Standardized_SMILES,Activity_Label
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2,0
Cc1ccc2nc(NN=Cc3ccc(C)s3)cc(C)c2c1,1
COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCN3CCCCC3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
CCC(=Cc1ccc(CC)cn1)CC,0
O=S(=O)(/C=C/C=C/S(=O)(=O)c1ccccc1)c1ccccc1,1
CC(=O)NC(C)(C)CC(C)(C)C,0
CC1=CCC(=O)C(c2cc(-c3cccc(Br)c3)c3c(=O)[nH][nH]c3c2)C1,1
Cc1ccc(N)nc1,0
O=C(NO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1,0
COc1cc2c(cc1O)C(C)C(c1ccccc1OC)O2,1
CC1(C)C2(C#N)C(=O)NC(=O)C12C#N,0
OCC=C1CCCCCC1,0
C=c1c(O)c(O)c(=C)c(N2CCOCC2)c1N1CCOCC1,0
N#C[C@@H]1[C@H](C#N)[C@H]2CC[C@@H]1[C@H]1[C@@H]2N1c1ccccc1,0
Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1/C=N/c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1,1
Cc1cccc(OCC(O)CN2CCCC2)c1,0
COC1(OC)C2(Cl)CCC1(Cl)C(Cl)=C2Cl,0
NC(=NO)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12,1
Cc1cccnc1NC1OC(=O)c2ccccc21,0
Br.CN(CCCNC(=O)Cc1ccc2ccc3cccc4ccc1c2c34)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12,1
c1ccc(CO[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCc2ccccc2)cc1,0
Clc1ncnc2[nH]cnc12,0
COc1ccc2nc3ccccc3c(NCCCCN(CCCl)CCCl)c2c1.Cl,1
CN(C)CCOc1ccc2c(c1)C(=O)C(=Cc1ncc([N+](=O)[O-])n1C)C2.O=S(=O)(O)O,1
COC(=O)c1ccc(O)c(CN(C)C)c1,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CN2,1
O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1,0
COc1cc2c3c(n(CCCNCCCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
COc1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1.O=S(=O)(O)O,1
S=c1oc(-c2cc(Cl)cc(Cl)c2Cl)nn1CNc1ccc(Cl)nn1,0
O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C([O-])C(=Cc2ccc(Cl)c(Cl)c2)C([O-])=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1,1
CCN(CC)CCCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12.Cl.[Cl-],1
O=P(O)(O)c1ccccc1Cl,0
COC(=O)C1(C(=O)OC)Cc2ccc(OC)cc2C2=C1C(=O)c1ccccc1C2=O,1
COCN1CC[C@@H]2N(COC)CC[C@@H]3N(COC)CC[C@H]1N23,0
CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3C[C@]4(CC[C@@]32C)OO[C@]2(CC[C@@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@H]5[C@@H]3C[C@H](OC(C)=O)[C@@]3(C)[C@H]5CC[C@H]3[C@H](C)CCC(=O)O)C2)OO4)[C@@H]2CC[C@@H]([C@H](C)CCC(=O)O)[C@@]12C,1
N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1,0
CCOC(=O)C(=Cc1cccnc1C)C(=O)OCC,1
CN(C)CCN=C1c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23.Cl,1
C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1,0
O=C1Nc2ccccc2SC1c1sc(=S)n(Cc2ccccc2)c1O,1
COc1cc(C=Cc2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O,1
Nc1cc(N)c2nc(-c3ccccc3)c(NCc3ccc(Cl)c(Cl)c3)nc2c1,1
O=C(O)C=CC(=O)Nc1ccc(C(=O)O)c(O)c1,0
CCN(CC)CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)cc1OC,1
CCOP(=O)(NC(C)(C)C)OCC,0
Cc1c(-c2ccc([N+](=O)[O-])cc2)[nH][nH]c1=O,0
CN(C)N=C1CN(c2ccccc2)N=CC1[N+](=O)[O-],1
CN(N=O)[C@H]1CCS(=O)(=O)C1,0
CC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,1
Oc1cc(Cl)cc2cccnc12,1
CN(C)C(=S)N=c1ssc(=S)n1Cc1cccs1,1
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C(=O)CO)O1,0
NC(=O)C(Cc1ccc(O)cc1)=Nc1c(Cl)c(O)c2c(O)ccc(O)c2c1O,1
O=C(/C=C/c1ccco1)c1ccc2ccccc2c1,0
CCCC[C@]1(CC)CO[P@@](=O)(OCC(Cl)(Cl)Cl)OC1,0
O=C1c2ccccc2C(=O)c2sc(Nc3cc(Cl)ccc3Cl)nc21,1
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCCCN(C)C)c2c1,1
Cc1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1,1
O=C(/C=C/c1ccccc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,1
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C=C(N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC,1
CC1=C2CCCCC2CCC1=O,0
Oc1csc(=S)n1/N=C/c1cccc(OCc2ccccc2)c1,0
Cc1c(C(=O)NCc2ccccc2)[n+]([O-])c2cc(F)ccc2[n+]1[O-],0
O=[N+]([O-])c1ccc(Br)nc1,0
CCC(C)NC(=O)c1cccc(C)c1,0
O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3ccccc3Cc3ccccc31)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,1
O=C1C=CC(=O)C(SCC(O)CO)=C1,0
N#CS/C(C(Cl)=C(Cl)Cl)=C(/Cl)[N+](=O)[O-],1
Nc1ccc2c(c1)C1(CCC2)NC(=O)NC1=O,0
N#Cc1cccc([N+](=O)[O-])c1,0
C[Sn](C)(C)SC(=S)N1CCOCC1,1
CN(CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1
COc1ccccc1/C=C1\CCC(CN(C)C)C1=O.Cl,1
Cc1c(C=C2CSc3ccc(Cl)cc3C2=O)c(=O)n(-c2ccccc2)n1C,0
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](SC(=N)N)C2.Cc1ccc(S(=O)(=O)O)cc1,0
O=S(=O)(O)c1ccc(NN=Cc2ccccc2Cl)cc1,0
CC(C)(C#N)N1CCN(c2ccccc2)CC1,0
COc1ccc(-c2cn(-c3ccc(Cl)cc3)c(=S)[nH]2)cc1OC,1
O=C(C=Cc1ccccc1)CC(c1ccccc1)N1CCOCC1,1
Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,0
Cc1c(N)ccc(-c2ccc(N)c(C)c2S(=O)(=O)O)c1S(=O)(=O)O,0
Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O,1
Oc1ccccc1C=Nc1ccc(Cl)cn1,0
Oc1cc(O)c(CN2CCOCC2)cc1CN1CCOCC1,0
S=c1[nH]cnc2c1ncn2C1CCCC1,0
On1c(-c2ccccc2)nc2ccccc2c1=S,1
Br.Cc1cc(C)c(N)c(Br)c1,0
CN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1.Cl,1
O=C(Nc1ccccc1C(=O)NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1,1
NCCCCCC(=O)O,0
O=[N+]([O-])c1oc2ccc3ccccc3c2c1CCO,1
Cc1ccc(C#CC(C)(O)C(C)(C)C)cn1,0
CC(=NNC(=S)N1CCCCC1)c1nc2cccnc2[nH]1,1
CCOC(=O)CCCCSCCCCC(=O)OCC,0
Oc1ccc(C=NNc2ccccn2)c(O)c1,1
NCCSP(=O)(O)O.[Na+],0
COc1cc2c(cc1OC)[C@@H](C)NCC2.Cl,0
COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3C(=O)N(C)C(Cc4ccc(O)c(c4)Oc4ccc(cc4)C3O)C(=O)NC(C)C(=O)NC(C)C(=O)N2C)cc1.COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)cc1,1
COc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC(=O)N1CCOCC1,1
CCCn1c(N)c(C(=O)CSc2n[nH]c(-c3ccccc3F)n2)c(=O)n(C)c1=O,0
N[P@](=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCBr)CCBr,1
COc1cccc(NC(=S)Nc2ccc(O)cc2)c1,0
C[C@H](O)[C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5O[C@]5(C)CC[C@@]4(COC(=O)C4O[C@]4(C)[C@@H](O)CO1)[C@]2(C)[C@]31CO1,1
O=C(O)CN1C(=O)c2ccccc2C1=O,0
CC(=O)OCC1OC(N2C(=S)C(C#N)C(c3ccccc3)C=C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,1
COc1cc(C2c3cc4c(cc3C(Nc3ccccc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(c1ccccc1)N(CCN1CCOCC1)C(=O)c1ccccc1,0
Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(C)c1,0
CCOC(=O)C(=NNc1ccccc1)C(C)=O,0
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,1
O=C(/C=C/c1cccnc1)/C=C/c1cccnc1,1
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCNCCO)c12,1
O=C(CCl)Oc1ccc(-c2ccccc2)c(Br)c1,0
COc1cc(C2c3cc4c(cc3C(Nc3ccc([N+](=O)[O-])cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(N=C1C(=O)c2ccccc2C(=O)C1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21,1
COc1ccc(C(=O)COc2ccc(/C=C3/Oc4cc(OC)ccc4C3=O)cc2)cc1,0
COc1cc2c(c(OC)c1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O.Cl,1
C1=N/CCN2CCN(CC/N=C/c3ccccc3OCc3cccc(n3)COc3ccccc3/1)CC2,1
Nc1cccc(NC(=O)C(=O)Nc2cccc(N)c2)c1,0
C=CCOc1c(Cl)cccc1Cl,0
Cc1[nH]n(-c2nc(-c3ccco3)c(C#N)c(=O)n2C)c(=O)c1N=Nc1ccc(C(=O)O)cc1,0
O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1,1
CC(C)(C)OC(=O)N1Cc2cc3ccccc3nc2[C@H]1CO,0
Cc1ccc(C2COc3cc(O)c(O)cc3C2)cc1,1
Cc1nc(Sc2nc3ccc([N+](=O)[O-])cc3s2)sc1C,1
CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)ccc2O)cc1,1
CCC(=O)Nc1cc(C)ccc1C,0
CCOc1ccccc1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(=O)C1Cl,1
CCN(CC)CCN(C(=Nc1ccccc1)N1CCCCC1)c1ccccc1,1
CCN(CCO)c1ccccc1,0
O=c1[nH]c(Cc2ccccc2)c(O)n1Cc1ccccc1,0
Cc1ccc(C[C@]2(c3ccccc3)NC(=O)NC2=O)cc1,0
N#CCc1[nH]nc(N)c1C#N,0
Cl.[N-]=[N+]=NCc1nc(N)c2c3c(sc2n1)CCCC3,1
C#CCOCC1CNC(=S)O1,0
O=C1CCCCC1Sc1ccc(Cl)cc1,0
C[C@H]1C=C(C[C@@H](O)CC#CC#CCCCCC[C@@H](O)[C@H]2CCC(=O)O2)C(=O)O1,0
O=C1N=C(Oc2ccccc2)SC1=O,0
Oc1c(C=CCc2ccc(C3CCCCCC3)cc2)c(O)c2ccccc2c1O,1
O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1,0
Nc1nc(-c2ccccc2)c(CC(=O)O)s1,0
CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1C(C)(C)CO,1
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,1
COc1ccc(C(=NN=C(N)N)c2ccc(OC)cc2)cc1,1
Cn1c(=O)c(C#N)c(-c2ccccc2)n2c(SC[C@@H](O)CN3CCOCC3)nnc12,0
CC(=O)Oc1ccc(Br)cc1C(=O)O,0
COc1cc([N+](=O)[O-])c2ncccc2c1O,1
O=S(=O)(c1ccc(NC(=S)NN=Cc2ccccc2O)cc1)N1CCCCC1,1
O=C(OCCc1ccccc1)c1ccccc1O,0
O=C1C(=Nc2cccc(O)c2)C(Cl)C(=O)N1Cc1ccc(Cl)cc1,1
NC(=O)c1cc(C(N)=O)nc(Cl)n1,0
NC(=S)NN=Cc1nccc2ccccc12,1
COc1cc2c(cc1OCc1ccccc1)N=CC1C[C@@H](O)CN1C2=O,1
COC(=O)CCC1(C(N)=O)CCC(=O)c2ccccc21,0
COc1ccc(C(=O)COc2ccc(/C=C3\Oc4ccccc4C3=O)cc2)cc1,0
CN(C)CCSc1cccc(-c2cc(-c3cccc(SCCN(C)C)c3)nc(SCCN(C)C)n2)c1,1
COc1cc2c(c(OC)c1OC)-c1cc(I)c(O)cc1C(NC(C)=O)CC2,1
Cn1c(C2=CC(=O)c3ccccc3C2=O)c(C2=CC(=O)c3ccccc3C2=O)c2ccccc21,0
Cc1[nH]n(-c2nc(-c3ccco3)c(C#N)c(=O)n2C)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1,0
O=C1NC(=O)c2c1cccc2[N+](=O)[O-],0
Nc1cccc(N)c1,0
CCCC(C)CC(C(=O)OCC)C(=O)OCC,0
Cc1ccccc1C(O)(c1ccccc1)c1ccccc1C,0
COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2,1
CCOC(=O)Nc1ccc2nc(Sc3ccc(Cl)cc3)sc2c1,1
C=C(CN1CCN(c2ccc(Cl)cc2F)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
Cc1ccc(C(CN(C)C)C(=O)c2ccccc2)cc1,1
Cn1c(=O)c2nc(SCCO)n(C)c2n(C)c1=O,0
CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)C(=NC(C)=O)C1=N,1
Cc1nn(-c2ccccc2)c2c1CC(=O)Nc1ccccc1-2,1
COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCO)CCN=1,1
CCCC[C@]1(CC)CO[C@H](c2ccccc2)OC1,0
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21.Cl,1
CCCCCCCCCCCCCCCC(=O)NC1CCc2cc(O)c(O)c(O)c2-c2ccc(SC)c(=O)cc21,1
Nc1nc(Cl)c(C=O)c(NC[C@]2(CO)C[C@@H](CCc3ccccc3)C2)n1,1
Oc1ccc(N=Nc2nccs2)c(O)c1,1
CCCCC1Nc2nc(SC)n(C)c(=O)c2CN(Cc2ccccc2)C1=O,0
Cc1cccc2c(=O)cc(-c3ccccc3)[nH]c12,1
c1ccc(C(=NNc2cnc3ccccc3n2)c2ccccn2)cc1,1
Cc1c[nH][nH]c1=O,0
Cn1c(=O)c(C#N)c(-c2ccccc2)n2c(SCc3ccccc3)nnc12,0
CC(C=NNc1ccc([N+](=O)[O-])cn1)=Cc1ccccc1,0
O=C(NN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1,0
CN(C)CCNc1ccc2nnn3c4ccc(Cl)cc4c(=O)c1c23,1
CCN1CC[C@](O)(/C=C/c2ccccc2C)C(C(=O)/C=C/c2ccccc2C)C1.Cl,1
COc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1,1
Cl[C@@H]1[C@H](Cl)[C@@]2(Cl)C(c3ccccc3)=C[C@]1(Cl)C2(Cl)Cl,0
O=C(/C=C/Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1,1
N=c1oc2cc(O)ccc2cc1C(=O)Nc1cccc2ccccc12,1
O=C(O)c1ccccc1C(=O)c1ccc2oc(=O)[nH]c2c1,0
CN1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1,1
CN(C)CSCCO,0
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(=O)O,1
CCCCc1c2c(nc3c1CCC(=Cc1ccccc1)C3=O)CCCC2,1
COC(=O)C1=C(C)C(=O)CC1,0
COc1ccc(Cl)cc1NC(=O)O/N=C(\Cl)C(C)C,1
CCOC(=O)N(C1CCCCC1)C1CCCCC1,0
COc1cc([C@H]2c3cc4c(cc3[C@H](NCc3ccc(F)cc3)[C@@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CC(=NNC(=[SeH])N1CCN(c2ccccn2)CC1)c1ccccn1,1
CC(NNC(=S)N1CCN(c2ccccn2)CC1)c1nccc2ccccc12,1
Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C([C@@H](C)O)C(=O)O[C@H]2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C([C@@H](C)O)C(=O)O[C@@H]3C)c1=N2,1
CCN(CC)CCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23,1
O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1,0
O=C(O)CN1CCS/C1=N\C(=O)c1ccc(Cl)cc1,0
NC(=S)NN=C1c2ccccc2-c2c(F)c(F)c(F)c(F)c21,1
CC(C)(C)OC(=O)N1C(c2cccnc2)=CC[C@@H]2[C@@H]1CC[C@]1(C)C(c3cccnc3)=CC[C@@H]21,1
CC(C)CCC(C)(C)O,0
CCCCCC1=C(C)C=C(C)C[C@]1(C)CN(C)C,0
O=c1cc(-c2ccccc2)[nH]c2cc(-c3ccco3)nn12,1
CCCC[Ge](CCCC)(CCCC)OC(=O)CCl,1
CCOC(=O)C1(C#N)Cc2ccccc2C1,0
CCCCCCC(C)NCC(C)(C)O,0
CC(=Nc1c(Cl)c(O)c2c(O)ccc(O)c2c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1,1
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-],1
Cc1cc(C)cc(C(C)(C)C)c1,0
CC[C@]12C=CCN3CC[C@]4(C(=Nc5ccccc54)C(C(=O)OC)[C@@H]1Nc1ccn([C@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c(=O)n1)[C@@H]32,1
CN(C)CCNC(=O)c1ccc(Nc2nc3ccccc3c3occc23)cc1,1
O=C(c1ccccc1)C(CN1CCOCC1)c1ccccc1,1
Cc1c(/N=N/c2ccccc2)c(-c2ccccc2)n([C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(=S)c1C#N,1
CCOC(=O)CN1C(=O)C(=O)c2ccccc21,0
COC(=O)C1C(C)=Nc2c(N)ncnc2N[C@@H]1c1ccccc1,0
O=C(O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1,0
CC1=CCCC1,0
CC(C)CC(CC=C1CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C,1
Nc1ncc(Br)cn1,0
O=C(O)c1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1O,1
Cc1ccc(NC(=O)N2CCOCC2)cc1NC(=O)N1CCOCC1,0
Oc1c(I)cc(I)c2cccnc12,1
O=C1CCCCC1Nc1ccc(Br)cc1,0
O=C(OCc1ccccc1)c1ccccc1,0
CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1.[Cl-].[H+],0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Br,1
O=[N+]([O-])c1cc[n+]([O-])cc1,0
NC(=O)CN1CCN(c2nc(N3CCCC3)c3nc(Cl)c(NCc4ccccc4)nc3n2)CC1,1
O=S(=O)(Cc1ccccc1)c1ccccc1,0
COc1ccc(OC)c(/C=C/c2ccnc3ccccc23)c1,1
O=C1C(Br)=C(Br)C(=O)C1(Br)Br,0
Cc1ccnc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1,1
COc1ccc([N+](=O)[O-])cc1C(F)(F)F,0
O=C1NC(=O)C(=Cc2c(Cl)cccc2Cl)C(=O)N1,0
CN(C)CCN=C1C(=O)c2c(O)ccc(O)c2C(=O)C1Cl.Cl,1
CC(=O)Oc1ccccc1C(=O)c1c2cccc(O)c2c(O)c2c(O)cccc12,1
NC(=S)NN=C1CSSC1,1
CCOC1=CC(=O)OC(c2ccccc2)C1,0
Nc1nc(SN=Nc2ccc(S(N)(=O)=O)cc2)c2[nH]cnc2n1,1
COc1ccc(CNC2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)c(OC)c1OC,1
COc1ccccc1C=NNc1ccc([N+](=O)[O-])cn1,0
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]21OCC1=O,0
C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1CC(Br)C2=O,1
O=C(OCCSCCCl)c1ccccc1,0
c1ccc(CCCCNCc2cc(CNCCCCc3ccccc3)cc(CNCCCCc3ccccc3)c2)cc1,1
N#Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nn(CCO)c1=O,1
O=C1c2ccccc2C(=O)N1OCCCN1C(=O)c2ccccc2S1(=O)=O,0
COC1=CC2=C(CC1=O)C(C)Cc1cc3c(cc1N(C)CC2)OCO3.Cl,1
O=C(N=C(c1ccccc1)c1ccccc1)c1cccc(C(=O)N=C(c2ccccc2)c2ccccc2)c1,0
C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.Cl.[Fe+8],1
CCOc1nc(OCC)c2[nH]c(C(=O)O)c(Br)c2n1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cccc(CO)c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(O)c1cccc2c1-c1ccc(Cl)cc1C2,0
CCC(c1ccccc1)C(CC)c1ccc(O)c(O)c1,0
O=C(CF)NC(Cc1ccccc1)C(=O)O,0
Cc1c(Cl)cccc1N=C1C(=O)N(Cc2ccccc2)C(=O)C1Cl,1
CC(=O)C1=NN(c2ccccc2)[C@H]2[C@H]3N(c4ccccc4)N=C(C(C)=O)N3c3ccccc3N12,0
Cc1cc2oc(/C=C/c3ccc(Cl)cc3)cc(=O)c2c(C)c1Cl,0
CCN(CC)CCNC(=O)C1(c2ccccc2)CCCCC1,0
CCC1(CC)COP(=O)(OC[C@@H](Cl)CCl)OC1,0
Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1.[Cl-].[H+],1
O=C(C[C@@H](O)c1ccccc1)Nc1ccccn1,0
CN(C)c1ccc(/C=C(\C#N)c2ccccc2)cc1,1
COc1ccc2c(c1)CN([C@@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2,1
COc1cc2ccccc2c2cc([N+](=O)[O-])oc12,1
CC(=O)C1Cn2c(nc3ccccc32)C[Se]1,1
O=[N+]([O-])C(=C(N1CCOCC1)N1CCOCC1)/C(Cl)=C(\Cl)[N+](=O)[O-],1
O=C(Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1,0
COc1cccc2c1[C@H](CCCC(=O)O)CCC2,0
C=C(C)C(O)C(O)CC(C)C1CCC2(C)C1=CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CC(OC3OC(COC(C)=O)C(O)C(O)C3O)C12C,1
COc1ccc2nc(-c3ccccc3)cc(Nc3ccc(C(C)=O)cc3)c2c1,1
CCC[C@H]1O[C@@H](CCc2ccccc2)OC[C@@H]1CC,0
C=CCOC(=O)C(Br)CC,0
N#CC(=Cc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1,1
CC1CN(C(C)C)C(=S)NC1=O,0
Cc1c2cc[nH]cc2c(C)c2c1nc1ccc(Cl)cc12,1
COc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1,0
O=C1NCCN1/N=C/c1c(Cl)nc2n1CCS2,0
NC(=S)NN=Cc1ccc(N)cn1,1
CC1([N+](=O)[O-])COC(c2ccccc2)OC1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C(C)N.Cl,1
Cc1ccnc2[nH]c(-c3ccccc3)cc(=O)c12,1
Cc1cc(=O)n2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2n1,1
O=c1c2ccccc2c(=O)c2c1[nH]c1c(-c3ccccc3)c(-c3ccccc3)c(=O)c12,1
OCC1CCCO1,0
CO[C@@H]1C[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O1,0
O=C(O)C[C@@H]1CCc2ccccc21,0
CC(=O)O[C@H]1CC[C@@]2(C)C(=O)C=CC3=C(C)C(=O)C(C3)[C@@H](O)C[C@@H]2C1(C)C,1
O=c1cc(O)n2c(n1)SCC2,0
COc1ccc2c3c1O[C@@H]1[C@H](F)C=C[C@]4(O)[C@H](C2)NCC[C@@]314.Cl,1
C[C@H](O)C1C(=O)N2C(C(=O)O)=C(S[C@@H]3CNC(C(=O)N(C)C)C3)[C@H](C)C12.O.O.O,0
CC1=NC(=S)N[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)Nc1ccc(F)c(Cl)c1,1
CC1=NN(c2ccccc2)C(=O)C1=Cn1cc(O)[nH]c1=S,0
O=CC(=O)c1ccccc1,0
CC(=O)O.OCCNCCN=C1C=CC(=NCCNCCO)c2c1c(O)c1ccccc1c2O,1
CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)C=C(C(=O)O)C1=O,0
CCCCCCCCC=CC1CCC(CN2CCOCC2)C1=O.Cl,1
CCN(C(=O)Nc1cccc2ccccc12)c1ccccc1,0
CCOC(=O)c1ccc(C(=O)O)cc1OC,0
Cn1c(=O)c2[nH]c(C=Cc3ccc4c(c3)OCO4)nc2n(C)c1=O,0
CCn1c(N)cc(=O)[nH]c1=S,0
O=c1cc[nH]c(Nc2ccc(Cl)cc2)n1,0
COC(=O)C1=CCCCC(N2CCOCC2)=C1C(=O)OC,0
CCCCCCCCCCCCO[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@H](CO[C@@H]1O[C@@H]([C@H](O)CO)[C@@H]2OC(C)(C)O[C@H]12)OC(=O)Nc1ccccc1,1
COc1cccc(OC)c1OC(=O)c1ccccc1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)C3C(=O)OC[C@@H]32)OCO4)cc1,1
CCCCCCCCC[C@]1(CC(=O)OCC)SCCN1C(N)=O,0
C1=C(N2CCCC2)CCC1,0
O=C(O)c1cnnc2ccccc12,0
O=C(O)C1(O)CC(O)C(O)C(O)C1,0
Clc1ccc(-c2nnc(Cn3nnc4ccccc43)o2)cc1,0
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)n1,0
CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(Br)cc3)nc12.Cl,1
CCCCCCCCCCCCCCCCCC1=NCCN1CCOC1=C(Cl)C(=O)c2ccccc2C1=O,1
Cc1c(C(=O)CCl)c(=O)n(-c2ccccc2)n1C,1
O=C(O)Cc1cccc([N+](=O)[O-])c1,0
COC(=O)c1ccc(Cl)cc1OC,0
CS/C(=N\C(=S)N(C)C)N(c1ccccc1)c1nc(N(C)C)s[s+]1.[I-],1
C#CCCCCC#CC1CCCC1=C1CC(=O)c2ccccc21,1
COc1cc(C2(C)SCCCS2)cc(OC)c1OC,0
C[C@]1(N=Cc2cc(Cl)ccc2O)CO[P@@](=O)(NC2CCCC2)OC1,0
O=C1C(=Nc2cccc(Cl)c2)C(Cl)C(=O)N1Cc1ccc(Cl)cc1,1
O=C(O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O,0
CO[C@@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(NCCN(C)C)c(c2O)C=C(C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(\C)[C@H]1OC(N)=O.Cl,1
COc1cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)cc(OC)c1OC,1
Cc1c(-c2c(Cl)cccc2Cl)noc1CN(C)C,0
Cc1ccc(C(=NN=C(N)N)c2ccc(C)cc2)cc1.Cl,1
CCCCn1cnc2c(=S)[nH]c(N)nc21,0
O=c1[nH]c(=S)[nH]cc1Oc1ccc(Cl)cc1Cl,0
BrCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr,0
CN(C)CCNC(=O)c1cc(Cl)cc2ccc(-c3ccccc3)nc12.Cl,1
CN(C)CCO[C@]1(Cc2ccc(F)cc2)CC[C@H](C(C)(C)C)CC1.O=C(O)/C=C/C(=O)O,1
Cl.O=C1C(=Cc2ccc(O)cc2)CCCC1CN1CCCCC1,1
COc1cccc(-c2cc(=O)c3cc(OC)ccc3[nH]2)c1,1
O=C1c2ccccc2C(=O)N1Cc1cc(Br)ccc1O,0
O=C1CCCCN1CCCCC#Cc1ccccc1C#Cc1ccc([N+](=O)[O-])cc1,1
O=c1oc2ccccc2c(=O)c2ccccc12,0
O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1,0
CCOC(=O)C(C)(C)C(C)=O,0
Cl.N=c1ccn2c(n1)O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H]12,1
O=C(CN1CCNCC1)N1CCCC1,0
O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,1
O=C(NCc1ccco1)c1ccc(C(=O)NCc2ccco2)cc1,0
CCCCCCCC(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C(=O)N[C@@H](CO)CC(C)C)[C@H](C)CC,1
O=c1cc(O)[nH]c(=O)n1-c1ccccc1,0
C#C[C@]1(O)[C@H](O)[C@@H](n2ccc(N)nc2=O)O[C@@H]1CO[P@](=O)(O)O[C@@H](COCCCCCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-],1
Nc1c(Cl)cc2c(c1Br)C(=O)c1ccccc1C2=O,0
COc1ccc(C(=O)/C=C/c2cccnc2)cc1OC,1
O=C1C(=NCCF)C(Cl)C(=O)c2cccnc21,1
NC(=O)c1c(Br)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12,1
CC(=O)Oc1ccc(C=NNC(N)=S)nc1,1
Cc1cccc([N+](=O)[O-])c1N,0
CC(C)N1CCSC1=S,0
CNC(=O)Oc1ccc(SC)c(C)c1,0
CCCCc1c(O)[nH]c(=O)[nH]c1=O,0
CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3ccc(Cl)cc3)nc2s1,1
CCCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@@H](O)C[C@H](O)[C@H](O)[C@@H](C)O)co1,1
C=CCCC1(C(C)C)C(=O)NC(=S)NC1=O,0
CC(=O)O[C@@H]1C[C@]2(C)C(C(C)=O)CC[C@H]2[C@@H]2CC=C3CC(=O)CC[C@]3(C)[C@H]21,0
NNc1ccc([N+](=O)[O-])c2[nH][nH]c(=O)c12,0
CC(=O)Nc1ccc(-c2csc(Nc3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1,1
COc1cc(CN(C)C(=O)C(=O)c2c[nH]c3ccccc23)ccc1O,0
N=C(N)SCc1ccccc1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccccc3C(=O)c3ccccc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
Cc1ccc2c(c1)[n+]([O-])c(C(F)(F)F)c(C(=O)c1ccco1)[n+]2[O-],1
O=C(O)CN(CC(=O)O)Cc1ccccc1,0
O=C1NC(=O)C(=Cc2cccs2)C(=O)N1,0
COC1=CC(=O)c2c(c(COC(C)=O)cn2C)C1=O,1
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
COc1cccc([C@@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@H]2C)OCO4)c1O,1
NC(=O)C1(NC2CCCCC2)CCNCC1,0
CN(C)Cc1c[nH]c2cc([N+](=O)[O-])ccc12,0
CCCCNS(=O)(=O)c1ccccc1,0
S=C(NN=Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1,1
CC(=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1,0
CC(C)(C)c1cc(C(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O,1
COc1cc([C@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.[Na+],0
CC1=C[PH](c2ccccc2)(c2ccccc2)c2ccccc2O1,1
O=C(C=Cc1ccccn1)c1ccccc1O,1
C=CCc1c[nH]c(=O)[nH]c1=O,0
Cc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1,0
CSc1nc2c(=S)[nH]c(=S)[nH]c2s1,0
CN(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1,0
CCCC(=O)C(C)(C)C(C)=O,0
O=[N+]([O-])c1ccc(C(Nc2ccccc2)c2ccc3cccnc3c2O)cc1,1
CCC(=O)C[C@@H](O)C[C@@H](C)CC(NC(=O)C1C[C@H](C)CN1C(=O)/C=C/[C@H](C)CC)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@H](C)CN(C)C)[C@H](O)C(C)C,1
N#CCc1nn(-c2ccccc2)c2ncnc(N)c12,0
C(=NNc1nn[nH]n1)c1ccccc1,0
C1C[C@@H]2NCC[C@@H]3NCC[C@H](N1)N32,0
COc1cc(C2=C3C(=O)OCC3[C@H](Nc3ccc([N+](=O)[O-])cc3)c3cc4c(cc32)OCO4)cc(O)c1O,1
CCCC[Sn+2]CCCC.Nc1ccc(C(=O)[O-])c([O-])c1,1
Cn1c(=O)c(C#N)c(-c2ccco2)n2c(SCC(=O)c3ccccc3)nnc12,0
CN(C)S(=O)(=O)n1cnc([C@H]2c3c(ncn3Cc3ccccc3)C[C@H]3COC(=O)C32)c1,0
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,1
CCOC(=O)CCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OCC,0
Cl.c1ccc2c(c1)Nc1ccccc1[PH]21c2ccccc2Nc2ccccc21,1
CC(N)C(O)=NO,0
Cc1cccc(-c2cc(=O)c3c(C)ccnc3[nH]2)c1,1
O=C1C2=C(C(=O)c3c(O)ccc(O)c31)C(O)C(O)C(O)C2,1
Cc1nc(Cl)c(CBr)c(Cl)n1,1
O=C(CCC1CCCCC1)OCc1ccccc1,0
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1,0
O=c1cc(CO)[nH]nc1CO,0
CC(=O)NN1C(=O)c2ccccc2C1=O,0
CCN(CC)CC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,1
O=C1C(=NCCc2cc(Br)c(O)c(Br)c2)CC(=O)c2ncccc21,1
Oc1ccccc1C=NNC(=S)Nc1ccc(F)cc1,1
O=C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cccnc1,0
C=CCN=C=S,0
COC(=O)C(OC(=O)NS(=O)(=O)N(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C,0
C=C1CC(COc2ccc3c(C)c(C)c(=O)oc3c2C)(c2ccccc2)OC1=O,1
O=CC1(C2(C=O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21,1
CCOC(=O)c1ccc(N(C=O)CCC(=O)CCl)cc1,1
CC(=O)Nc1cccc([N+](=O)[O-])c1,0
Cc1ccc(SC2=C(N(C)C)C(=O)c3ccccc3C2=O)cc1,1
Oc1csc(=S)n1/N=C/c1ccc(OCc2ccccc2)cc1,0
Cc1cc(C)n(C(=O)c2cnn(-c3ccc(S(N)(=O)=O)cc3)c2N)n1,0
C[C@H](O)C(NC(=O)OCc1ccccc1)C(=O)O,0
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1,0
O=C(Nc1ccccc1F)c1cc2ccc(O)cc2oc1=Nc1cccc(C(F)(F)F)c1,1
CN(C)C(=O)c1ccccc1,0
Nc1c2c(=O)[nH]c(=O)c2c(N)c2c(=O)c3ccccc3c(=O)c12,1
COc1ccc(C(=O)COC(=O)C(C[Se][Se]CC(NC(=O)c2ccc(Br)cc2F)C(=O)OCC(=O)c2ccc(OC)cc2)NC(=O)c2ccc(Br)cc2F)cc1,1
COCC(C)OC(=O)c1ccccc1,0
ClC1=CN(C2=NCCC2)CC1,0
O=C(Nc1[nH]c(=O)ncc1F)c1ccc([N+](=O)[O-])cc1,0
CCOC(=O)C(/C=C/C(C)C)(C(=O)OCC)C(C)C,0
COc1ccccc1-n1cnc(N)c1C(=O)c1cc(OC)c(OC)c(OC)c1,1
O[C@H](c1ccc2ccccc2n1)c1c(Cl)cccc1Cl,0
Cn1ncc2c(Nc3ccc(O)cc3)nc(Cl)nc21,0
C=CCc1cc(Cl)ccc1OC(=O)Nc1cccc(Cl)c1,0
CC(C)C(=O)OCCCOCCCOc1ccccc1,0
Nc1ncnc2scnc12,0
CCN(CC)CC(C)Nc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12,1
CCOC(=O)/C(C#N)=C\N1CCNc2ccccc21,0
O=c1oc2ccccc2cc1-c1cn2cc(Cl)ccc2n1,1
C[C@@H](O)CCc1ccc(Oc2c3ccccc3nc3occc23)cc1,1
Cc1cccc(N2CCN(CC(=O)Nc3cc4c(cc3N3CCOCC3)C(=O)NC(Cc3ccccc3)C(=O)N4)CC2)c1C,1
Cc1cc(C)nc(SC2C(=O)N(Cc3ccccc3)C(=O)C2=Nc2cccc(C(=O)O)c2)n1,0
Cc1cc(-c2ccccc2)cc(C)n1,0
Clc1ccc(CSc2ncnc(SCc3ccc(Cl)cc3Cl)c2Br)c(Cl)c1,0
Cc1cnc2[nH]c(-c3ccc(Cl)cc3)cc(=O)c2c1,1
COc1cc(N)ccc1NC(C)=O,0
O=c1[nH]c2c(ccc3cnccc32)c2c1CCC2,1
O=[N+]([O-])C(=C(Sc1ccccc1)Sc1ccccc1)C(Cl)=C(Cl)Cl,1
CCOC(=O)C(=Cc1ccc(C#N)cc1)N(CC)CC,0
CSc1nc(NC(C)C)c2c(n1)Sc1nc3ccccc3n1[C@@H]2O,1
CC(=O)CCC=C(C)CCC=C(C)C,0
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cc3ccccc3o2)nc1SCC(=O)c1ccc(Cl)cc1,0
O=C(CC(O)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1,0
Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3[n+]([O-])c3ccccc23)cc1,1
COCCN1CCC(CO)C1,0
CC(C=NNC(=S)N(C)C)=NNC(=S)N(C)C,1
CCN(CC)C[C@H](O)CNc1ccc(NC[C@@H](O)CCl)c2c1C(=O)c1ccccc1C2=O.Cl,1
COC1(OC)C=CC(=O)C=C1,1
S=C(NCCc1ccccn1)NN=Cc1ccccn1,1
O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1,1
Cn1c(O)c(-c2ccccc2)c(=O)n(C)c1=O,0
CCOC(=O)C1=C(C)OC(=O)C[C@H]1C,0
COC(=O)C1C(=O)C(C(=O)OC)[C@]2(O)C(C(=O)OC)[C@H]1C[C@@H](c1ccc(Cl)cc1)C2C(=O)OC,1
COc1cc(/C=C\c2ccc(Br)cc2)cc(OC)c1OC,1
COc1ccc(C2C=C(c3ccc4c(c3)OCO4)Oc3c2c(=O)oc2ccccc32)cc1OC,1
CSc1nc(/N=C/c2ccccc2)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1,0
COc1cc2c(cc1OC)C(=O)C(=O)CC2=O,0
O=C(CC(CC(=O)c1ccccc1)c1ccccn1)c1ccccc1,0
CCCCOc1ccc(Nc2cc(Cl)ccc2C(=O)O)cn1,0
COc1ccc2ccccc2c1[C@H]1NC(=O)c2ccccc2N1,1
Cl.N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,0
O=C(O)c1ccc(C(O)c2ccccc2)cc1,0
CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O,1
CC(C)=CC=c1ccc2c(c1)-c1c(O)c(O)c(C)c([C@H](O)[C@H](C)O)c1N=2,1
Cc1cc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)ccc1N(C)C.[Cl-],1
CSc1ncnc2[nH]nnc12,0
O=C(O)c1cc(=O)c2ccccc2o1,0
CCCCNC[C@@H]1CCCO1,0
c1ccc(P(=C2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)c1ccc(C#N)cc1)CC2,1
CC1N=C(SCC(=O)c2ccc(Cl)cc2)N2C(C)N=C(SCC(=O)c3ccc(Cl)cc3)N12,0
Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],0
S=c1[nH]cnc2[nH]cnc12.S=c1[nH]cnc2[nH]cnc12,1
CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(F)cc1)c1ccccc12.Cl,1
O=C(CCc1ccc(O)cc1)NN=Cc1cc(Br)ccc1O,1
CC(=NNC(=S)N1CCCCCC1)c1ccccn1,1
CC(=O)CC(=O)Nc1nc(C)cs1,0
CN(C)CCC(CCN(C)C)c1ccccn1,0
C=C(c1cccc(OC)c1)c1sc(=S)[nH]c1O,0
O[C@]1(c2ccc3ccccc3c2)c2c(c3ccccc3c3ccccc23)C2=NCCN21,1
CN(C)c1ccc(C=NNC(=O)c2cccc3ccccc23)c(Cl)c1,1
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)ccc1OCCCn1ccnc1,1
CC(NC(N)=S)c1ccccc1,0
CC(C)(c1ccccc1)c1cc(O)c(C(C)(C)c2ccccc2)cc1O,1
COc1ccc2c(c1)CCc1c(CO)c(COC(=O)NC(C)C)n(C)c1-2,1
O=c1oc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12,0
C=C(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1,1
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3F)cnc2n1.O=C(O)C(F)(F)F,1
Cc1nn(-c2ccccc2)c2c1oc(=O)c1cc(Cl)ccc12,0
C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.O=C(O)C(O)C(O)C(=O)O.[Co+9],1
Cc1ccc(SCCCN(C)C)cc1,0
Cc1ccc(Nc2cc(O)c(NO)c3ccccc23)cc1,1
C=CCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1,0
CCC1(CC)SC(=N)NC1=O,0
COc1cc(C2c3cc(O)c(OC)cc3CC(C(=O)O)C2CO)ccc1O,0
c1ccc2c(c1)Nc1cc3ccccc3cc1O2,0
Cl.NCCSSCCN,0
N=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccn1,1
OCCNN=Cc1ccncc1,0
CCOC(=O)CCCCl,0
CCOC1=C(c2ccccc2)N2CCCC[C@H]2O1,1
CC(C)(C)N1CC(O)C1.Cl,0
COc1ccc(-c2nc(-c3ccc(C)cc3)cn3ccnc23)cc1,1
C/C=C(\CC[C@@H]1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2,1
N#CC(c1ccccc1)c1ccc(N=O)c(Cl)c1,1
C[C@@H]1CN1[P@]1(=O)OC[C@](C)([N+](=O)[O-])CO1,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(=O)c4c(-c5ccc(O)cc5O)nc(SCc5ccccc5)nc4[nH]3)cc2)n1,0
C[C@@H](O)c1ccc(Sc2ccccc2)cc1,0
O=C1C(=Cc2ccc(O)cc2)CCC1CNc1ccc(Cl)cc1,1
O=C1C=C(c2c(O)ccc3ccccc23)c2ccccc2C1=O,1
NC(=O)/C=C\C(N)=O,0
CC(=O)C(=NNc1ccc(-c2ccc(NN=C(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C,0
Cn1ccc(=S)c2ccccc21,0
COc1cc2c(cc1O)CCN[C@@]21CS[C@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H]2[C@H]2N[C@H](Cc3cc(C)c(OC)c(O)c32)[C@@H]1C#N)OCO4,1
CS(=O)(=O)c1nccc2ccccc12,0
CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@@H]3[C@H]54)C1,0
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Cl-],1
CCN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)CC,0
CCOC(=O)C#Cc1ccc([N+](=O)[O-])cc1,1
COc1ccc(C2=C[C@H](c3ccc(OC)c(OC)c3)c3c(c4ccccc4oc3=O)O2)cc1OC,1
CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.Cl[Sb](Cl)Cl,1
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)nc1N,1
CCCCCCCCCCOC(=O)c1ccc(Cl)cc1,0
O=C1OCC(Cl)=C1Cl,0
O=C1O[C@H]2CC[C@H]3SCC1N23,0
N=C(NN=Cc1ccc(O)cc1O)C(=N)NN=Cc1ccc(O)cc1O,0
NC(=O)c1cc(Br)cc(C2CCCCC2)c1O,0
CN1CC(=Cc2ccccc2[N+](=O)[O-])C(=O)C(=Cc2ccccc2[N+](=O)[O-])C1.Cl,1
CCOC(=O)C1C(=O)NC(C(=O)OCC)(C(=O)OCC)C1CC,0
O=C(Oc1ccccc1)N(c1ccccc1)c1ccccc1,0
Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-],0
Cc1c2cccc-2c(OCCOC(=O)n2ccnc2)cc2c1[nH]c1ccccc12,1
CCN1CCNc2c3cc(OC)ccc3nc3c([N+](=O)[O-])ccc1c23,1
CC1=C(N2CC2)C(=O)c2ccccc2C1=O,1
CNc1ncnc2c1cnn2[C@@H]1CCCCO1,0
COc1cc2c(cc1O)C(C)[C@@H](c1ccc(OC)c(OC)c1)O2,1
CC(C)(C)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,0
CN(C)S(=O)(=O)n1cnc([C@@H]2C3C(=O)OC[C@@H]3C[C@]23N=CN(Cc2ccccc2)C3=O)c1,0
COc1cc(/C=C2\N=C(c3ccccc3)N(c3cc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc(OC)c1OC,1
CCCC1(CCO)C(=O)NC(=S)NC1=O,0
CN(C)P(=O)(N[C@H](NC=O)C(Cl)(Cl)Cl)N(C)C,0
ON=C1c2ccccc2-c2ccc(Br)cc21,0
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCC(=O)O,1
COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)C(=O)C2CCC(=O)C2C)c1,0
Nc1cc(OCc2ccccc2)ccc1OCc1ccccc1,0
OCC(O)C(O)C(O)C(O)CO,0
CC(C)CCCC(C)NC(C)C,0
O[C@@H](CNCCN1CCNCC1)Cc1ccccc1,0
CCCCCC(Cl)(CCCC)CCCCC,0
CCOC(=O)NC(C)(C)CN(C(=O)OCC)c1ccccc1,0
COC1CC(=O)C2OC(c3ccccc3)OCC2O1,0
COc1ccccc1NC(=O)C1=C(C)N=C(C)C(C(=O)Nc2ccccc2OC)C1c1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)N=C(C)C2C(=O)Nc2ccccc2OC)cc1,1
O=CCCCC(=O)CO,0
Cc1cc2[nH]cnc(=O)n2n1,0
O=C(Nc1ccn(C2CCC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1,1
Cc1ccc(CN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC(C)(C)C)c2ccc3c(c2)OCO3)o1,0
O=C1OC(=C(c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)C(=O)C1c1ccc(Cl)cc1,1
O=[N+]([O-])c1ccc(Cl)cc1P(=O)(O)c1cc(Cl)ccc1[N+](=O)[O-],0
CC1(C)CCC(C)(C)c2cc3c(cc21)C(C)(C)CCC3(C)C,0
CC(C)C(=O)NC1CCCCC1,0
CNCCc1ccccn1.[Cl-].[Cl-].[H+].[H+],0
C[C@@H]1[C@H](c2ccccc2)OCN1C,0
COc1ccccc1OC(=O)Oc1ccccc1OC,0
Cc1ccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Sc2ccc(Cl)cc2)cc1Cl,1
O=[N+]([O-])c1ccc(F)cc1F,0
O=c1[nH]nnc2ccccc12,0
Cc1[nH]ccc2cc3nc4ccccc4c3cc12,1
O=C1CN[C@@H](c2ccccc2Cl)N1O,0
CC1CCc2c(ccc3ccccc23)C1=O,0
O=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCc2ccccc21,0
CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)[C@]2(O)C=CC(=O)C3C(=O)N(c4ccccc4)C(=O)[C@]132,1
CC1(C)[C@@H]2C[C@H]1[C@@H](Cc1ccccc1C[C@H]1c3cc(-c4ccccn4)ncc3[C@H]3C[C@@H]1C3(C)C)c1cc(-c3ccccn3)ncc12,1
CCN(CCC(=O)C=Cc1ccc(C)cc1)CCC(=O)C=Cc1ccc(C)cc1.Cl,1
CC(=O)c1cc(Nc2cc(C)nc(N)n2)cc(C(C)=O)c1.CO,0
Cc1c(C#N)cccc1NN,0
CCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)CC(C)(C)O,1
Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O,1
COc1ccc[nH]c1=O,0
N#Cc1c(-c2ccccc2)nc(SC[C@@H]2CO2)nc1N1CCOCC1,1
O=P(OC[C@@H]1CCCO1)(OC[C@@H]1CCCO1)OC[C@@H]1CCCO1,0
O=CNN=Cc1ccc(Cl)c([N+](=O)[O-])c1,1
COc1ccc(C[C@H]2NC[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1.Cl,1
CCCCCCCC(=O)OCC(=O)[C@]1(O)C=C2C(=O)c3c(c(O)c4c(OC)cccc4c3O)C(=O)C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@@H](C)O2)C1.Cl,1
NNC(=O)c1ccncc1,0
O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccncc1,0
CC(C)=NN=C(N)NN(O)O,0
C1CCC(NC2CCCCC2)CC1.O=C(O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N=Cc1cccs1,1
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1,1
Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)N3C/C=C/c2cccnc2)c2ccc(F)cc2)cc1.O=C(O)C(=O)O,1
O=CCN1C(=O)c2ccccc2C1=O,0
CCCN(CCC)N=O,0
C=CC(=O)NCO,0
CCN(CC)CC[C@](O)(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1,0
Brc1ccc(Br)nn1,1
O=C1C[C@@H](c2cccc(F)c2)Nc2cc3c(cc21)OCO3,1
COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(Cl)cc3)C2)c(O)c1,1
CC1=CC(=O)N[C@H]2Sc3ccccc3N12,0
CC1=C(C)c2c(O)oc(O)c2CC1,0
CCCCCC[C@@H](C)NC(=O)c1ccc(Nc2nc3ccccc3c3occc23)cc1,1
COc1cc(N=Nc2ccc(C(=O)N(C)C)cc2)c(C)cc1N,0
COC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OC,1
CCCCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
N#Cc1sc2nc(-c3cc4ccccc4o3)cc(-c3ccc(Cl)cc3)c2c1N,0
NC(=O)c1nc2c([nH]c1=O)CCCC2,0
Nc1nc(Cl)c2[nH]cnc2n1,0
CCn1c(O)c(C=Nc2ccccc2)s/c1=N/Nc1nc(-c2ccc(O)c(O)c2)cs1,1
CN(C)CCNC(=O)c1cccc2nc3ccc4ccccc4c3nc12.Cl,1
[O-]N1C=CC=CC1=S.[O-]N1C=CC=CC1=S.[Zn+2],1
Cn1c(CO)cnc1-c1ccccc1,0
Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(Cl)cc2)cc1,1
CCOC(=O)Sc1ncnc2[nH]cnc12,1
O=C(CCCc1ccccn1)c1cccc2ccccc12,0
COc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1,0
CC1=C(SCCC(=O)OC(C[Se]c2ccccc2)C(=O)NC(C)(C)C)C(=O)c2ccccc2C1=O,0
COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccc(F)cc1C3=O,1
O=C1c2ccccc2C(=O)N1CCBr,0
CCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(O)co1,0
Cc1ccc(C(SCC(N)C(=O)O)(c2ccccc2)c2ccccc2)cc1,1
CCOC(=O)[C@]1(CC)CCOC1=O,0
CCSC(=O)CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C,0
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)[C@H]2SC1.[Na+],0
O=C(NCCCNCCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
CC1(C)OC2=C(C[C@H]1S(=O)(=O)O)C(=O)C(=O)c1ccccc12,0
C[C@H]1O[C@@H]2O[C@@H]3[C@H](OC[C@@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4,1
C=C(C=O)c1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O,1
O=c1c[n+](Cc2ccc(Cl)cc2)[nH]o1,0
CCc1c(O)n(C)c(=O)n(C)c1=O,0
C=C(C)[C@@H]1CC[C@]2(C(=O)S)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,0
COC(=O)N[C@@H]1c2ccccc2CC[C@H]1I,0
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Oc1cccc2ccccc12,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4O)c4c(=O)[nH]c(SCc5ccccc5)nc4n3)cc2)n1,0
CC(=O)C1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C,0
COc1ccc(C2(OC)Oc3cc(OC)ccc3C(=O)C2(O)OC)cc1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.[Cl-].[H+],1
COc1cc2c(C=C3C(=O)Nc4ccc(F)cc43)c(Cl)[nH]c2cc1C,1
COCCOC(=O)c1ccccc1C(=O)OCCOC,0
Cc1cn2c(/C=N/N=C(N)NN)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1.Cl,1
CS(=O)(=O)OCCCCCCCCCCCN1CCOCC1,0
COC(=O)C1=C(c2ccc3c(c2)OCO3)O[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1COC(C)=O,1
O=C1C(=C(I)I)c2ccccc2-c2ccccc21,1
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CN)OCO2,1
O=C(O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1,0
COc1ccc(N=C2C(=O)Nc3cccc4c(O)c5ccccc5c2c34)cc1,1
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C=C(C)COP(=O)(OCC(=C)C)OCC(=C)C,0
CCC(=Cc1ccc2c(c1)OCO2)[N+](=O)[O-],0
COc1ccc(CSc2ncnc3[nH]cnc23)cc1,0
COc1ccc2c(c1)Cc1cc(NC(=O)c3ccccc3-c3ccccc3C(=O)O)ccc1-2,0
Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1,0
O=C(O)C=CC(=O)CCc1ccc([N+](=O)[O-])cc1,0
CCOc1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1OCC,0
CCOC(=O)Sc1nc2cncnc2[nH]1,0
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
C.N=C1CSC2=NC3=C(CCCC3=Cc3ccccc3)C(c3ccccc3)N12,1
COC1=C(NC(C)(C)C)C(=O)C(OC)=C(NC(C)(C)C)C1=O,0
Cc1ccc(NC(C(=O)c2ccccc2)c2ccccc2)cc1,1
OCC12CCCC(OC1)O2,0
CCCCC(O)(CC(=O)O)c1ccccc1,0
COc1c(OC(C)=O)c(OC(C)=O)cc2c1-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,1
O=C(O)CNc1ccc([N+](=O)[O-])cc1,0
CCCCCCCCCCNCCSSCc1ccc(Cl)cc1.Cl,1
Oc1ccc(Nc2ccc3ccccc3c2)cc1,1
Cc1cc(=O)[nH]c(NNC(=S)Nc2ccccc2)n1,0
O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1,0
COC(=O)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O,1
CCCCN(N=O)C(C)=O,0
COc1ccc2c(c1)/C(=C\c1cccc(CC3=c4cc(OC)ccc4=NC3=O)n1)C(=O)N2,1
N#CCSc1ncnc2[nH]cnc12,0
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,0
Cc1ccc(NC2(C(N)=O)CCNCC2)cc1.Cl,0
CC1=NC(C)=C(C(=O)Nc2ccccc2)C(c2ccc(C3C(C(=O)Nc4ccccc4)=C(C)N=C(C)C3C(=O)Nc3ccccc3)cc2)C1C(=O)Nc1ccccc1,1
O=C(O)c1ccc(NC2(C(=O)O)CCCC2)cc1,0
COc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC.Cl,1
COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1,1
N#Cc1c(-c2ccc(Cl)cc2)n(O)c2ccccc12,1
CN(C)c1ccc(C2CC(=O)C(C#N)C(c3ccccc3)=NN2C)cc1,1
COc1cccc(/C=C2\SC(=S)NC2=O)c1,0
CCc1ccccc1-n1c(C)nc2ccccc2c1=O,0
CC(O)C1OC(O)C2OC(C)(C)OC12,0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N)CC2.O=C(O)C(O)C(O)C(=O)O,1
CCOC(=O)C(=Cc1ccccc1Br)P(=O)(OCC)OCC,1
CCOc1cccc(Cl)n1,0
O=C(c1ccccc1)C1OC1C(=O)c1ccccc1,1
N=C(N)n1ncc(Cl)c(Cl)c1=O,1
CC1CN(C(C)C)C(=S)N(c2ccccc2)C1=O,0
c1ccc2cc(OCC3CO3)c(OCC3CO3)cc2c1,1
CCOC(=O)C1C(CC(C)(C)O)=NC(=O)N[C@@H]1c1ccccc1,0
CCOC(=O)c1cc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)c([N+](=O)[O-])n1C,1
CCOC(=O)C(CC)(CC(C)c1ccccc1)C(=O)OCC,0
N#CC(=O)Nc1ccc(F)cc1,0
Cc1sc2[nH]c(CSc3nnc(-c4ccco4)o3)nc(=O)c2c1C,0
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Oc1ccc(CCCCCCc2ccc(O)cc2)cc1,1
O=C(N/N=C/c1ccc(Cl)cc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1,1
COC1=C[C@H]2CCN3Cc4cc5c(cc4[C@H]([C@@H]23)[C@@H]1O)OCC5,1
O=CN(Cc1ccccc1)Cc1ccccc1,0
Clc1cc(Cl)c(Cl)c(-c2nnc(-c3cccc(Cl)c3Cl)o2)c1,0
Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]ncc2c1,0
O=[N+]([O-])[C@]1(CO)CO[C@@H](c2ccccc2)OC1,0
Oc1ccc2ccccc2c1-c1nnc(CCCCCCCCc2nnc(-c3c(O)ccc4ccccc34)o2)o1,1
CCN(CC)c1ccc(NC(C(=O)c2ccccc2)c2ccccc2)cc1,1
CC[C@@]1(c2ccccc2)NC(=O)N(C)C1=O,0
CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1,1
CN(C)CC1CCCCCC(CN(C)C)C1=O,1
CCOC(=O)CCCNC(=O)c1sc2c(c1C)c(=O)[nH]c1c(C#N)nnn12,0
CN(C)CCn1c(=O)c2ccc(=NCCNCCO)c3c(O)c4ccccc4n(c1=O)c23.Cl,1
CC(=O)c1cc(NS(=O)(=O)c2ccc(N)cc2)cn1C,0
CC[Pb+](CC)CC.COCC(=O)[O-],1
COc1cc(C(=O)CBr)c(OC)cc1C,0
O=C(O)c1ccc2c(c1)C(=O)OC2=O,0
CC(=O)OC1CC(O)C23COC(O[Ac])C1(C)C2CC(O)C1(C)C3C(=O)C(O[Ac])C2(C)C(c3ccoc3)CC3OC321,1
Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1.[Cl-],1
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1cccc(C(F)(F)F)c1,1
O=[As]1(O)c2ccccc2-c2ccccc21,0
C=CCC(C#N)(C(=O)OCC)C(C)=CCC,0
COc1ccc(C2(Cl)c3ccccc3N(c3ccccc3)c3ccccc32)cc1,1
O=C(O)c1cc(Br)c(Br)s1,0
N#CC(c1ccccc1)N1CCOCC1,0
Nc1ccc(I)cc1Cl,0
CCN(CC)CCC(c1ccccc1)c1ccccc1,0
CN(C)c1ccc2cc(S(=O)(=O)O)cc(O)c2c1,0
NC(=O)NC1(C(=O)O)CCCC1,0
COc1cc([C@@H]2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC,1
CN(C)S(=O)(=O)n1cnc([C@H]2c3c(ncn3Cc3ccccc3)C[C@H]3COC(=O)C32)c1,0
NC(Cc1ccc(O)cc1)C(=O)O,0
CO[C@@H]([C@@H](C)[C@H]1OC(=O)CC=CC(C)=C[C@H](OC)CC2=CC(=O)O[C@@H]([C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H]1C)[C@H]2O)[C@H](C)CCC(=O)C(C)[C@@H](CCC(=O)O)OC,1
CCOc1ccc(C(=O)OCCCl)cc1,0
O=[As@@](O)(c1ccc(O)cc1)c1ccccc1O,0
CCOC1=CC(=O)O[C@@H](c2ccccc2)C1,0
O=C1O/C(=C2\OCc3ccccc32)c2ccccc21,0
NC(=O)C1=c2ccccc2=CCc2ccccc21,0
CC1CC(=O)C2CCCC1C2=O,0
O=c1cc[nH]c2c(Cl)c3nnn(OCc4ccc([N+](=O)[O-])cc4)c3cc12,0
Cc1cc(NC(=O)Nc2cccc3ccccc23)no1,0
CC(=O)Oc1c(Cl)cccc1-c1ccccc1,0
CCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2nccnc21,1
O=C1CCC[C@H]2CCCCN12,0
Cc1cc(=O)n([C@@H](C)Cc2ccccc2)n1[C@@H](C)Cc1ccccc1,0
C=C(C)c1cc2ccc3c(c2c(O)c1O)CCCC3(C)C,1
CCOc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O,0
CCN1CCO[C@@H](c2ccccc2)C1,0
COc1ccc(N=C2NN=C(c3c[nH]c4ccccc34)CS2)cc1OC,1
CC=Cc1c(=O)c(=O)c2c(OC)cc(OC)c3c4c(OC)cc(OC)c5c(=O)c(=O)c(CCC)c(c1c23)c54,1
CN1CCC(C(=O)C(=O)O)C1=O,0
N#CC1(C#N)O[C@]12CCS(=O)(=O)c1ccccc12,0
C/C=C/CN(C)c1ccccc1,0
OC1CCN(c2c3ccccc3nc3ccccc23)CC1,1
C=C(Cl)[C@](Cl)(CBr)CC[C@H](Cl)C(C)C,1
C[C@H](CC(=O)c1cc(Cl)ccc1O)CC(C)(C)C,0
C[C@@]1(C(=O)c2ccccc2)O[C@@H]1c1ccccc1,0
O=C(CS(=O)(=O)c1ccccc1)CS(=O)(=O)c1ccccc1,0
CN(N=O)C(=O)C(=O)N(C)N=O,0
CCOC(=O)c1c(C)c(C(=O)OCC)n(C)c1C,0
Cc1cc(=O)[nH]c(NN2C(Cl)C(=O)C2c2cccc(O)c2)n1,1
Cn1nc(SCc2ccccc2)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O,0
ClCc1cccc2c(CCl)cccc12,1
Cc1ccc(O)c(C(=O)c2cccc(Cl)c2)c1,0
OCCCNCc1ccccc1,0
Cl.NC1CCN(Cc2ccccc2)CC1,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCc3cccc[n+]3[O-])c12,1
CSc1nc(C)c(Br)c(N2CC2)n1,0
NC(=S)NN=Cc1cc(-c2cccc(N)c2)ccn1,1
Cc1ccc(NCCN2CCCCC2)c2c(=O)c3ccccc3sc12,1
COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC,1
CC(=O)C1CC[C@H]2[C@@H]3C[C@@H]4OC[C@]5(CCC(=O)C=C45)[C@H]3CC[C@]12C,0
Fc1ccc(C(=C2CCN(CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c2ccc(F)cc2)cc1,1
COCc1cc2c(s1)C(=O)C1=NCCC3(C=C(Br)C(=O)C(Br)=C3)C1C2=O,1
FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1,0
O=C(NC1CCCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3,0
C=CC(C)n1ccnc1,0
COc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6C[C@@H]7C[C@]78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(N)=O,1
Nc1nc(Sc2ccc([N+](=O)[O-])c3nonc23)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1,1
COc1ccc2c(c1)O/C(=C\c1cccc(OCC(=O)Nc3nc4ccccc4s3)c1)C2=O,1
OC(CNC1CCCCC1)c1ccccc1,0
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNC(=O)NCCCN(C)CCCNc5nccc6c(C)c7[nH]c8ccc(OC)cc8c7c(C)c56)c4c(C)c3c2c1.O=C(O)C(F)(F)F,1
CCC(CC)C(O)CCCN(C)C,0
CCCCSCN1CCN(c2ccc(C)cc2)CC1,0
NC(=S)NN=Cc1nccc2ccccc12,1
COc1cccc(-c2c(C(=O)O)cc(O)c3ccc(OC)cc23)c1,0
O=C(O)c1ccccc1C(=O)Nc1cccc(Cl)c1,0
CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1.[I-],1
CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[I-],1
Nc1n[nH]c(=O)c2c1c(Br)cn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,1
Nc1ncnc2[nH]c(=S)[nH]c12,0
CSc1nc(-c2ccccc2)cc(=O)[nH]1,0
COC(=O)CC[C@@]1(C(N)=O)CCC(=O)c2ccccc21,0
C=C(C)COc1ccc2c(c1)CCC1C2CCC2(C)C(=O)C(=NO)CC12,1
Cc1cccc(Cl)c1NC(=O)C(C)N1CCCC1,0
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC,1
CC[C@@H]1C[C@H](O)C2=C(C(=O)c3c(c(O)c4c(O)cccc4c3O)C2=O)[C@@H]1O.C[C@@H]1O[C@H](O)CC[C@@H]1O.C[C@@H]1O[C@H](O)C[C@H](N(C)C)[C@H]1O,1
O=C(c1cccs1)N1CCN(C(=O)c2cccs2)C1=S,1
COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=O)cc(OC)c1OC,1
Cc1ccc(O)c(C(c2ccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)cc2)c2cc(C)ccc2O)c1,1
CNC(=O)OC1C(C)=CC(C)C(O)C(OC)C=C(C)Cc2c(O)c(cc(O)c2OC)N(C)C(=O)C(C)=CC=CC1OC,1
C=c1[nH]n(C(=O)c2ccccc2O)c(=O)c1=Cc1c(O)ccc2ccccc12,1
c1ccc2cc3nc4cc5ccccc5cc4nc3cc2c1,0
C/C(=N\NC(N)=O)[C@@H]1C[C@H]2CC[C@@H]1CC2,0
O=[N+]([O-])c1ccc2c(c1)CCC2,0
OCCCC(O)c1ccccc1,0
NC(=O)n1cccn1,0
CCCCC(=O)NN=Cc1cc(I)cc(I)c1O,1
COc1cccc2c1O[C@H](c1cccc3ccccc13)C([N+](=O)[O-])=C2,1
Cc1c([N+](=O)[O-])oc2c1C(=O)NCCC2,0
N#CC(NNC(=O)c1ccccc1O)c1cccc(O)c1,1
O=C1CC(c2ccccc2)C(=O)N2C(=O)CC(c3ccccc3)C(=O)N12,0
CCN(CC)CCNC(=O)c1ccc(N)cc1.[Cl-].[H+],0
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,1
COc1ccc(C2(c3ccc(OC)cc3)OC(=O)c3cccc4cccc2c34)cc1,1
Cc1ccn2c(=O)c(-c3ccccc3)c(O)nc2c1,0
CC(=O)NNC(=O)c1ccccn1,0
O=C(C=Cc1cccc([N+](=O)[O-])c1)C=Cc1cccc([N+](=O)[O-])c1,1
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](Nc2ncnc3c2ncn3C)O[C@H]1C,1
COc1c(NC(C)=O)c2c(c([N+](=O)[O-])c1OC)C(=O)OC2,0
O=C1c2nccnc2C(=O)N1Cc1ccccc1,0
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1,1
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(N(C)C)cc2)cn1,0
CC1OC(Cc2cccc3c(O)c4c(O)c5ccccc5c(O)c4c(O)c23)CC(NC(=O)C(F)(F)F)C1O,1
OC(c1cc(-c2cccc(Cl)c2)nc2ccccc12)C1CCCCN1,1
CCC(=O)c1ccc(O)cc1,0
O=C1CN(CCN2CC(=O)NC(=O)C2)CC(=O)N1,0
Cc1cccc(N2CCNCC2)c1.Cl,0
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(S(=O)(=O)N=C(N)N)cc1,0
CC1CN(CCN2CC(C)N(C=O)CC2C)C(C)CN1C=O,0
CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1,0
CC1CCN(CC[S-])CC1.[Cl-].[OH-].[OH-].[Pt+4],1
COC(=O)c1cc(C(C)=O)ccc1O,0
Brc1ccc(SCN(CSc2ccc(Br)cc2)Cc2ccccc2)cc1,1
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCOc2ccccc2)c1,1
CCCCCCC(C)[N+](=O)[O-],0
Nc1cccc2cnccc12,0
Cc1ccc(S(=O)(=O)NN)cc1,0
Cn1nc(N)c2ncc(C(Cl)(Cl)Cl)nc21,0
O=C(Cc1ccccc1Cl)c1ccccc1,0
COc1ccc(Cl)cc1Cl,0
Cc1cc(C(=O)c2ccccc2)cc(C)c1O,0
CCOC(=O)N1CCCC1=O,0
CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl,1
CN1CCC2(c3cccc(O)c3)CC(=O)C(=Cc3ccccc3)C1C2.[O-][Cl+3]([O-])([O-])O,1
CCc1cc(N)c(S(=O)(=O)O)cc1Cl,0
CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c2[nH]cc(C)c24)n(C)c1,1
O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1,0
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,0
COc1cc2c(cc1C[C@H]1[C@@H]3C[C@H]4c5c(c6ccccc6n5C)C[C@@H]([C@@H]3CO[C@]1(C)OC(C)=O)N4C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C,1
OC(CN1CC1)C(O)CN1CC1,1
Nc1nc(=O)c(N=Nc2ccc(C(=O)O)cc2)c(N)[nH]1,0
CC1(C)[C@@H]2CC[C@@](C)(O)[C@H]1CC[C@]1(C)O[C@@H]1CC[C@]1(CO)O[C@H]1C2,0
Cc1nc(Cl)c2sc(=S)n(-c3ccc(F)cc3)c2n1,1
CC(=O)C(=Cc1ccc(O)cc1)C(C)=O,0
O=C(O)c1ccccc1.S=c1[nH]cnc2[nH]cnc12,1
COc1ccc(C(Cl)=C(C=O)c2ccc(Cl)cc2)cc1,1
COc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnc(N)nc2-3)cc1,0
CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(F)cc3)nc12.Cl,1
O=C(c1ccccc1)C(O)(c1ccccc1)c1ccccc1,0
C=C(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C1=CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O[C@H]3O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@@H]3O)[C@]12C,1
CC(C)(C)c1ccc([IH]c2ccc(C(C)(C)C)cc2)cc1,1
O=C1C[C@H](c2ccccc2)Oc2ccc(Cl)cc21,0
CCCC=CC1CCC(CN2CCOCC2)C1=O.Cl,1
CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23.Cl,1
Oc1c(CN2CCOCC2)cc(CN2CCOCC2)cc1CN1CCOCC1,0
CC(=O)c1c(SCCN2CCCCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,1
CCCCN(CCCC)CCC(O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12,1
COc1nc(=O)n([C@H]2C=CC(=O)O2)cc1F,1
CC(=NNC(=S)N(C)CCc1ccccn1)c1cnccn1,1
Cl.O[Nd]12(Cl)(N3C=CC=c4ccc5c(c43)N1C=CC=5)N1C=CC=c3ccc4c(c31)N2C=CC=4,1
COc1cc(NC(C)=O)c2ncccc2c1NC(C)=O,0
CCCN(CCC)C(=S)NN=Cc1cccc(C)n1,1
CCOC(=O)C(C(C)=O)C(C)C(C(C)=O)C(=O)OCC,0
Cc1ccc2[nH]c(SCn3nnc4ccccc4c3=O)nc2c1,0
COc1ccc(N=Nc2c(N)n[nH]c2N)cc1,0
COc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC,0
CC(Br)C(=O)O.c1ccc(N2CCNCC2)cc1,0
CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC,1
CC(=S)N=Cc1c(N)[nH]n(-c2ccccc2)c1=O,0
CC(C)(Cl)C=Cc1c(Cl)c(O)c2ccccc2c1O,1
O=C1c2ccccc2C(=O)N1CO,0
COC(=O)CC(CC(=O)OC)n1cccc1,0
Cc1ccc(S(=O)(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1,0
CC(=O)OC[C@H]1O[C@H](O[C@@H]2C[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]3CC[C@@]45C[C@@]4(CC[C@H]5[C@@H](C)C[C@@H](O)[C@@H]4OC4(C)C)[C@@]32C)[C@H](O)[C@H](O)[C@@H]1O,1
CC(=O)O[C@H]1[C@@H](O)[C@H](C)O[C@@H](OC(=O)C2CC[C@H]3[C@H](C2)O[C@]2(C[C@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)CO2)[C@@]32CO2)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O,1
NC(=O)CCC(C(=O)O)n1c(O)c2c(c1O)C1CCC2C1,0
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
Cl.NC1=NN[C@@H]2NN=C(N)NC2=N1,0
O=C1c2ccccc2-c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21,1
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCI)OCO2,1
CCC(=O)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1,1
C[C@@H]1CC(=O)C(O)C(O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C=O)C[C@H]2O)O1,1
O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21,0
CN1CC[C@@]2(c3ccccc3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@@H]1C2.[O-][Cl+3]([O-])([O-])O,1
CCCCCOCCCn1c(O)c2c(c1O)[C@H]1C=C[C@@H]2C1,0
CC(=NNc1nc2ccccc2o1)c1ccc2ccccc2n1,1
CN(C)CCNC(=O)c1cccc2nc3c4ccccc4c4ccccc4c3nc12.Cl,1
COc1cn(CC(=O)O)/c(=N/C(=O)c2ccc(Cl)cc2)s1,0
COc1ccc(C(=O)C(C)C(C)=O)c(OCc2ccccc2)c1OC,0
N#Cc1cc2c(cc1Cl)Sc1nnc(Nc3cccc4ccccc34)n1S2(=O)=O,1
CCCCCCCC/C=C\CCCCCCCC(=O)Oc1cccc2cccnc12,0
CC1O[Nd]23(OC(c4ccccc4)=CC(c4ccccc4)O2)(OC(c2ccccc2)=CC(c2ccccc2)O3)O1,1
CCC(C)(C)C1CCC(O)CC1,0
O=C(CCCCC(=O)c1ccccc1)c1ccccc1,0
CCCCCCOC(=O)N1CCCCC1CCCC,0
NC(=S)NN=C1c2cc(Cl)ccc2-c2c1cc(Cl)cc2[N+](=O)[O-],1
COc1ccc(-n2cnc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1,0
CC1CCN(CN2N=C3c4ccsc4CCC[C@H]3CC2=O)CC1,0
COc1ccc(-c2c(C)[nH][nH]c2=O)cc1,0
O=C(O)/C=C\C(=O)Nc1nccs1,0
O=C1NC(=O)/C(=C/C=C/c2ccccc2)S1,1
COC1=CC(=O)c2nc(Cl)ccc2C1=O,1
Cc1ccc(N=CCC(=O)O)nc1,0
COC(=O)C=CCCC#Cc1ccccc1C#CCCC=CC(=O)OC,1
O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl,0
O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1Cl,0
CC(=O)n1cc(C=C2C(=O)CC(C)(C)CC2=O)c2ccccc21,0
O=c1n(-c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)n1-c1ccc(Cl)c(Cl)c1,1
CN(C)c1c([N+](=O)[O-])cc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-],0
O=C1C(N2CCOCC2)=C(Cl)C(=O)c2ncccc21,1
O=c1cccn[nH]1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCc2ccccc2)cc1,1
CC=CC(=O)Nc1c(Cl)c(O)c2ccccc2c1O,1
CCN(CC)C(C(=O)NN)c1ccccc1,0
CCOC(=O)N[C@H]1CCc2cc(O)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
CC(C)CC1NC(=O)C(CC(C)C)N(CO)C1=O,0
Nc1nc(=O)c2ccccc2s1,0
CC(=O)Nc1ccc2c(=O)cc[nH]c2n1,0
COC1=CC(=O)c2c(cc(CO[P@@](N)(=O)N(CCBr)CCBr)n2C)C1=O,1
CN(C)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1.Cl,1
CCOC(=S)SSC(Cl)(Cl)Cl,0
CCC(C(C)=O)(c1ccccc1)c1ccccc1,0
O=C1C(=NCCOCCO)C(Cl)C(=O)c2c(O)ccc(O)c21,1
CN(C)Cc1c(OC(=O)c2ccc(N)cc2)ccc2ccccc12,0
Cc1ccc([S@@](=O)O)cc1.[Na+],0
COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1.O=S(=O)(O)CCO,1
O=C(COC(=O)c1ccccc1)NCCCCc1ccccc1,0
CCC[C@H]1O[P@](=O)(N2C[C@@H](C)N([P@]3(=O)OC[C@H](CC)[C@@H](CCC)O3)C[C@H]2C)OC[C@@H]1CC,0
CCOC(=O)CN1CC(C)(C)N(CC(=O)OCC)CC1(C)C,0
CC(=O)CSC(C)=O,0
Br.Nc1nc(N)c2nc(CO)cnc2n1,0
O=c1c2ccccc2oc2cc(Br)ccc12,0
CC(C)(C(N)=O)N1CCN(c2ccccc2)CC1,0
CC1=CC(C)(C)OC(=O)C1,0
CN(C)CC1CCCC(CN(C)C)C1O,0
CCCCOC(=O)c1cc(Cl)c(O)c(OC)c1,0
O=C(Nc1ccc(F)cc1)c1ccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)cc1,1
CC(=O)O.Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1,0
COc1ccc(-c2cn(-c3ccc(-n4cc(-c5ccc(OC)cc5)[nH]c4=O)cc3)c(=O)[nH]2)cc1,0
N=c1ncn(C2CCOC2=O)c2[nH]cnc12,0
COC(=O)C1CCCN1C(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc(O)c1,0
Cc1ccc(NCCN2CCCCC2)c2c(=O)c3ccccc3sc12.Cl,1
N#C/C(=N\c1ccccc1)c1ccccc1,0
c1ccc2c(c1)c1c(c3ccccc32)CN2CCCC2C1,1
CCc1nc(N)nc(N)c1-c1ccc(NC)c([N+](=O)[O-])c1,1
CN(C)c1nc(N)nc(N)n1,0
CCOC(=O)CCCn1c(-c2ccccc2)c(C)c2c1nc(SC)n1cc(O)nc21,0
CC(C)OP(=O)(OC(C)C)C(N(C)C)P(=O)(OC(C)C)OC(C)C.Cl[Sn](Cl)(Cl)c1ccccc1,1
N=C(N)NN=Cc1ccc(Br)cc1,1
Cn1c(=O)c2[nH]c(Cc3cccc(O)c3)nc2n(C)c1=O,0
COc1ccc(C2OC(=O)c3c2ccc2ccccc32)c(C)c1,1
OCC1COc2ccccc2O1,0
CC1=C(SCCC(=O)OC(C[Se]C2=C(C)C(=O)c3ccccc3C2=O)C(=O)NC(C)(C)C)C(=O)c2ccccc2C1=O,1
N#CC(C#N)=CC=Cc1ccccc1[N+](=O)[O-],1
c1cnc2ccc3c(c2c1)COCO3,0
CC1CC(=O)C2CC1C2(C)C,0
CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O,1
C#CCOC(=O)c1ccc(Cl)cc1,0
COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1,1
COc1cc(C(=O)c2c(N)ncn2-c2ccc(Cl)cc2)cc(OC)c1OC,0
Oc1ccc(C=NNc2nc3ccccc3s2)c(O)c1,1
Cc1ccc2c(ccc3c[n+]4ccccc4c(C)c32)c1.[O-][Cl+3]([O-])([O-])[O-],1
CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,1
Cc1cc(F)c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@@H]3C)c1=N2,1
CC[C@]1(N)CO[C@@H](c2ccccc2)OC1,0
O=C(O)C(Br)C(Cl)c1ccccc1,0
CCOC(=O)Nc1ccc(Cl)cc1,0
Cl.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,0
CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1cc(N)ccc1-2,0
OCCN1CCN(c2ccccc2)CC1,0
C#C[C@]1(O)[C@H](O)[C@@H](n2ccc(N)nc2=O)O[C@@H]1CO[P@](=O)(O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO,1
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21,1
Cc1c2ccncc2cc2c1sc1ccncc12,1
CCON=C(N)c1ncn(Cc2ccccc2)c1NCC(OCC)OCC,0
COc1ccc2nc3ccccc3c(NCCN(CCCl)CCCl)c2c1.Cl,1
O=C(NNC(=S)Nc1ccccc1)c1ccccn1,1
Cc1c(C)c(S(=O)(=O)N(CCCCCCN)OCCCN)c(C)c2c1OC(C)(C)CC2.Cl,1
CCN(CC)CCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(N)c12,1
Cc1nc(NCc2ccco2)c2c[nH]nc2n1,0
NC(=O)C(C1=CCCCC1)c1ccccc1,0
COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c(OC)c1,1
CC(=O)N(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,0
COc1cc(-c2ccc(NC(=O)NC3CC3)c(OC)c2)ccc1NC(=O)NC1CC1,1
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.N,1
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/CCc2ccccc2)cc1,0
CN(/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1,0
CC=C1OS(=O)(=O)C(C)=C2c3ccccc3C(=O)C12,0
CCOC(=O)C1(C(=O)OCC)CCN(S(=O)(=O)c2ccccc2)CC1,0
CCOC(=O)Cc1cnn(C)c1-n1nnc2ccccc2c1=O,0
Nc1nc(Sc2ccc([N+](=O)[O-])cn2)c2[nH]cnc2n1,1
COc1cc(-c2nccc3cc4c(cc23)OCO4)cc(OC)c1OC,1
O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)CC1=Cc1ccccc1,1
CCCNC[C@H](O)CNc1ccc(NC[C@@H](O)CNCCC)c2c1C(=O)c1ccccc1C2=O,1
CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O,0
C=CCN(CC=C)CC(=O)Nn1c(C)ccc1C,0
CC(=O)O[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](OC(=O)C3CC[C@H]4[C@H](C3)O[C@]3(C[C@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)CO3)[C@@]43CO3)O[C@@H](C)[C@H](OC(C)=O)[C@@H]2O)O[C@@H](C)[C@@H]1O,1
N#C[C@]1([C@@H]2SCC[S@@+]2[O-])C2=C(C(=O)c3ccccc3C2=O)N2CCC[C@@H]21,1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
O=[N+]([O-])c1cccc(CN(Cc2cccc([N+](=O)[O-])c2O)C2CCCCC2)c1O,0
CSc1ncnc2[nH]ncc12,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc12.CS(=O)(=O)O,1
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(=O)C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)C1[PH](c1ccccc1)(c1ccccc1)c1ccccc1,1
COc1ccc[nH]c1=O,0
C[C@@H]1CN(CCCOC(=O)Nc2ccc(Cl)cc2)CCN1C(C)(C)C,0
CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC)cc1,0
CC(O)COc1ccc(-c2ccccc2)cc1,0
CCOC(=O)C(=Cc1ccccc1Br)C(=O)OCC,1
CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(O)c2)cc1O,0
Oc1ccc(Cl)cc1,0
COc1ccc(OC)c([C@H]2NC(=O)N=C(C)C2C(=O)c2ccc(Cl)cc2)c1,0
CC(=NCCc1ccc(O)cc1)C1CCOC1=O,0
COc1ccc2c(c1)C(=NO)c1c-2c(Nc2ccc(C(C)=NO)cc2)nc2ccccc12,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccco3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@@H]3CCC[C@H](COC(=O)CCCCCNC(=O)OC(C)(C)C)[C@@]3(C)CC[C@@H]2C)C1=O,1
C=C1S/C(=N\c2ccc(Cl)cc2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2,0
CCN(CC)CCNc1ccc2nnn3c4ccccc4c(=O)c1c23,1
Br.CN(CCCNC(=O)CCOCCOCCOCCNC(=O)Cc1ccc2ccc3cccc4ccc1c2c34)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12,1
CN(C)CC(CN(C)C)C(O)c1ccccc1.Cl,0
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1,0
CC1CCCCC1(C)O,0
COC(=O)CC(O)CC(=O)OC,0
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
COc1cccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c1OC,1
CCOC(=O)[C@@]1(CCC(=O)OCc2ccccc2)CCCCC1=O,0
COc1ccccc1NCS(=O)(=O)O,0
CC1=CC2OC3CC4OC(=O)/C=C/C=C/C(C(C)O)OCC(O)C(C)CC(=O)OCC2(CC1O)C4(C)C31CO1,1
CCOC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2,0
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCCN(C)C)c3c(N)c2c1,1
CO[C@@H]1[C@H](O[C@@H]2C[C@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)O[C@@H]2O[C@@]3(C)[C@H](O)[C@@H](N(C)C)[C@@H]2O)O[C@H](C)[C@@H](OC)[C@]1(C)OC,1
CCC1=C(CC2NCCc3ccccc32)CC2c3cc(OC)c(OC)cc3CCN2C1,1
O=C(COc1cccc(/C=C2\Cc3ccc(Cl)cc3C2=O)c1)c1ccc(Cl)cc1,0
CC1=C(C)CN2CC(C#N)C(=N)C2C1,0
O[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccc(Cl)cc1,0
CC1C=CCP1(C)=O.CC1C=CCP1(C)=O,0
COc1ccc(C(NCCNC(c2ccc(OC)c(OC)c2)c2cc3c(cc2O)OCO3)c2cc3c(cc2O)OCO3)cc1OC,1
COc1cc(-c2coc3c(OC)c(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(OC)cc3c2=O)cc(OC)c1C,1
c1ccc(Cc2nnc3n2CCC(c2ccccc2)S3)cc1,0
Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(Cl)cc2)c(N2CCCCC2)c1=O,1
O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl,0
CCC(=O)C(CCN1CCC2(CCCc3ccccc32)CC1)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O,1
O=C(Nc1nncs1)c1cccs1,0
CO[C@@H]1NC(Cl)=C(C#N)C(C#N)(C#N)C1(C)C,0
COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(SC)nc(SC)c23)cc1OC,1
CCOC(=O)C1=NNC(C(=O)OCC)[C@@H]1c1ccccc1,0
CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2c2c-3[nH]c3ccccc23)cc1,1
CCOC(=O)C(C#N)=Cc1c[nH]c2ccccc12,0
Cc1[nH]c2ccccc2c1CCCO,0
COc1cc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)cc(OC)c1OC,1
COc1ccc(C(=S)N2CCN(c3ccccc3Cl)CC2)cc1OC,0
CCOC(=O)c1ccc(NC(=O)Nc2nnc(C)c(C)n2)cc1,0
Br.Cc1cc(C)n(C2=NCCN2)n1,0
COc1cccc(OC)c1/C=C1\OC(=O)c2cccc(OC)c21,1
NC(=O)NC(=O)C(Cl)c1ccccc1,0
O=C(O)c1ccc2cc(C(=O)O)ccc2c1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=O)CC1OC1CC(N(C)C)C(O)C(C)O1)C3=O,1
O=C(O)C(Cc1ccco1)=NO,0
CCCCCCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCCCCCCCCCCCCCC,1
c1ccc(Cn2cc3c(c2)-c2ncncc2CC3)cc1,0
C(=NNc1ccc2ccccc2n1)c1ccccn1,1
CCOC(=O)c1sc(SSc2nc(C)c(C(=O)OCC)s2)nc1C,0
COc1cc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC(=O)CCN[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c(OC)c2)C(=O)CCN[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)ccc1OC(=O)CCN[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,1
CSc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,1
Cc1ccc(S(=O)(=O)Nc2cncnc2NS(=O)(=O)c2ccc(C)cc2)cc1,0
C=C1C[C@](Cn2ccc(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O,1
Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1,0
O=C1CNCCN1,0
Cc1ccc(O)c(CN2CC[C@H]3CC[C@H](C3)C2)c1,0
CCN(CCCl)CCCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,1
COc1cc2c(cc1OC)C(=O)C(=Cc1cc(C)c(O)c(C)c1)C2,1
CCCCCCCCNC(=O)C(C)C,0
CCOC(C)=O.CCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O[S@@](=O)O[C@@H]3CC[C@@H]4[C@H]5CCc6cc(O)c(OCC)cc6[C@@H]5CC[C@]43C)CC[C@@H]12,1
CC[C@]1([N+](=O)[O-])CO[C@@H](c2ccc(Cl)cc2)OC1,0
CC[C@H](C)[C@@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2C[C@H](O)CN2C(=O)C(C)O)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@H]1O,1
N=C1Cn2c(nc3ccccc3c2=O)CN1,0
O=C(c1ccccc1)C(c1ccccc1)N1CCCCC1,0
Oc1ccc(O)n1-c1ccc(Cl)cc1,0
CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@@H](C)N(C)C)=CC[C@@H]32)[C@H]1O,1
O=C(O)c1cc2cc(Br)ccc2c(Br)c1O,0
CCOC(=O)Nc1ccc2[nH]c(-c3cscn3)nc2c1,1
[O-][n+]1cc(Cl)cc(Cl)c1,0
CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12,1
CN(CCc1ccccn1)C(=S)NN=C(c1ccccc1)c1ccccn1,1
CCNc1nc(C)nc2c1cnn2C,0
O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccccc1,0
Nc1ccn(C2CCCO2)c(=O)n1,0
C/C=C/C=C\C=C/[C@@H](O)[C@@H](C)[C@H](CC[C@@H](C)[C@H]1OC(=O)C=C[C@H]1C)OP(=O)(O)O.[Na+],1
O=[N+]([O-])c1ccc(O)c(C=NNC(=S)N2CCCCC2)c1,1
COc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@@H]2c2ccccc2OC(=O)C(c2ccccc2)c2ccccc2)cc1,0
COc1cccc2c1c(C(=O)C(=O)Nc1cc(C)no1)cn2Cc1ccc(F)cc1,1
S=C(NN=Cc1ccccn1)Nc1ccc(Cl)cc1,1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5cc(C(F)(F)F)n(C(C)=O)n5)[C@@]4(C)CC[C@@H]32)C1,1
CCC(C(=O)C(C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@H]1C.[Na+],1
Cc1ccccc1[C@@H]1CC(=O)c2ccccc2[C@@H]1C,0
CCNCCCCCCNc1cc(OC)cc2cccnc12.I,0
c1nc2c3c(n1)ncn3CCS2,0
CCCCCCCCCCN=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1,1
Clc1ccc2c(NCCNC3CCCCC3)ccnc2c1,1
CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1,1
CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)[C@]2(O)C=CC(=O)C3C(=O)c4ccccc4C(=O)[C@]132,1
CCC(c1ccc(O)c(O)c1)C(CC)c1ccc(O)c(F)c1,0
Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,1
O=c1c(OCC(=NO)c2ccccc2)c(-c2ccccc2)oc2ccccc12,1
CCCC(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)CCC)ccc1C21OC(=O)c2ccccc21,0
CCN(CC)CN1C(=O)C(=O)c2ccccc21,0
Oc1ccc(Cl)cc1C=NNC(=S)NN=Cc1cc(Cl)ccc1O,1
CC(=O)NC1(C(=O)O)CCCC1,0
COc1cc(C2c3cc4c(cc3C(NC(=O)c3cccc(C#N)c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CCOc1cccc(NC(C)=O)c1,0
COc1cc([C@@]23OC[C@@H](Cc4cc5c(cc42)OCO5)[C@H]3CO)cc(OC)c1OC,1
COc1cc(N=Nc2c(O)[nH]c3ccccc3c2=O)c(OC)cc1N=Nc1ccccc1,0
O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cn2-c2ccccc2)c1,1
CC(C)(C)CC(C)(C)N1CNC(=S)NC1,0
Cc1cc(NCc2ccccc2)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(NCc2ccccc2)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-],1
COc1ccc(/C=C/c2ccnc3ccccc23)c(OC)c1,1
S=C=NCc1ccccc1,0
COc1ccc(C2=Nn3c(nnc3-c3cc(Cl)cc(Cl)c3Cl)SC2)cc1,1
C=CCn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c21,0
CN(C)C1C(=O)c2ccccc2C1=O,0
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O.Cl,1
COc1ccc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2ccccc12,1
COc1ccc(/C=C/[C@H](O)CCN2CC[C@@H]3CC[C@@H](C3)C2)cc1,0
ON=C(CCc1ccccc1)CCc1ccccc1,0
O=C(Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)cc1)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)cc1,0
COc1ccc(/C=N/NC(=O)c2ccc(C)nc2)cc1,0
CCOc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NCc1ccccc1,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)([C@@H](O)CO)C[C@H]1O[C@@H]1C[C@H]2[C@@H](O[C@@H]4COC[C@@H](C#N)N42)[C@H](C)O1)C3=O,1
O=[N+]([O-])c1ccc(S(=O)(=O)F)c(Cl)c1,0
O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21,1
CCOC(=O)C=C(C)OCC,0
O=C(CCCCC(=O)N=C(c1ccccc1)c1ccccc1)N=C(c1ccccc1)c1ccccc1,0
CC(C)CNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
COCC(C)OC(=O)c1ccccc1Cl,0
CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1cc(O)c1[nH]c3c(c12)CCCC3,1
CC(=NNc1nc2ccccc2s1)c1cc2ccccc2cn1,1
C=C(C)Cc1cc(C)ccc1O,0
Nc1ccc(-n2[nH]c(N3CCCC3)cc2=O)cc1,0
Oc1[nH]c(O)c2c1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,0
C=CCOC(=O)Oc1ccc(Cl)cc1Cl,0
COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O,1
CC[C@@H](C#N)c1ccccc1,0
Cl.O=C1Cc2csc3nc(=O)cc(n23)N1,0
COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC,1
CO[C@@H]([C@H](C)[C@H]1OC(=O)C=CC=C(C)C[C@@H](OC)[C@@H](OC)C2=CC(=O)O[C@@H]([C@@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](O)C[C@H](OC)/C=C/[C@@H]1C)[C@H]2O)[C@H](C)CCC(=O)C(C)[C@@H](C/C=C/N(C)C=O)OC,1
CC(C)(C(N)=O)c1ccccc1,0
O=C(Nc1ccccc1)C(Cc1ccccc1)c1ccccc1,0
Cc1cc(C)n(N=Cc2ccccc2O)c(=O)c1C#N,0
O=C(CBr)CN1C(=O)c2ccccc2C1=O,0
Cc1cc2ncn(CO)c2cc1C,0
Cc1ccc(N=C(Nc2ccc(C)cc2C)C(C=C(Cl)[N+](=O)[O-])[N+](=O)[O-])c(C)c1,1
O=C(OCCCCCCl)c1cccc([N+](=O)[O-])c1,0
Cc1ccc(C=NNC(N)=S)s1,0
Nc1ccc(Cl)cc1[N+](=O)[O-],0
C[n+]1c2ccccc2n2c3ccccc3c(NCCCn3ccnc3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1,1
Cc1ccc2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2n1,1
CSc1nccc(C2=CNN=C(N)S2)n1,0
O=C1/C(=C\c2ccccc2)[C@@H]2/C(=C\c3ccccc3)C(=O)/C(=C\c3ccccc3)[C@@H]2/C1=C\c1ccccc1,1
COC(=O)CN1CC1,0
CSc1ncnc2[nH]ccc12,0
CCC(=O)OCCN(C(=O)CC)c1ccccc1,0
CCCCOc1ccc(N=C(N)Nc2ccc(Cl)cc2)cc1,1
CC(CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
C=CCn1ccc(=O)nc1SC,0
O=C1C[C@]2(CC[C@](O)(c3ccc(Cl)cc3)C(C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1,1
O=C(CNc1ccc(Cl)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,1
O=[N+]([O-])c1oc2ccc3ccccc3c2c1CCO,1
O=C1NC(=O)[C@@]2(CCc3ccccc32)N1,0
CN(C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,1
C#CCOC(=O)Cc1ccccc1,0
CCOc1cc(C=CC(=O)C(C(=O)C=Cc2ccc(OC(=O)CNc3nnc(C)s3)c(OCC)c2)C(=O)CNc2nnc(C)s2)ccc1OC(=O)CNc1nnc(C)s1,1
CSc1nnc(N)s1,0
O=[N+]([O-])c1cc(Cl)cnc1Br,1
CCOc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12,1
CC(=O)Oc1c(O)c(C(C)C)cc2c1=C[C@@]1(C)OC(=O)CC(C)(C)C1=CC=2,1
O=C(CCCCCC(=O)c1c2cccc(O)c2c(O)c2c(O)cccc12)c1c2cccc(O)c2c(O)c2c(O)cccc12,1
COc1cc(NC(C)CCCN)c2ncccc2c1Sc1ccc(Cl)cc1,1
CCOC(=O)N=C1NC[C@@H](C)S1,0
CCNP(=O)(OCC)OCC,0
COc1cc2c(c3nc4ccccc4nc13)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
Cc1cccc(N2CCN(C(C)(C)C#N)CC2)c1,0
O=C(O)C(Br)=Cc1c[nH]c2ccc(Br)cc12,0
CCc1cccc(CC)c1N1C(=O)C=CC1=O,0
CC(C)CC(C)NCCO,0
O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1,0
CC[Si](CC)(C[NH-])C[NH-].[Cl-].[Cl-].[Pt+4],1
Cc1[nH]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)O,1
CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ncccn1,1
Cc1ccc(C[C@]2(OCCN(C)C)CC[C@@H](C(C)(C)C)CC2)cc1.O=C(O)/C=C/C(=O)O,1
Cc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1.Cl,1
CCN(CC)CCNCC(=O)Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CNCCN(CC)CC)c(OC)c2)cc1OC,1
O=[N+]([O-])c1ccc(Cl)c2c([N+](=O)[O-])cccc12,1
O=C(Nc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,0
Oc1ccc(C=NNC(=S)Nc2ccc(F)cc2)c(O)c1,0
O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1,1
CC(=O)c1csc2ccccc12,0
Cc1c2c3cc(O)ccc3nc-2n(C)c2ccccc12,1
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](O)[C@@H](O)O[C@@H]2C(=C2CC(=O)C3=C(C2=O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(O)c4ccccc4c(O)c3c2O)cc1,1
CCOc1ccc(Nc2ccc(N)c(S(=O)(=O)O)c2)cc1,0
Nc1ccc(Oc2ccc([C@]34C[C@@H]5C[C@@H]6[C@H]3C[C@@H]3C[C@H]4[C@H](C5)[C@@]6(c4ccc(Oc5ccc(N)c(O)c5)cc4)C3)cc2)cc1O,1
CC1(C)S[C@@H]2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O.O.O.O,0
COc1ccc2c(c1)C(O)C(CO)C(C(=O)O)C2,0
Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(C)c1C,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)cc1[C@H](OC(=O)c1ccccc1)CC2,1
O=C(Cc1ncnc2c1ncn2C1OC(CO)C(O)C1O)c1ccccc1,1
CC1=Nc2ccccc2NC(C)(C)C1,0
C=C1C[C@](CN2CCC(=O)NC2=O)(c2ccccc2)OC1=O,1
O=c1ccsc2ccccc12,0
O=[N+]([O-])C=Cc1cc2ccc3ccccc3c2[nH]1,1
CC(=O)Nc1cc2c3ccccc3n(C)c2cc1[N+](=O)[O-],0
O=C(O)C(F)(F)F.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCCNCCCN1C(=O)c2ccccc2C2C(=O)c3ccccc3[C@H]21,1
Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl,0
Nc1cc(=O)[nH]c(=O)[nH]1,0
COCC1OC(OC2(COC)OC(COC)C(OC)C2OC)C(OC)C(OC)C1OC,0
COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1.Cl,1
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O,1
CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
O=C1OCCN1P(=O)(Cl)N1CCOC1=O,0
CC1=CC2OC3CC4OC(=O)/C=C/C=C/C(=O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1,1
COc1cc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)ccc1O,1
CCN(CC)CCc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O,1
CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12,1
Nc1ccn([C@H]2CC=C(CO)O2)c(=O)n1,0
Nc1c(Br)cccc1Br,0
COc1ccc(C2=NC(=O)NC2c2ccc(OC)cc2)cc1,1
NC(Cc1c[nH]c2ccccc12)C(=O)O,0
Nc1nc2cc(Cl)ccc2o1,0
Fc1ccc2nncc(SCc3ccccc3Cl)c2c1,0
C[C@H](NC(=O)N1CC1(C)C)c1ccccc1,0
CN(C)CCCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23,1
Cc1csc(=NCc2cccnc2)n1C,0
O=C(Nc1cccc(F)c1)c1cc2ccc(O)cc2oc1=Nc1cccc(F)c1,1
Cn1c(=O)c2[nH]c(NN=Cc3ccccc3)nc2n(C)c1=O,0
NC(=O)C(Br)CBr,1
CCOC(=O)N1CCC(=NNC(N)=O)C1,0
C1COCCOCCOCCOCCOCCO1.Cl[Sn](Cl)(c1ccccc1)c1ccccc1,1
Clc1nc(Cl)c2c3c(sc2n1)CCCC3,1
O=C(/C=C/C(Cl)(Cl)Cl)Nc1ccc(Cl)cc1,1
COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)c1O,1
CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(N(C)CCCl)cc6)nc5c4)nc3c2)CC1.Cl,1
N#Cc1c(-c2ccccc2)nc(SC[C@H](O)CN2CCOCC2)nc1N1CCOCC1,1
CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O,0
CCCNc1nc(N(C)O)nc(N(C)O)n1,1
CC(=O)C1CC[C@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)C3C(=O)C[C@]12C,0
O=C(OCCCN1CCCCC1)c1ccccc1,0
Nc1ncncc1-c1ccccc1,0
COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1OC(C)=O,1
CC1(C)S[C@@H]2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-].[K+],0
O=c1cc(-c2ccccc2)[nH]c(-n2[nH]c3c(c2=O)CCCC3)n1,1
OC(COCc1ccccc1)COCc1ccccc1,0
CCC(c1cccc(O)c1)C(CC)c1cccc(O)c1,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cccc(F)c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)c3ccccc3nc12,1
OCCCC1CCCCC1,0
Cc1ccc2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2n1,1
O=C(CNC(=O)c1ccccc1)OC(C(=O)O)c1ccc(F)cc1,0
CC(=O)Nc1ccc2c(c1)Cc1cc(N3C(=O)C=CC3=O)ccc1-2,0
O=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])o1,1
COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
NNC(=O)Cc1ccc2ccccc2c1,0
COc1ccc(CNC(=O)C(C)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)C(C(C)C)N(Cc2ccccc2)Cc2ccccc2)C(C)C)cc1OC,1
COc1ccc(C(=O)CCN2CCC(C)CC2)cc1,0
CCCCCCC[C@@H](CC(=O)NC(CO)C(=O)N[C@@H](CO)CC(C)C)OC(=O)C[C@H](CCCCCCC)OC(=O)C[C@H](CCCCCCC)O[C@H]1O[C@H](C)[C@H](O)[C@H](O[C@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)[C@@H]1O,1
CCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
COc1cc(C2C3=C(O)OCC3C(NCCN3CCCCC3)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
Cc1cc(=O)[nH]c(NN=C2CCCCC2C)n1,0
O=c1[nH]c(C(F)(F)C(F)(F)C(F)(F)F)no1,0
NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12,1
FC1(F)SC2C(C1(F)F)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,1
O=C1NC(=O)C(=Cc2cccs2)C(=O)N1,0
COc1cc(/C=C2\CC[C@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)C(=N)O[C@H]32)cc(OC)c1OC,1
c1ccc2c(c1)Nc1c3ccccc3nc3cccc-2c13,1
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@]3(O)C2)[C@@H](O)[C@@H](O)[C@H]1O,1
CC(=O)Oc1ccc(C2=Cc3ccc(OC(C)=O)cc3O[C@@H]2C)cc1,1
COc1cc(C2c3cc4c(cc3C(OCCN(C)C)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CC(C)c1ccc(C(c2ccc(OCC(=O)O)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1.[Na+],1
O=C(CCC1CCCCC1)OC1CCCCC1,0
O=c1ccncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,0
CN1CCN(CCNc2ccc(CO)c3sc4ccccc4c(=O)c23)CC1,1
Cc1ccc(C(=O)CCC(=O)O)c(C)c1,0
COC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3c(C)cccc3N12,0
COc1cc2occ(O)c2c(OC)c1O,0
OCc1cn(Cc2ccc(Cl)cc2)c2ccccc12,1
CCCCCCCCC=CCCCCCCCC(=O)OOC(=O)CCCCCCCC=CCCCCCCCC,0
Cc1cn2c(/C=N/N=C(N)N)c(-c3cccs3)nc2s1.Cl,1
O=C(c1ccccc1)N(C(=S)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1,1
Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1,0
CCOC(=O)Oc1c(OC)cc(C(=O)N[C@@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc1OC,1
CCOC(=O)CCN1CCN(c2ccccc2)CC1,0
Cl.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(Cl)ccc2o1,1
CN(C)CCC(C=Cc1ccccc1)=NNc1ccccc1.Cl,1
Cc1cnc2[nH]c(-c3sccc3C)cc(=O)c2c1,1
C=CCC1(CCCCC)C(=O)NC(=S)NC1=O,0
O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,0
CC(C)(C)CC1OC1CSC#N,0
CCCCOCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O,1
S=c1[nH]cnc2c1ccc1[nH]cnc12,0
CCOC(=O)C(NC(=O)Cc1ccccc1)C(=O)OCC,0
CSCSC[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,1
CC(=O)c1c(C)cc(C(C)(C)C)cc1C,0
O=CCCCOCc1ccccc1,0
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,0
O[C@@H](CNc1ccc(CSc2ccccc2)cc1)c1ccccc1,0
OCCn1c(O)c2c(c1O)C1CCC2O1,0
CC(=O)c1cc2c(s1)C(=O)c1sccc1C2=O,1
COc1ccc(Cc2nc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1,1
CC(Cl)=[N+]([O-])O,0
Oc1ccc2ccccc2c1N=Nc1nccs1,1
COc1cc2c3c(n(CCCNCCCNCCCNCCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
CN(C)CC[C@@]1(c2ccccc2)C=Cc2ccccc21.Cl,0
O=[Sb](c1ccccc1)(c1ccccc1)c1ccccc1,0
CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=O)CC1OC1OC(C)C(O)C(N)C1Br)C3=O,1
NNC(=O)c1cnccn1,0
NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1,0
O=P1(Cc2ccccc2)c2ccccc2-c2ccccc21,1
Cc1ccc2c(=O)cc(-c3ccc(Cl)s3)[nH]c2n1,1
ON=C1CCCCCCCC1,0
O=C(CCN1CC1)OCC1CCCO1,0
ClC(Cl)=C1C(=C(Cl)Cl)C(Cl)(Cl)C1(Cl)Cl,1
NC(CS)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CS)c2c(O)c3c(c(O)c12)C(=O)C=CC3=O,1
CCOC(=O)n1cccc1,0
O=C1C(=Nc2cccc(F)c2)C(Cl)C(=O)N1Cc1ccc(Cl)cc1,1
COC(=O)C1=C(C)N=C(C)C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1.Cl,1
O=C(O)c1c2c(nc3ccccc13)Cc1ccccc1-2,0
CC(=O)Nc1ccccc1C(F)(F)F,0
CCCCC[C@@H](O)C1C(=O)O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(\C)[C@@H](O)[C@H](O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O,1
c1ccc2sc(-c3ccncc3)nc2c1,0
Cc1ccc(F)c2[nH]c(-c3ccccc3)cc(=O)c12,1
CCOc1cccc(C=NNC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c1O,1
Cc1ccc(CC(=O)Nc2ccc(NC(=O)C=NC(=O)CCc3ccc(-c4ccccc4)cc3)cc2C(=O)c2ccccc2)cc1,1
O=C1C(=Nc2ccc(Nc3ccccc3)cc2)Oc2ccccc21,1
CCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](N)CC[C@@H]12.Cl,1
C[C@@H](N=C1CC(=O)c2ncccc2C1=O)[C@@H](O)c1ccccc1,1
O=[N+]([O-])c1ccc2c(Nc3ccccc3-c3ccccc3Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc34)c3ccccc3nc2c1,1
CN(C)CCNC(=O)c1cccc2ncc(-c3ccccc3)nc12.Cl,1
O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1,0
O=[N+]([O-])c1cc(Cl)c2[nH]c3c(Cl)cc([N+](=O)[O-])cc3c2c1,1
O=C1C=C(N2CCNCC2)C(=O)c2c(O)ccc(O)c21,1
O=C1C=C(c2ccccc2)C(c2ccccc2)C1c1ccccc1,0
CNCCC/C=C1\c2cc3c(cc2-c2c1c1cc(OC)c(OC)cc1c(=O)n2C)OCO3,1
COc1cc2cnc3c(c2c(OC)c1OC)Cc1cc2c(cc1-3)OCO2.Cl,1
O=C(Nc1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1,1
Fc1cccc(CSc2ncnc3c2ncn3[C@@H]2CCCCO2)c1,0
COc1cc(N=C2C=C(Br)C(=O)C(Br)=C2)ccc1O.[Na+],0
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5[C@@H]3C4.O=C(O)C(O)C(O)C(O)C(O)C(O)CO,0
CNc1nc(NC)nc(NNC(=O)c2ccccc2)n1,0
Cc1ccc(C(=O)NC2C(=O)NC(Cc3ccc(O)cc3)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(Cc4ccc(O)cc4)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]3C)c1=N2,1
C[C@@H]1CN1P(=O)(Oc1ccccc1)N1C[C@H]1C,0
CCOC(=O)N1CCN(CCCCCOc2ccccc2C2CCCCC2)CC1,1
COC(=O)CN=C(CCCO)C(C#N)c1nc(=O)c2ccccc2[nH]1,0
CCC(C)C1CCCCC1O,0
CCCCNP1(NCCCC)=NP(NCCCC)(NCCCC)=NP(NCCCC)(NCCCC)=NP(NCCCC)(NCCCC)=N1,1
CCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1ccccc21,0
CN(Cc1ccc(Nc2ccccc2)cc1)C1CCCCC1,0
CCOc1ccccc1F,0
O=CC(Br)=Cc1ccccc1,0
O=S(=O)(c1ccccc1)C(Br)S(=O)(=O)c1ccccc1,0
Nc1ncc2[nH]c(N)nc2n1,0
CCOC(=O)CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1,1
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O,1
CCN1CCC[C@H](Sc2nc3c(=S)n(C)c(=O)n(C)c3[nH]2)C1,0
CCN(CC)CCCNCc1cc(-c2ccccc2)nc2cc(Cl)ccc12.O=S(=O)(O)O,1
CC[n+]1c(/C=C/c2ccc(N3CCCC3)cc2)cccc1/C=C/c1ccc(N2CCCC2)cc1.[I-],1
Oc1ccc(Cl)cc1CN1CCN(Cc2cc(Cl)ccc2O)C1,1
N#CC1C(=N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)C=C1C1CC1,1
C[C@@H](c1ccccc1)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccccc1,0
C1COCCN1.S=C(S)N1CCOCC1,1
CCCNS(=O)(=O)c1ccc(Cl)cc1,0
NC(=O)c1ccccc1OCC(=O)O,0
Cc1ccc(S(=O)(=O)N(C)N=O)cc1,0
CCOC(=O)c1cc([N+](=O)[O-])c(Sc2ncnc3[nH]cnc23)c([N+](=O)[O-])c1,1
O=C1OCC/C1=C\OCCCO/C=C1\CCOC1=O,0
CC(C)(C)c1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1,1
O=C(/C=C/c1cccs1)c1cccs1,0
COc1cc(CNC2c3cc4c(cc3C(c3cc(OC)c(OC)c(OC)c3)C3C(=O)OCC23)OCO4)cc(OC)c1OC,1
Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C(C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],0
COc1ccc(NC(=O)c2cc(NC(=O)/C=C/c3ccccc3)c(OC)c(OC)c2)cc1,1
O=C(Nc1ccccc1O)c1cccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)c1,1
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1F,1
CC(O)CN(CCO)CCN(CCO)CC(C)O,0
COc1ccccc1Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1,0
C=C1CC[C@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O,1
OCCOCCOCCOCCO,0
CCOC(=O)C(=O)c1c(C)[nH]c2ccccc12,0
Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1,0
COc1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1,1
CCOC(=O)Nc1ccc(OC(=O)Oc2ccc(NC(=O)OCC)cc2)cc1,0
N#CC(C#N)=C/C=C(\Sc1ccc(Cl)cc1)c1ccc(F)cc1,1
c1ccc(/N=C2/c3ccsc3/C(=N\c3ccccc3)c3ccsc32)cc1,1
Clc1ccc(C(Cl)(Cl)Cl)c(Cl)c1,0
O=C1/C(=C/c2cccc(Cl)c2Cl)N=C(c2ccccc2)N1C1CC1,1
Cc1ccc(O)c(N2C(NCCc3ccc(S(N)(=O)=O)cc3)=NS(=O)(=O)c3cnccc32)c1,0
CC(C)CNC(=O)CCl,0
CC(=O)OC/C=C1/CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,0
COc1ccc(-c2n[nH]c(Sc3c([N+](=O)[O-])ncn3C)n2)cc1,1
COC1=CC(=O)O[C@H](c2ccco2)C1,0
CNc1nc(SCc2ccc(F)cc2)ncc1C,0
CN(C)CCCNc1ccc2nnn3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4c(=O)c1c23,1
C[C@H]1CC[C@@](O)(C(C(=O)O)c2ccccc2)CC1,0
CCCNC(=O)OCc1c(COC(=O)NCCC)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2,1
Oc1coc(O)c1Cc1ccccc1,0
Cn1cnc([N+](=O)[O-])c1N1c2ccncc2Sc2ccncc21,0
CCCOC(=O)c1ccc(OCC)cc1,0
CC1=C([Se]CC(OC(=O)c2ccc(-c3c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)C(=O)NC(C)(C)C)C(=O)c2ccccc2C1=O,0
CC1COCC(C)N1,0
CC1(C)OC(=O)NC1=O,0
Cc1ccccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12,0
CC(=O)CC(=O)N1CCN(C(=O)CC(C)=O)CC1,0
CCOC(=O)c1cocc1C(=O)O,0
CN1CCC(C(=O)C(=O)O)C1=O,0
Cn1c(=O)c2[nH]c(CCCc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)nc2n(C)c1=O,0
CCOC(=O)C(C(C)=N)c1cc(O)[nH]c1O,0
CCCN1CCN(CCCO)C[C@H]1C,0
O=C(NCCCCCCNC(=O)OCc1ccccc1)OCc1ccccc1,0
COC(=O)C1(C)COP(=O)(NC23CC4CC(CC(C4)C2)C3)OC1,0
CCOc1cc(C=C2COc3ccc(-c4ccccc4)cc3C2=O)ccc1O,0
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O,1
Nc1nc2ccc(Cl)cc2o1,0
Cc1nnc(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)s1,0
c1ccc2c3ccn4ccc5c6ccccc6[nH]c5c4c-3nc2c1,1
C=CCNc1c(O)cc2c(O)c1C=C(C)C[C@@H](OC)[C@@H](OC(=O)CN)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)N2.Cl,1
Nc1ncncc1-c1ccc2ccccc2c1,0
COc1ccc(Nc2nc(N)c(C(=O)c3ccc(OC)cc3)s2)cc1,1
O=C(Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1O,1
CNc1nn[nH]n1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(S(=O)(=O)F)cc2)cc1.CCS(=O)(=O)O,1
Cc1ccc([PH](Cc2ccc([N+](=O)[O-])cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,1
C=c1c(O)c2c(c(O)c1NCCC)=C(COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21,1
COC(=O)CC1=Nc2ccccc2SC1C(=O)OC,0
C=c1c(O)c(N2CC2)c(=C)c(O)c1N1CC1,1
O=[N+]([O-])c1ccc2c3c1[C@@H]1O[C@@H]1c1cccc(c1-3)[C@@H]1O[C@H]21,1
O[C@H](COc1ccccc1Cl)CN1CCN(c2cccc(Cl)c2)CC1,0
COc1ccc2c(Cc3c4ccccc4cc4ccccc34)cncc2c1O,1
CC1=C([Te]c2ccccc2)C(=O)c2ccccc2C1=O,1
OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1O)CCC3,1
COc1ccc(-c2cc(-c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc5ccc(Cl)cc5)n4)cc3)nc(N)c2C#N)cc1,1
CC(=O)N(C(C)=O)c1ncn(C)c1S(=O)(=O)Nc1ccccc1,0
Cc1cc(C)cc(Nc2nnc3n2S(=O)(=O)c2cc(C#N)c(Cl)cc2S3)c1,1
CN1CCCN(C(c2ccccc2)c2ccc(Br)cc2)CC1,1
CC1(C)CCOC1=O,0
N#Cc1c(NC(=O)c2cccs2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],0
CC[C@H](C)C1NC(=O)C(NC(=O)c2c3nc4c(C(=O)NC5C(=O)NC([C@@H](C)CC)C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]5C)ccc(C)c4oc-3c(C)c(=O)c2N)[C@H](C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O,1
CCOC(=O)/C=C(\C(=O)OCC)n1ccc(=O)n(/C(=C/C(=O)OCC)C(=O)OCC)c1=O,1
COC(=O)c1cc(NC(=O)OCc2ccccc2)nn1C,0
Cc1nc(NN)c([N+](=O)[O-])c(NN)n1,0
O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl,0
O=C1OI(C#Cc2ccccc2)c2ccccc21,1
C/C(=N\N=C(/C)[C@@H]1C[C@@H](CC(=O)O)C1(C)C)[C@@H]1C[C@@H](CC(=O)O)C1(C)C,0
Clc1ccc2c(c1)N(CCCN1CCCC1)c1ccccc1S2,1
CCOc1ccc2nc(S(N)(=O)=O)sc2c1,0
CC1(C)CC(=N)CC(=O)C1,0
CN(C)CCNC(=O)c1cccc2nc3cc(Cl)ccc3nc12.Cl,1
Nc1ccc([N+](=O)[O-])cc1N,0
O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccccc1,0
Nc1cccc2c1Oc1ccccc1O2,0
O=C(NCCc1c[nH]c2ccccc12)C1Cc2ccccc2CN1C(=O)c1ccco1,0
Cc1cccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1,0
CCCCN(CCCC)S(=O)(=O)c1ccccc1,0
CCCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[I-],1
O=CNC(C=O)C(O)C(O)C(O)CO,0
Cc1ccccc1C(=O)N1C[C@H]1C,0
Cc1cc(C(F)(F)F)nc(NNc2nc(C)cc(C(F)(F)F)n2)n1,0
CC=C(Br)C(=O)O,0
COCCCN=C(N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)NCCCOC)cc3)cc2)cc1.Cl,0
CCN(CC)CCNc1ccc(Cl)cc1Cl,0
CSC(=Nc1ccccc1)N(C1=NC(N(C)C)=[SH]S1)c1ccccc1.[O-][Cl+3]([O-])([O-])O,1
Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O,0
NC(=O)N=CC1CCCOC1=O,0
Cn1c[n+](C)c2ccccc21.[I-],0
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3c2ncn3C)C(O)C1O,1
CCOC(=O)c1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(OC)c(OC)c3)C2C)OCO4)cc1,1
C[C@H](O)c1cccnc1,0
COc1ccc([C@H]2SCC(=O)N2CCc2cccs2)cc1,0
CCCC1CCNCC1,0
COc1ccc(C(=Cc2ccccc2)C(=O)O)cc1,0
N#Cc1ccc(NC(=O)NN2CCCCCC2)cc1,0
O=C(O)c1ccc([N+](=O)[O-])cc1Sc1ccsc1,0
Oc1ccc(C=NNC(=S)Nc2ccccc2)nc1,1
Clc1ccc(C2N(Cc3ccccc3)CCC3CCCCN32)cc1Cl,0
N#CC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1,0
CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])o2)cc1,1
O=[N+]([O-])c1cccnc1Oc1cccnc1,0
CSc1nc(N)c2[nH]cnc2n1,0
C(=NNc1ccc2ccccc2n1)c1ccccn1,1
Cn1c(=O)nc(N)n(NC(=O)CCl)c1=O,0
O=C1C[C@H](O)c2c(Cl)sc(Cl)c21,1
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.O=C([O-])c1ccccc1C(=O)O,1
O=C1CC2CC1C1C=CCC21,0
COC(=O)c1nn2c(c1C(=O)OC)Cc1c(c(O)n(-c3ccccc3)c1O)C2,0
Nc1nnc2cc(Br)ccc2n1,0
C=c1nc2sc(C)cn2c1=Cc1c(O)[nH]c2ccc(O)cc12,1
Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1,0
Fc1ccc2c(c1)C1=NN(c3ccccc3)[C@@H](F)[C@H]1CO2,1
S=c1nc(-c2ccccc2)o/c(=N\C2CCCCC2)n1C1CCCCC1,1
NC1CCCCC1.O=[P@](O)(NCCCO)N(CCCl)CCCl,0
COc1cc(OC)c([N+](=O)[O-])cc1Cl,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3ccccc3c1)CN2,1
CCCC[Sn+2]CCCC.O=C([O-])c1cccnc1[O-],1
CCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]c(N)nc32)[C@H](OC(=O)CC)[C@@H]1OC(=O)CC,1
C=CCn1c(-c2ccc(N=NNc3ccc(-c4n[nH]c(=S)n4CC=C)cc3)cc2)n[nH]c1=S,1
N#Cc1c(Cl)c2cccnc2n2c1nc1ccccc12,1
COc1ccc(-n2c(O)c3c(c2O)-c2[nH]c4ccccc4c2C(c2ccc(Br)cc2)C3)cc1,1
O=C(CC(=O)Nc1ccccc1)NNC(c1cc(N=Nc2ccc(Br)cc2)ccc1O)[PH](=O)O,1
CN1CC[C@@]2(O)OCCC[C@@H]2C1,0
COc1cc2[nH]c(N3CCN(C(=O)C4CCCO4)CC3)nc(=N)c2cc1OC.O.O.[Cl-].[H+],0
COc1ccc(-c2c(C#N)cnc(C)c2C)c(O)c1OC,0
CCOC(=O)c1ccc(NC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)cc1O,1
O[C@@H](COc1ccccc1)CN1CCOCC1,0
CCOC(=O)Nc1sc2c(c1C#N)C[C@@H](C)CC2,1
NC(=S)N/N=C1/CCCCC12CCCC2,0
O=C1NC(=O)C2(CCCCCC2)N1,0
O=C1C=C/C(=N/c2ccc(F)cc2)O1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@@H]1C[C@@H](N)[C@@H](O[C@@H]2CCCCO2)[C@@H](C)O1)C3=O.Cl,1
O=C(NC(Cc1ccc(O)cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1,0
CCCCCc1cc(Br)c(OC)c(OC)c1,0
CCCCCCCCCC[C@H]1O[C@H]([C@@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCC[C@H](O)CC3=C[C@H](C)OC3=O)O2)CC[C@H]1O,1
C=CCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,1
CC1=Nc2c([nH]c(=S)[nH]c2=O)N[C@H](c2c(Cl)cccc2Cl)C1,1
CN(C)N=Cc1ccccc1O,0
CC(=O)C=CC1=C(C)CCCC1(C)C,0
COc1ccc([C@]2(OC)Oc3cc(OC)ccc3C(=O)[C@@]2(O)OC)cc1,0
Oc1[nH]c2ccccc2c1N=NC(=S)Nc1ccccc1Cl,1
CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(N)nc2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,1
CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)nn2C)nn1C,1
COc1ccc2ccccc2c1C1NC(=O)c2ccccc2N1,1
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)O)c1,0
S=C(NN=Cc1ccccn1)Nc1ccc(Cl)cc1,1
COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC,1
O=C(NCC1CC1)NC(=O)c1c(F)cccc1Cl,0
CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1,1
C=CCNc1n[nH]c(=S)s1,0
O=[N+]([O-])c1cccc(C=NNc2ccc3ccccc3n2)c1O,1
COc1ccc(NC=O)cc1,0
N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O,1
CN1CCN(C([S])=S)CC1.CN1CCN(C([S])=S)CC1.[Cu+2],1
[O-][S+](Cc1ccccc1)C(=Cn1cc(O)[nH]c1=S)c1ccccc1,0
Cc1ccc(O)c(C=O)c1,0
C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2],0
CCOC(=O)CC[C@@]1(C(=O)OCC)Oc2ccc(Cl)cc2C1=O,0
O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21,1
O=C(OCCO)N1CCN(CCO)CC1,0
COc1ccc(CNc2cc(OC)c(OC)c(OC)c2)cc1,1
O=S1(=O)CCC2CC(C(F)(F)F)=CC(C(F)(F)F)=CN21,1
Oc1ccccc1C=NN1CCCCCC1,0
Oc1ccc(C=NNc2nnc(NN=Cc3ccc(O)cc3O)c3ccccc23)c(O)c1,1
CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-],0
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1CCl,1
S=C1NCCCN1,0
COc1cc(C=C[N+](=O)[O-])ccc1OCc1ccccc1,1
Cc1ccccc1C1N=C2Oc3ccccc3C=C2C(=O)N1,1
CC1=CC(C)(C)NC(=S)N1CCO,0
COc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1OC,1
Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2cccc(O)c12,0
C=C1[C@@H](C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C=CCC(=O)CC[C@H](C)C/C=C/[C@@H]3[C@@H]1O,1
OC1(Cc2ccccc2)CCNCC1,0
O=C1c2ccccc2-c2nc3ccccc3n21,0
CC(=O)OCc1cc(=O)n(C)c2c3c4c(cc12)c(C)cc(=O)n4CO3,1
CC[P+](C#Cc1ccccc1)(c1ccccc1)c1ccccc1.[I-],1
CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O,1
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OC[C@H](O)[C@@]5(C)OC5C(=O)OC[C@@]2(C[C@H]1O)[C@]4(C)[C@@]31CO1,1
N#CN1CCOCC1,0
Nc1nc(N)c2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2n1,1
CC1(C)CN[C@@H]([C@H]2CCC=CO2)O1,0
NP(=O)(Nc1ccccc1)Nc1ccccc1,0
CCCCCCCCCCC(CO)CCCCCCCC,0
CC(=NNC(=S)NC(C)(C)C)c1nc2cccnc2[nH]1,1
CC(=O)N1N=C(c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ccc(Cl)cc4)n3)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1,0
CCOC(=O)C1CCNC(=O)C1=O,0
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC,0
O=c1cccc(C#Cc2ccccc2)o1,1
O=P1(NCCCl)OCCCN1CCCl,0
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,1
Cc1c[nH]c(N=Nc2ccccc2)n1,0
CCOC(=O)/C=C/C[C@@H]1CCNC1,0
CS(=O)(=O)OCCCS(=O)(=O)O,0
Cc1nc([N+](=O)[O-])cn1CC(Cl)Cn1cc([N+](=O)[O-])nc1C,0
COc1ccc2/c(=C/c3ccc(N(C)C)cc3)c3cc(-c4ccccc4)[n+](C)n3c2c1.O=S(=O)([O-])C(F)(F)F,1
O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2O)nc1,1
Nc1c(CNCc2nnn(Cc3ccccc3)c2N)nnn1Cc1ccccc1,0
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O.O=C(O)C(F)(F)F,1
Cc1nc2cc(Cc3ccccc3)ccc2o1,0
CC(Cc1cccc2ccccc12)C(N)=O,0
Cl.O=C1/C(=C\c2ccc(Cl)cc2)CCC1CN1CCOCC1,1
CC(=O)NN(c1ccccc1)C1CCN(c2ccccc2)N1C(C)=O,1
CC1OC(OC2CC(O)(C(=O)CF)C=C3C(=O)c4c(c(O)c5ccccc5c4O)C(=O)C32)CC(N)C1O,1
Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C6OC(c7ccccc7)OC6C5OC5OC(C)C(O)C(O)C5O)c4c4oc(=O)c1c2c34,1
O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc2c(c1)OCO2,0
OCC1Cc2ccccc2C1,0
CCCCCCCCCCC(C(O)c1ccccc1)N1CCCCC1,1
CC(=O)N(c1ccccc1)C(C(=O)c1ccccc1)c1ccccc1,0
O=C1C=CC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]12)[C@@H]1[C@H]3[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl,1
O=C(O)c1ccncc1,0
COc1ccc(C(=NN=C(N)N)c2ccc(OC)cc2)cc1.Cl,1
Cc1cc([N+](=O)[O-])ccc1N,0
CCOC(=O)C(=Cc1ccccc1)C(=O)O,0
COc1ccc(COC(=O)Sc2nc(C)cc(C)n2)cc1,0
COCCOCCCl,0
Cc1cccc(-c2nc3c(C(=O)NCCN(C)C)cccc3[nH]2)c1.Cl,1
COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc(OC)c1OC,1
O=S(=O)(O)SCCN1CCOCC1,0
Cc1cnc2[nH]c(-c3ccc4ccccc4c3)cc(=O)c2c1,1
NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)ccc2=O)cc1,0
Cc1ccc(-n2cnc3c(=O)[nH]cnc32)cc1[N+](=O)[O-],0
CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1,1
COc1cc2c(cc1OC)C1C(=O)c3cc4c(cc3[C@@H]1N(CCN(C)C)C2=O)OCO4,1
CCN(CC)c1cccc(OC(=O)Nc2ccc(OC)cc2)c1,0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@H]1O,0
CC(Oc1ccccc1-c1ccccc1)C(=O)N(C)C,0
CCCCCCCCCCCC1=NC(C)(C)CN1C[C@H](C)O,1
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1O,1
O=C1OCCC1=Cc1ccc(O)cc1,0
CN1CCN(c2nc(=O)cc(N)[nH]2)CC1,0
CCc1c(CC(=O)O)c2cc(C)ccc2n1Cc1ccc(Cl)cc1.[K+],0
COc1cc(-c2cn(-c3ccc(-n4cc(-c5ccc(Cl)cc5)[nH]c4=O)cc3)c(=O)[nH]2)cc(OC)c1OC,0
CC(=CC(=NN=C(N)N)c1ccccc1)c1ccccc1.Cl,1
CCOc1cccc(C=NNC(=O)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c1O,1
C=CCOC1=CC(=O)c2ccccc2C1=O,1
O=C(O)c1cccc(Cc2cccc(C(=O)O)c2)c1,0
Cc1cc2cc3cc(C)c(N(C)C)cc3nc2cc1N(C)C.Cl,1
COc1ccc(C(=O)COc2cccc(/C=C3\Cc4ccc(Cl)cc4C3=O)c2)cc1,0
C=C(Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C(=O)Nc2ccccc2N)cc1,1
Cc1n[nH]c(NN=Cc2ccc([N+](=O)[O-])o2)nc1=O,1
CS/C(C#N)=C(\C#N)SC,1
O=C(CCCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2,0
CCCSc1ccc2[nH]c(N3C(=O)C(=Cc4ccc(O)c(OC)c4)N=C3c3ccccc3)cc2c1,1
Cc1ccnc(Nc2nc3ccccc3[nH]2)n1,0
Nc1ncncc1-c1ccccc1Cl,0
CCCOc1ccc(-c2nc(-c3ccc(N)cc3)cs2)cc1,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)ccc1OCCN1CCCC1,1
O=c1[nH]c(=S)[nH]cc1Oc1ccc(Cl)cc1,0
COc1cc2c(C=C3C(=O)Nc4ccc(O)cc43)c(Cl)[nH]c2cc1C,1
Cn1cc(Cc2ccccc2)c(=O)c(Cc2ccccc2)c1,0
N#Cc1n[nH]n2c1nc(=O)c1sc3ccccc3c12,0
CC(=CC(=O)c1ccccc1)c1ccccc1,0
N#CC(C#N)=C/C=C(\Cl)c1ccc(Cl)cc1,1
C[C@@H]1CN=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=NC[C@@H](C)N5)cc4)cc3)cc2)N1.Cl,0
CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.[Cl-].[H+],1
COc1cc2c(cc1OC)[C@@H](Nc1ccc(C#N)cc1)[C@H]1COC(=O)C1[C@H]2c1cc(OC)c(O)c(OC)c1,1
Cc1cc(=O)[nH][nH]1,0
Nc1c2c(=O)[nH]c(O)cc2nn1-c1ccccc1,0
Cl.NCCNC(=O)c1cccc2cc3ccccc3nc12,1
C[C@@H]1CCCC/C1=N\NC(=O)c1ccccc1,0
c1ccc(CN2CCN3CCN(CC2)CCN(Cc2ccccc2)CC3)cc1,1
CC(Cc1ccccc1)NC(=O)CCNNC(=O)c1ccncc1,0
COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=CC[C@H](C)[C@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1=CC[C@H](C)[C@@H]2O,1
COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n2c(=O)n(-c3ccccc3)c(=O)n21,1
Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1,0
CC12CCC3c4ccc(Oc5nc(N6CC6)nc(N6CC6)n5)cc4CCC3C1CCC2=O,1
COC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OC)cc2)cc1,0
CC(=O)CC(=O)NCCN1CCN=C1C,0
O=S(=O)(C=CC=CS(=O)(=O)c1ccccc1)c1ccccc1,1
CCCCc1c(C)[nH]c(=S)[nH]c1=O,0
Nc1ccn([C@@H]2CCCCO2)c(=O)n1,0
Oc1ccc2cc(Br)ccc2c1-c1c(O)ccc2cc(Br)ccc12,1
Oc1oc(O)c(-c2ccccc2)c1-c1ccccc1,0
O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1,0
O=C(Nc1ccccc1)OCCc1ccccn1,0
CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2O)[C@H]1C)OCO3,1
O=C(O)c1cc(NCCO)c(C(=O)O)cc1NCCO,0
O=C1CCCc2ccc3ccccc3c21,0
C#CC(C)(O)CCCCCC,0
COc1cc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)cc(OC)c1O,1
CCN=CC(=O)Nc1ccc2c(O)c3cc(NC(=O)CNCC)ccc3c(O)c2c1,1
O=C(N=C(Cc1ccc(CC(=NC(=O)c2ccccc2)c2nc3ccccc3s2)cc1)c1nc2ccccc2s1)c1ccccc1,1
CC1(C)N=C(N)N=C(N)N1c1cccc(Br)c1.Cl,1
COc1cccc(N)c1,0
COc1cccc2c1CCCC2,0
CCN(CC)CCCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,1
CCNC(=O)O/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,1
CC(C)CCC1(CCO)C(=O)NC(=S)NC1=O,0
Oc1[nH]c(O)c2c1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl.c1ccccc1,1
COc1cc2ccc(C=C[N+](=O)[O-])cc2cc1OC,1
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c[nH]c3ccc(Br)cc23)c1,1
O=c1cccc(C#CC#C[C@@H]2O[C@H]2CO)o1,1
CC(=O)Nc1c(Br)cc2c(c1Br)C(=O)c1ccccc1-2,0
O=C(C=Cc1ccccc1)C1CC1,0
CCOC(=O)C1CN(CCc2ccccc2)CCC1=O,0
O=C1NC(=O)C(=CC=Cc2ccccc2)C(=O)N1,1
Cc1cnc2[nH]c(-c3cccc(Cl)c3)cc(=O)c2c1,1
CCCCCCCCCCCCCCCCCC[S@+](C)CC.[I-],1
Cc1c2cc[nH]cc2c(C)c2c1nc1ccc(Oc3ccccc3)cc12,1
COc1cccc([C@@H](CCc2cc(OC)c(OC)c(OC)c2)NC(C)=O)c1,0
COc1ccc2c(c1)sc1nc(-c3ccc(N(C)C)cc3)cn12,0
CCN1CC[C@](O)(/C=C/c2ccc(Cl)c(Cl)c2)C(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1.Cl,1
Oc1c2c(c(O)n1N=C1CCCCC1)[C@H]1C=C[C@@H]2O1,0
N=c1ccc2c(c1)[nH]c1c3ccccc3[nH]c3cccc2c31,1
CC(=O)O[C@H]1[C@@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@@H]1c1ccccc1,1
CCOC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,1
COc1ccc(CC[N+](C)(C)C)cc1OC.[I-],0
N#CCCN1CCN(CCC#N)C1=S,0
CC(C)(C)c1ccc[nH]1,0
Cc1cc2cc3ccc(N(C)C)cc3nc2cc1N,1
CCN(CC)CC[C@@H](CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12)c1ccccc1.Cl,1
COc1ccc2c(C)cc(SCC(=O)Nc3c(C)n[nH]c3C)nc2c1,0
Clc1ccc(N2c3nc4ccccc4cc3Sc3cc4ccccc4nc32)cc1,0
O=c1[nH]c2ccccc2n2cc3ccccc3c12,1
CC1=CC2(C)C(C3C(C)=CC2(C)C(=O)C3(C)O)C(C)(O)C1=O,0
CCCCCC(C)NCC(C)O,0
O=C(CCl)NN=C1CSc2cc(Cl)ccc2N1,1
CCCCCC(=O)OC1CCCCC1C(C)C,0
Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-],0
CN1CCC(=N)NC1=O,0
Cc1ccc(Cn2c(C)nc3c2C(=O)c2ccccc2C3=O)cc1,1
C[N+](C)(C)CC(=O)N=NC(C(=O)Nc1c(Cl)c(O)c2ccccc2c1O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1.Cl,1
CN1CN(c2ccccc2)C2(CCN(CCCSc3ccccc3NC(=O)C=Cc3ccccc3)CC2)C1=O.Cl,1
CCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1,0
CC1=CC(C)(C)NC(=S)N1c1ccc([N+](=O)[O-])cc1,0
O=NN(CCCl)C(=O)NCCc1cccc[n+]1[O-],0
O=C(NCCCOc1ccc([N+](=O)[O-])cc1Cl)OCc1ccccc1,0
C[C@H]1C=C(C[C@H](O)CC#CC#CCCCCC[C@@H](O)[C@H]2CCC(=O)O2)C(=O)O1,0
c1ccc([Se]CCCN2CCNCCNCC2)cc1,0
CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)[C@H]1C)OCO3,1
O=[As](O)(O)c1ccc(N2CNc3nncn3C2)cc1,0
Cc1ccc(CNc2ccc(C)cc2)cc1,0
Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O,0
c1ccc(OCCN2CCNCC2)cc1,0
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2nnc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c3[N+](=O)[O-])s2)c1[N+](=O)[O-],1
C=C(CN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccc(C(=S)Nc2ccccc2N)cc1,1
Clc1ccccc1/C=C/C=C1c2ccccc2-c2ccccc21,0
CCOc1cccc(C=NNC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c1O,1
O=C1c2c(Br)sc(Br)c2[C@H]2OC(=S)NC12,1
CN(C)c1nc(O)c(-c2ccccc2)o1,0
C[C@@H]1CNC(=S)SSC(=S)N1,0
Cc1cc(=O)n(-c2cccc(S(=O)(=O)O)c2)[nH]1,0
COc1ccc(-c2ccc(OC)c(OC)c2OC)c(OC)c1OC,0
CCCCCCCCCCCCCCCCSC(=S)N1CCCCC1,0
CC(C)COP(=O)(OCC(C)C)OCC(C)C,0
Cn1cccc1-c1cc(-c2ccc(Br)cc2)n(C=O)c(=O)c1C#N,0
O=C(O)CSc1nc2cc(Br)ccc2[nH]1,0
CCOc1ccc(C(=O)O)c(O)c1,0
CC(=NNC(=O)c1ccccc1N)c1ccccc1O,1
CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1,1
c1ccc(Nc2cccc3ccccc23)cc1,0
CCN(CC)c1ccc(C=NNC(=O)Cc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1,1
CCNC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C,1
COC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2,1
CC[C@H](C)S[C@H]1SCC2C(=O)N(C)[C@@]3(C[C@H]3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)[C@@]1(C[C@H]1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C,1
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)O,1
c1ccc2c(c1)Sc1ccccc1S2,0
Cc1cc2c(cc1Cl)ncn2C,0
Cc1cc(=O)[nH]c(NN=Cc2cc(Br)ccc2O)n1,1
O=c1c2ccccc2c2ccccc2c(=O)n1Nc1ccccc1,0
CCCCCCCCCCCC(=O)Nc1ccc(SSc2ccc(NC(=O)CCCCCCCCCCC)cc2)cc1,0
Cc1ccc(S(=O)(=O)OCCCCCOS(=O)(=O)c2ccc(C)cc2)cc1,0
COc1ccc2nc3ccc(OC)cc3c([S@+]([O-])Cc3ccccc3)c2c1,1
CC(C)(CN1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)O)c1ccc(Cl)cc1,1
CC(C)C(O)C(=O)NC1Cc2ccc3c(c2)[C@]24c5cccc(c5N[C@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O,1
O=C(Cc1ccccc1)c1ccc(O)c(F)c1,0
COc1ccc(C(NC(=O)c2ccccc2)C(O)C(=O)OC2CC3(O)C(OC(=O)c4ccccc4)C4C5(OC(C)=O)COC5CC(O)C4(C)C(=O)C(OC(C)=O)=C(C2C)C3(C)C)cc1,1
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[Rh].[Rh],1
O=C(NCCCNCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1cc(-c2ccccc2)nc2ccccc12,1
CC1(C)Cc2c(C#N)c(N)c3c(c2CO1)C(=O)OC3=O,0
O=C(NCc1ccco1)c1cccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)c1,1
COc1cc2cc[n+]3c(c2cc1OC)C(=O)c1ccccc1-3.O=S(=O)([O-])O,1
CN1CCN(C[C@@H](O)COc2c(Br)c(Br)c(Br)c3c2OC(C)(C)C3)CC1.Cl,1
O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1,0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1,1
Cc1ccc(S(=O)(=O)OC2CCCCC2Br)cc1,0
Cc1cc(O)c(C(C)C)cc1N.Cl,0
O=C(Cc1ccccc1)NC(O)C(Cl)(Cl)Cl,0
COc1cc([C@@]23OC[C@@H]4[C@@H](OC[C@@H]42)c2cc4c(cc23)OCO4)cc(OC)c1OC,1
Oc1c(C=CCc2ccc(C3CCCC3)cc2)c(O)c2ccccc2c1O,1
Nc1cc(N)[nH]c(=S)n1,0
CCN(CC)CCNc1c(C)nc(C#N)c(N)[n+]1[O-],0
COc1ccc2nc3ccccc3c(NCCCCCN(CCCl)CCCl)c2c1.Cl,1
S=C(NN=Cc1ccccn1)N1CCCCCC1,1
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0
CC(=O)N=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1,1
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccccc1O)SC(=N)N2,1
CC1CN(C(=O)c2ccccc2)CCC1=NO,0
O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)NN=Cc1ccccc1O,1
COc1cccc(C=NNC(N)=S)c1OC,0
NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1,1
CCN(CC)CC(O)CNc1c2ccc(Cl)cc2nc2ccc(OC)cc12,1
COc1cc(C2c3cc4c(cc3C(NCc3cccc(C#N)c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CC(C)N1CC(=O)N2CSCC2C1=O,0
COc1cc2c3c(n(CCCNCC(OC)OC)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
COc1ccc2nc3c(C(=O)NCCN(C)C)cccc3cc2c1.Cl,1
COc1cccc(CN(c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1,0
CC1CC(=O)C2(O)C#CC=CC#CC3Nc4c(cc(O)c5c4C(=O)c4ccccc4C5=O)C24OC134,1
COc1ccc(Br)c2c1C(=O)CC2,0
O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0
Cc1cc(O)ccc1N=C1C=CC(=O)C=C1.[Na+],0
CN(C)P(=O)(N(C)C)N1CC1,0
Cc1nc(=O)c(N=O)c(N)[nH]1,0
C=CCc1cccc(C=NNC(N)=NO)c1O.Cc1ccc(S(=O)(=O)O)cc1,1
CC(C)CC(C)(C[N+](=O)[O-])C[N+](=O)[O-],0
CN(C=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1,0
CCOC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)OCC,1
CNS(=O)(=O)c1ccccc1,0
Cc1ccc(OC(=O)CCC(=O)Oc2ccc(C)cc2C)c(C)c1,0
O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
Nc1cc(Cl)c(F)cc1Cl,0
O=C1CCN(C(=O)c2ccccc2)c2ccccc21,0
C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@H](Br)C2,1
CC(=O)O[C@@H]1CCCC[C@@H]1C1CCCCC1,0
CN(CCCCCl)[P@](=O)(OCC1=CC(=O)c2ccccc2C1=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O,1
C=CCCCCCCCCC(=O)[O-].CCCC[Sn+](CCCC)CCCC,1
NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1,0
O=C1/C(=C(/c2ccccc2)N2CCOCC2)Cc2ccccc21,1
CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,0
CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1,0
O=c1[nH]nc(Sc2ccccc2)c(=S)[nH]1,0
N=C(N)N=c1[nH]c2ccc(Cl)cc2[nH]1,0
CCOc1ccccc1[C@@H](O)C1=CC(=O)c2ccccc2C1=O,0
COc1cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1O,1
CCC(=O)Oc1c(Cl)cc(Cl)cc1-c1ccccc1,0
CC1=NC(=O)C(C)CC=C1,0
CO[C@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(=O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)oc6c(C)c(O[C@@H]7OC(C)(C)[C@@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)ccc6c5=O)c4C)c(O)oc3c2C)OC1(C)C,1
COc1cc([C@H]2c3cc4c(cc3[C@H](OCCN(C)C)[C@@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
N#Cc1c(-c2ccccc2)cc(Nc2cccc(C(F)(F)F)c2)n2c1nc1ccccc12,1
CSc1ccc(NC(=O)CCl)cc1,1
CC(C)C(N)C(=O)O,0
CC(=NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1,0
O=C1CCNC1,0
COc1cc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc(OC)c1OC,1
CC(C)=CC(=O)c1c2cccc(O)c2c(O)c2c(O)cc(C)cc12,1
COc1ccc2nc3cc(Cl)ccc3c(NC(=O)CSc3ccc(Cl)cc3)c2c1,1
CCN(CC)C(=S)NN=Cc1cc([N+](=O)[O-])ccc1O,1
COC(=O)c1cc2oc(C=NNC(=O)c3cc4oc(C)c(C)c4[nH]3)cc2[nH]1,0
CCCCCCCCCCSC[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,1
O=C1c2c(F)c(F)c(F)c(F)c2SC2=Nc3cccc4cccc(c34)N12,1
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,0
Cl.NNc1nc2ccccc2s1,0
Cc1cnnc(N)n1,0
CC1(C)CC(N(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C2CCCCC2)CC(C)(C)N1,1
Nc1[nH]c(=S)ncc1-c1ccc(Cl)c(Cl)c1,0
Cn1c(=O)c2[nH]c(NN=Cc3ccccc3)nc2n(C)c1=O,0
N=C(N)c1ccc(O)cc1,0
CC(=O)C1Cc2ccccc2C1=O,0
CCC(COC(=O)c1ccccc1)NC1CCCC1,0
Cc1cn([C@H]2C=C[C@H](CO[P@@](=O)(OCC3=CC(=O)c4ccccc4C3=O)N(C)CCCCCl)O2)c(=O)[nH]c1=O,1
CCOC(=O)C1OC1c1ccccc1,0
CC(=O)ON=C(C)c1ccccc1,0
CS(=O)(=O)OC1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@@H]1c1ccccc1,1
O=C1Cc2c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc2-c2ccccc2N1,1
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O,0
CCOP(=O)(Nc1ccccc1)OCC,0
O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-],1
CC(=O)OC[C@@H]1O[C@H](n2ccc(=S)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,0
CCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
CC1(C(=O)O)CC2CCC1C2,0
Cc1ccc(N=Nc2c(N)nn(-c3ccccc3)c2N)cc1,1
O=C(NCCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
COc1ccc(C(=O)C=CC(=O)O)cc1,0
COc1cc2c(C=C3C(=O)Nc4ccc(Br)cc43)c(Cl)n(C)c2cc1C,1
CC(C)C(=O)/C=C/c1c(Cl)cccc1Cl,1
CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1,1
CC1=NN(c2nc(N)nc(/C(C#N)=C/c3ccc([N+](=O)[O-])o3)n2)C(C)(C)C1,1
c1ccc([C@H]2OCCN2c2ccccc2)cc1,0
CC(=O)OC(C)CC(OC(C)=O)C(C)C,0
Nc1cc(OCc2ccccc2)ccc1OCc1ccccc1,0
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c(=S)n(N=O)c1=O,0
Nc1nc(N)nc(-c2cccc([N+](=O)[O-])c2)n1,0
COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3C)cc1,0
CCNC1(C#N)CCN(Cc2ccccc2)CC1,0
Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c2ccccc12,1
OCCNc1nc2ccccc2c2[nH]c3ccccc3c12,1
Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3ccc(N)nc3N)cc2)s1,0
O=C(O)COc1ccc(C(=O)/C(SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2\C=C(c3ccc(Cl)cc3)SS2)=C2/C=C(c3ccc(Cl)cc3)SS2)c(Cl)c1Cl,1
C[C@@H]1CNCCN1c1ccc(Cl)cc1,0
COc1cc(-n2c(O)csc2=S)cc(OC)c1OC,0
C/C(=C\c1cc(Cl)ccc1OCC(=O)O)[N+](=O)[O-],0
CCCCC1(CC(=O)OCC)SCCN1C(N)=O,0
Cc1[nH]n(C(=S)Nc2nc3cc(Cl)c(F)cc3s2)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1,0
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCCN(C)C)c3c(NCCCN(C)C)c2c1,1
OC(c1ccccc1)(c1ccccc1)C1CC1,0
BrCCN1CCOC1=Nc1ccccc1,0
O=c1[nH]c(C(F)(F)F)nc2c1nc1n2CCC1,0
Clc1ccccc1/C=N/C1CCCCC1,0
CC(=O)Nc1ccc(CCCCc2ccc(NC(C)=O)cc2)cc1,0
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc2ccccc2c1,1
CCOC(=O)CCN(CCC(=O)OCC)C(C)C,0
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1,0
COc1ccccc1C(O)(c1ccccc1)c1ccccc1OC,0
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,0
O=C(O)c1ccc(Br)cc1,0
O=[N+]([O-])/C=C/c1cn(CCCCCn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c2ccccc12,1
Oc1ccc(CCc2ccccn2)cc1,0
CC(C)(CN1CCCCC1)C(C=Cc1ccc(Cl)cc1)=NNC(=O)NN=C(C=Cc1ccc(Cl)cc1)C(C)(C)CN1CCCCC1.Cl,1
S=C(NCCCN1CCOCC1)NCCCN1CCOCC1,0
O=C1Nc2ccccc2C1=O,0
O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Sc1ccccc1)N1CCOCC1,1
O=[N+]([O-])c1cc(CCl)ccc1CCl,1
CCCC1OCCS1,0
Cc1ccc(C)c(C(=O)CCC(=O)O)c1,0
Cl.O=C1C=CC(=O)c2c1c(O)c1c(NCCNCCO)ccc(NCCNCCO)c1c2O,1
COc1ccc(C(c2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)c2ccc(C(C)C)cc(O)c2=O)cc1,1
CCOc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
CN=C(N)N/N=C(\C)c1ccc2c(c1)Cc1ccccc1-2.Cl,1
Cc1ccccc1Oc1nc2sc3cc(Cl)c(Cl)cc3n2c(=N)c1C#N,0
COc1cc2oc3cc(C)oc(=O)c3c2cc1OC,0
COc1ccc(C=O)cc1O,0
CN(C)c1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-],1
CN(C1=NCCO1)c1cccc2c1CCCC2,1
Nc1nc(/C=C\c2ccc([N+](=O)[O-])s2)nc(N2CCCC2)n1,1
CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC,0
CN(C)c1ccc(-c2cc(-c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc5ccc(Cl)cc5)n4)cc3)nc(N)c2C#N)cc1,1
Cc1cc(S(=O)(=O)NO)c(N)cc1Cl,0
C[C@@H](Cc1ccccc1)NC(N)=O,0
CCOC(=O)C=C(C(=O)OCC)n1cc(C)c(=O)[nH]c1=O,1
CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],1
Cc1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1,0
OCCOCCO[P+]1(OCCOCCO)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1.[Cl-],1
COc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1,1
CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,1
N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3nc3ccccc23)cc1,1
COc1cc(-c2nccn2-c2ccc3ccccc3c2)cc(OC)c1OC,1
Cn1cnc2c1c(=O)[nH]c(=O)n2C,0
COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O,1
O=c1cc(-c2ccc3ccccc3c2)[nH]c2ncc(Cl)cc12,1
CCCCC[C@H](C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1.Cl,0
CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC,1
C=C1C(=O)O[C@@H]2C=C(C)[C@]3(O)O[C@@](C)(C[C@@H]3OC(C)=O)C[C@@H](OC(=O)C(C)C)[C@@H]12,1
C[C@H]1CC(=O)Nc2ccccc2N1C(=S)Nc1ccccc1,0
CC(=O)OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,0
Nc1nc(=O)c2nc(N)n(C3OC(CO)C(O)C3O)c2[nH]1,0
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)[O-])c1ccc(Br)cc1.Cl.[Na+],1
N#CC(C#N)C(C#N)c1ccccc1,0
CC(C)(C)c1cc2nc(c1)C(C(F)(F)F)(C(F)(F)F)OB(Br)OC2(C(F)(F)F)C(F)(F)F,1
COc1cccc(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1,1
N#CCCN1CCN(CCC#N)C1=S,0
CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1,0
Cc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,1
Cc1ccccc1N1CCN(C(=S)c2ccc3c(c2)OCO3)CC1,0
NC(=O)C1(Nc2ccc(-c3ccccc3)cc2)CCCC1,0
CSC(N=CN(C)C)=NN=Cc1c(F)cccc1Cl,0
CCN(CC)CC(C)OC(=O)Nc1ccccc1Cl,0
CC(=O)Nc1c(C)cc(C)c(N(C)C(C)=O)c1C,0
COc1cc(OC)c(NC(=O)Cc2sc(N)nc2O)cc1Cl,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(N(C)C)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
O=C(COc1ccccc1Cl)Nc1nc(-c2cccs2)cs1,0
CC(C)/C(Cl)=N/OC(=O)Nc1ccc(F)cc1F,1
CC(C)=CC=CC(C)c1c(O)c(O)c(C)c2c1Nc1ccccc1S2,1
Cc1noc(N=C2CC(=O)C(=O)c3ccccc32)c1C,1
CC1CCN(C(CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1,0
CC(C)(Cl)[C@@H](Cl)CC/C(CBr)=C(\Cl)CCl,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)C(Br)CC4(C)C3CCC12C,0
CC(O)C(F)(F)C(F)(F)C(F)(F)F,0
Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(C)c3O)c2O)c1O,1
CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCC,0
N#CC(=Cc1ccc[nH]1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1,1
O=c1[nH]cncc1F,0
COc1ccc(OC)c(NC(=O)c2cc3oc4ccccc4c3cc2O)c1,0
COc1cc2c(cc1OC(=O)c1cc3ccccc3[nH]1)N=CC1CCCN1C2=O,1
O=C1CC(C(=O)O)[C@H](c2ccccc2)c2ccccc21,0
COc1nc2c(c(=O)n1C)CN(c1ccccc1)C=N2,0
CC(=O)Nc1ccc2c(c1)C(=O)c1cccc(C(=O)O)c1-2,0
CC(Oc1ccccc1-c1ccccc1)C(=O)N(C)C,0
CC(C)(C)c1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O,1
COc1cc2[nH]c(-c3cccc(N(C)C)c3)cc(=O)c2cc1OC,1
CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.COc1cc(OC)c(C(=O)[O-])cc1OC.COc1cc(OC)c(C(=O)[O-])cc1OC.[O-2],1
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c1.CCS(=O)(=O)O,1
CN1CCN(CCS[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1,1
ClC1=C(Cl)C(Cl)=C(Cl)C1,0
O=C(CI)Nc1ccc(Br)cc1,1
Cc1csc2nc(-c3cccc([N+](=O)[O-])c3)c(/C=N/N=C(N)N)n12.Cl,1
CSc1ccc(Cl)nn1,0
CCCCOC(=O)C1=C(C(=O)OCCCC)CCCC1,0
C=CCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,1
COc1ccc(C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)[nH]c3ccccc23)cc1,1
CCCC[C@H](c1ccccc1)C(C(=O)OCC)C(=O)OCC,0
N=C(N)N=NC(=NNc1ccccc1)c1ccc(Cl)cc1,1
O=C(CCC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1,1
Cc1c2ccccc2c(C)n2c1nc1ccccc12,1
Cc1ccc(/C=C/C(=O)c2c([O-])on[n+]2-c2ccccc2)cc1,1
Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](N(C)O[Si](C)(C)C(C)(C)C)[C@@H]2[Se]c2ccccc2)c(=O)[nH]c1=O,1
O=C1C(=Cc2ccc(O)c(CN3CCCCC3)c2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1,1
O=C(O)Cc1ccccn1,0
CCCC[Sn+2]CCCC.COc1cc(OC)c(C(=O)[O-])cc1OC.COc1cc(OC)c(C(=O)[O-])cc1OC,1
N#C/C(=C\c1cccnc1)c1ccc(Br)cc1,0
O=NNc1nc(-c2ccccn2)nc2ccccc12.[Na+],1
O=C(NC1CCCCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0
CCC1(C)COC(c2ccc3c(c2)OCO3)OC1,0
Cc1ccc2[nH]c(C(C#N)C(CCCO)=NC(Cc3ccccc3)C(=O)OCc3ccccc3)nc(=O)c2c1,0
N#CCCCCOCCCCC#N,0
COC(=O)C(NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)C(C)C,0
CCOc1ccc(-n2c(O)csc2=S)cc1,0
Clc1sc(Cl)c(Cl)c1Cl,0
CC(C)N(C)CCOC(=O)C(c1ccccc1)C1CCCC1,0
OC(c1ccccc1)c1nc2ccccc2[nH]1,0
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1,0
O=C(OCCOc1ccccc1)c1ccccc1Cl,0
Oc1ccc(C=NNc2ccccn2)c(O)c1,1
N#CC(C#N)=Cc1cccc(Br)c1,0
COC(=O)C1CCc2c(ccc3c2CCCC3)C1=O,0
CCN(CC)C(=O)c1cccnc1,0
C=C1C(=O)OC2C=C(C=O)CCC=C(C)C(O)CC12,1
CCOc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OCC,1
Cc1cc(C)[nH]c(=NC(=N)NCCc2ccccc2)n1,1
COc1cc(C2c3cc4c(cc3C(NCc3ccc(C#N)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Cc1cc2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2cc1C,0
O=C(CBr)N1CCC2(CC1)SSC1(CCN(C(=O)CBr)CC1)S2,1
CC(C)CSc1nc(N)nc2[nH]cnc12,0
Cc1c(O)oc(=O)n1-c1ccccc1,0
C=CCOC1COC2C(OCC=C)COC12,0
CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,0
O=C(NN=Cc1ccncc1)c1ccncc1,0
CC(=O)c1c(O)[nH]c2cc(Cl)ccc2c1=O,0
CN(C)CCCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12,1
CC(C)[Si](OC1=CCC[C@H]2NC(=O)C(Cc3ccccc3)[C@@]12C)(C(C)C)C(C)C,1
COc1ccccc1NC(N)=S,0
O=C(CCl)Nc1cc(Cl)c(Cl)cc1Cl,1
O=[N+]([O-])c1ccc(C(Br)c2ccc([N+](=O)[O-])cc2)cc1,1
Oc1c(-c2ccccc2)c2ccccc2n1Cc1ccccc1,0
BrC(Br)(Br)c1cnc2ccccc2n1,1
O=c1[nH]c2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]c1=O,0
Cc1noc(C)c1C(=O)Nc1[nH]nc2ccccc12,0
COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,1
Oc1c(CCl)cc(Cl)cc1CCl,0
Cc1cc(O)c(Br)cc1C,0
Cc1cc(N=NC(=N)N)ccc1NN=C(N)N,0
CCNC(=O)C(=Cc1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
Cc1cc(=O)n(-c2ccc(S(=O)(=O)O)cc2Cl)[nH]1,0
Cc1c(C(=O)OC(=NC2CCCCC2)NC2CCCCC2)sc2c1c(=O)[nH]c1c(C#N)nnn12,0
CC1=CCCC(=O)O1,0
CC(C)=CC=CC(C)c1c(O)c(O)c(C)c(O)c1Nc1ccccc1F,1
COc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC,1
CC(=O)OCC1C(=O)OCC1C(=O)N1Cc2cc3ccccc3nc2C1,1
CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC,1
Cn1c(=O)c2[nH]c(C3CCC3)nc2n(C)c1=O,0
CN(C)CCC(=O)C1CC1,0
CC(=NNC(=S)Nc1ccccc1Cl)c1ccccn1,1
O=C1/C(=C/c2ccc(Cl)cc2)CNC/C1=C\c1ccc(Cl)cc1,1
CC1=NC(C)=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2F)C1C(=O)Nc1cccc(C(F)(F)F)c1,1
O=C(O)CN1CCNCCN(CC(=O)O)CC1,1
CN1CCN(C(=S)[S-])CC1.CN1CCN(C(=S)[S-])CC1.[Cu+2],1
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](c5ccc(=O)oc5)C[C@H]5O[C@]54[C@@H]3CC[C@@]2(O)C1,1
C(=NNc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(-c2ccc(Cc3ccccc3)cc2)[nH]c2ccccc12.Cl,1
COc1ccc2[nH]c3c(C)c4c(c(C)c3c2c1)CN(C)C=C4,1
COc1ccccc1N1CCNCC1.Cl,0
ClC(c1ccccc1)C(Cl)c1ccccc1,0
CN(C)/N=N/c1ccc(C(=O)O)cc1,0
Nc1cccc(S(N)(=O)=O)c1,0
O=C1C(=NCCCN2CCOCC2)C(Cl)C(=O)c2c(O)ccc(O)c21,1
C=CCSc1ncnc2[nH]cnc12,0
CCC(C)N1CCN(c2ccccc2OC)CC1,0
FC1(F)S[C@@H]2[C@H](C1(F)F)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,1
CCOC(=O)C1C(C[C@H](O)c2ccc(OC)cc2OC)=NC(=O)N[C@@H]1c1ccccc1,0
Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,1
NNc1c(C(N)=O)c2c(N)ncnc2n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1
Cc1cc(Cl)ccc1OCCCC(=O)O,0
O=C(CNc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,1
CC(=O)c1cc(Nc2cc(C)[n+](C)c(N)n2)cc(C(C)=O)c1.[Cl-],0
O=C1OCCN1N1CCOC1=O,0
COc1cc(C2c3cc4c(cc3C(Nc3ccc(Oc5ccccc5)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CC(=O)OC[C@H]1O[C@H]([SeH])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.N#CCC[PH-](CCC#N)CCC#N.[Au+2],1
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)cc1,0
COc1cc(C(=O)OC(C(=O)NCCNC(=O)C(OC(=O)c2cc(OC)cc3c(C)cccc23)[C@]2(C)CO2)[C@]2(C)CO2)c2cccc(C)c2c1,1
O=S(=O)(O)SCCNCCCCCC1CCCCC1,1
O=S(=O)(O)NC1CCCCC1,0
ClCC=Cc1ccccc1,0
CC(C)CC(N)C(=O)O,0
CCC(O)C(F)(F)C(F)(F)F,0
N#CSCN1C(=O)C=CC1=O,0
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21,1
CCC(=C(CC)c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1,1
CCOC(=O)NC1CCc2cc(O)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
CCCCn1c(O)c2c(c1O)C1C=CC2C1,0
CCOC(=O)C(Cc1ccc(OC)cc1)C(=O)OCC,1
CCCC/C=C/[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1,1
O=C1Nc2ccccc2C1=O,0
O=[N+]([O-])c1ccc(OCCOc2ccccc2)c(Cl)c1,0
Nc1nc(=O)c(N)c(C(=O)O)[nH]1,0
S=c1[nH]cc(Oc2ccc(Cl)cc2Cl)c(=S)[nH]1,0
COc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC,1
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(Cl)cc1,1
C[C@@H](NC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1,0
Oc1c(C(Nc2ccccn2)c2ccccc2)ccc2cccnc12,1
CCN(CC)CCN1c2nc3ccccc3cc2Sc2cc3ccccc3nc21,1
CN(C)Cc1c[nH]c2nccnc12,0
Cl.O=C(O)Cc1ccccn1,0
CCOCCOC(=O)CCOCCN1CC1,0
C[C@@H]1CC[C@@H]([C@](O)(C(=O)O)C2CCCCC2)C[C@@H]1C,0
O=S(=O)(Nc1ccc2ccccc2c1)N1CCCCC1,1
O=c1[nH]c(O)c(Nc2ccccc2)c(=O)[nH]1,0
O=[As](O)(c1ccccc1Br)c1ccccc1Br,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc3ccccc3c1O)SC(=N)N2,1
Nc1ccc(OCCCc2c(N)nc(N)nc2N)cc1,0
Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1c(Cl)cccc1Cl,0
COc1cc(C(=O)c2cocc2C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,1
COC(=O)c1cc2c(cc1Cl)Sc1nnc(Nc3ccc(C)cc3)n1S2(=O)=O,1
N#Cc1c(-c2ccco2)nc(=S)[nH]c1Cl,0
O=C(C1CCN(CCc2ccccc2)CC1)N1CCOCC1,0
CCCC[C@H]1C=Cn2c(=O)oc3c(OC(C)C)c(C)c(O)c1c32,1
CCOC(OCC)(OCC)OCC,0
Cc1cc(NCCN(C(C)C)C(C)C)[nH]c(=NC(=N)Nc2ccc(Cl)c(C(F)(F)F)c2)n1,1
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC2)cc1,0
O=C(c1ccccc1)C(Cl)C(Cl)c1ccccc1,1
CN(C)C(=O)OC[C@@H]1COc2ccccc2O1,0
O=C1C=CC2(O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)[C@H](Sc2ccccc2O)C1,1
CCN(CC)c1ccc(/C=C/c2cc(C)c3cc(C)ccc3n2)cc1,1
O=[N+]([O-])c1ccc(N/N=C/c2cccc([N+](=O)[O-])c2)cc1,0
CNC(=S)N1c2ccccc2NC(=O)C[C@@H]1C,0
Cc1ccc2[nH]c(CN(CCN(Cc3nc4cc(C)ccc4[nH]3)Cc3nc4cc(C)ccc4[nH]3)Cc3nc4cc(C)ccc4[nH]3)nc2c1,1
CC1=NC(=S)N[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)Nc1ccc(Cl)c(Cl)c1,1
Cl.NC1CCCC(O)C1O,0
Cc1ccc(S(=O)(=O)OCCN2C(=O)c3ccccc3C2=O)cc1,0
CCCCCCCCCN=C(N)c1ccc(N2CCN(c3ccc(C(=N)NCCCCCCCCC)cc3)CC2)cc1.Cl,1
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21,1
O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc(Br)c1,1
Fc1cc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c(Cl)cc1Cl,1
CC(CNC1CCCC1)OC(=O)c1ccccc1,0
CN(C)Cc1c[nH]c2c1C(=O)c1c(c(O)c3ccccc3c1O)C2=O.Cl,1
Cc1cc(O)ccc1C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1,1
OCCNCCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,1
COS(=O)(=O)[O-].COc1ccc2c(ccc[n+]2C)c1,0
COc1ccc([C@H]2CCCC[C@H]2SCC(=O)O)cc1OC,0
CCOC(=O)C1(C(=O)OCC)NC(=O)C[C@@H]1C,0
O=c1cc(-c2ccccc2)[nH]c2ccc(N3CCOCC3)cc12,1
Cc1ncc(CO)n1C,0
CCCCOC(=O)CCCCC(=O)OC(C)C(=O)OCCCC,0
CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1CCO,1
CCOC(=O)Cc1cnn(C)c1NC(=O)c1ccc(Cl)cc1NC(C)=O,0
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,1
O=C1c2ccccc2C(=O)N1/N=C/c1ccc2c(c1)OCO2,0
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCN1CCNCC1,1
COc1cc(C2c3cc4c(cc3C(NC(=O)c3ccccc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CC(C)S(=O)(=O)C(c1ccccc1)c1ccccc1,0
Cc1ccc(CCNC(=S)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1,1
O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4)c1ccccc1,0
COc1ccc2c(NCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1,1
C[N+](C)(C)CC1CCCc2ccccc2C1=O.[I-],1
c1cc(-c2nn[nH]n2)ccc1-c1nn[nH]n1,0
O=C(O)c1c2cc(Br)ccc2nc2[nH]c(=O)[nH]c(=O)c12,0
CCOc1ccc2nc(N)sc2c1,0
COc1ccc(-n2c(CSc3ccc(Cl)cc3)n[nH]c2=S)cc1,0
O=C1NC(=O)C(=CC=Cc2ccccc2)S1,1
COc1ccc(C=C(C)[N+](=O)[O-])cc1,1
Nc1nc(=S)c2ncn(C3CCCC3)c2[nH]1,0
Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1,1
CS(=O)(=O)NN,0
Cc1cc([N+](=O)[O-])ccc1P(=O)(O)c1ccc([N+](=O)[O-])cc1C,0
C[C@@]1(O)C[C@@H]2C[C@H]1C(C(=O)O)C2C(=O)O,0
Nc1ncnc2c1c(C(O)=NO)cn2C1OC(CO)C(O)C1O,1
COc1c(Br)cc2c(c1OC)[C@H](Br)CCC(Br)(Br)C2=O,1
O=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)onc12,1
CC(C)=CC(=O)c1c2cccc(O)c2c(O)c2c(O)cc(C)cc12,1
O=C1OC(=C(c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)C(=O)C1c1ccc(Cl)cc1,1
CC(C)C(NCc1c2ccccc2[n+](C)c2ccccc12)C(=O)O.COS(=O)(=O)[O-],1
CCCC[Ge](CCCC)(CCCC)OC(=O)C(O)c1ccccc1,1
CCC(CO)Nc1nc2ccc(Cl)cc2c2ccccc12,1
O=C1c2cccnc2-c2nc(-c3ccc([N+](=O)[O-])cc3)cc3c2c1nc1ccccc13,1
Cc1c(CCO)c(=O)oc2cc(OCC(O)CNC(C)C)ccc12.Cl,0
CN1[C@H]2CC(c3ccccc3)=NN(C(N)=O)[C@@H]2[C@@H]2CC(c3ccccc3)=NN(C(N)=O)[C@H]21,0
ON(Cc1ccccc1)C(=S)c1ccccc1,1
C=c1[nH]c2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23.Cl,1
COCCCN1CCN(c2ccccc2OC)CC1,0
Oc1ccc(Cl)cc1CNC1CCCCC1,0
Cc1cn2c(/C=N/N=C(N)N)c(-c3ccc([N+](=O)[O-])cc3)nc2s1.Cl,1
O=C(c1ccccc1)C(c1ccccc1)N1CCOCC1,0
O=C(O)COCCOCC(=O)O,0
CC(C)C1(C2CCCC2)NC(=O)NC1=O,0
O=C(O)C[C@H]1OCC=C2CN3CC[C@@]45c6ccccc6N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35,0
CCOC(=O)/C(=C\c1ccnc2ccccc12)P(=O)(OCC)OCC,1
CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccc(-c3ccccc3)nc12.Cl,1
CN(C)CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C.S=c1[nH]cnc2[nH]cnc12,1
Oc1ccc2ccccc2c1C(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12,1
O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21,0
C[C@H]1CCC[C@]2(O1)O[C@@H]1CC(=O)O[C@H]1C1=C2C(=O)c2ccccc2C1=O,1
O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1,0
Nc1cccc2ccc(S(=O)(=O)O)cc12,0
COc1cc(-c2nc3ccccc3s2)ccc1OCc1nc2n(n1)S(=O)(=O)c1ccccc1N2c1ccccc1,0
CCCN1CC(C(=O)OCC)C(=O)C1=O,0
O=S(=O)(O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,0
Nc1nc(=S)c(Oc2ccc(Cl)cc2Cl)c[nH]1,0
Cc1ccc(/C=C2\CCCC(CN(C)C)C2=O)cc1.Cl,1
CN(C)CCCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,1
CN1C(=O)C(=O)N2c3ccc(Cl)cc3[C@]3(c4ccccc4)N=C[C@]12O3,1
Cc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1,0
Clc1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1,1
CN(C)C(=S)/N=c1\ssc(=S)n1Cc1ccccn1,1
OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1,0
O=[N+]([O-])c1ccc([C@@H](Cl)[C@H](Cl)c2ccc([C@H](Cl)[C@@H](Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1,1
O=C(N/N=C/c1ccc2c(c1)OCO2)C1CC1,0
CCCCCCCc1[nH]n(-c2ccc(S(=O)(=O)O)cc2)c(=O)c1N=O,0
Cl.O=c1oc2c3ccc4ccccc4c3n(Cc3nc4ccccc4[nH]3)c2c2ccccc12,1
O=CC(=C(I)I)c1ccccc1,1
NC(Cc1ccc(O)cc1)C(=O)NN=Cc1ccccc1Cl,0
CCCCOCCOC(=O)CCN1CC1,0
CCOP(=O)(Nc1cccc2oc(=O)c3ccccc3c12)OCC,0
CSc1nc(Cl)c(Br)c(Sc2nc(N)nc3[nH]cnc23)n1,1
CC(=O)Nc1ccccc1-c1ccccc1[N+](=O)[O-],0
CC(C)CC(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)C(=O)O,0
C#Cc1cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)nc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c1,1
O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1Cl,0
Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1,0
CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1,1
CC1(C)COC(c2cccc([N+](=O)[O-])c2)OC1,0
O=S(=O)(O)c1cc(Cl)cc(N=Nc2ccc(O)cc2O)c1O,0
CCCNC(=S)Nc1ccccc1,0
Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1,0
N#C[C@H](NNC(=O)c1ccccc1O)c1ccccc1O,1
CCOC(=O)c1nnsc1-c1ccc(-c2snnc2C(=O)OCC)cc1,0
Cc1ccc(C(=NN=C(N)N)c2ccccc2)cc1.Cl,1
CCCCC(CC)CNC(=O)CI,0
O=C(O)CCC(CC(=O)O)C(=O)O,0
O=[N+]([O-])c1ccc(O)c(C=NNc2ccc(S(=O)(=O)O)cc2)c1,0
COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)NN,1
Cc1[nH]c(C(=O)NN)c(C)c1C(=O)NN,0
CCCC(O)c1ccccc1Cl,0
Nc1[nH]cnc(=S)c1N,0
COc1cc([C@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O,1
Nc1nc(Cl)c2ncn(Cc3ccc([C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)c(OCc4cc(F)c(F)cc4F)c3)c2n1,1
CCCC1(c2ccccc2)NC(=O)NC1=O,0
CCOc1ccc2c(S(=O)(=O)O)cccc2c1[N+](=O)[O-],0
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1,0
O=C1N(Cc2ccccc2)C[C@@]2(Br)COCO[C@]12O,0
Cn1c(=O)c2[nH]c(C3CCC3)nc2n(C)c1=O,0
CCC1(Oc2ccccc2)C(=O)NC(=O)NC1=O,0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl,0
CSc1cc(-c2ccccn2)nc(-c2ccccn2)c1,1
S=C=NCCc1ccccc1,1
NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O,0
C=CCC1(CCCCC)C(=O)NC(=S)NC1=O,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(Cl)cc1Cl)CN2,1
Nc1cccc(NC(=O)c2cccc(N)c2)c1,0
COc1ccc(C)cc1NS(=O)(=O)c1ccccc1,0
O=c1[nH]nc(-c2ccc([N+](=O)[O-])o2)c(=O)[nH]1,0
NC(=O)C1C(C(N)=O)[C@H]2CC[C@@H]1C2,0
Nc1nc(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2[nH]1,0
Cn1c(=O)c2c(nc(CCc3ccccc3)n2C)n(C)c1=O,0
CNc1nc(NC)c2c[nH]nc2n1,0
Cc1cc(O)c([N+](=O)[O-])c(C)c1Cl,0
O=c1c2ccccc2c(Br)c(Br)c2ccccc12,1
Cc1cn([C@@H]2CCCCO2)c(=O)[nH]c1=O,0
COc1ccccc1-c1cn2cc(Cl)sc2n1,0
C[C@]1([N+](=O)[O-])CO[P@@](=O)(Nc2ccccc2F)OC1,0
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C=CCC[C@]34C=O)[C@]1(O)C[C@H](O)[C@H]2c1ccc(=O)oc1,1
COc1ccc(Sc2[nH]c(C=O)c3ccccc23)cc1,1
CO[C@H]1[C@@H](O)[C@H](n2cnc3c(=S)[nH]c(N)nc32)O[C@@H]1CO,0
CCOC(=O)N1CN(C(=O)OCC)CN(C(=O)OCC)C1,0
Cl.N=C(N)N/N=C/c1cccnc1,0
O=CC1(c2ccccc2)CCN(Cc2ccccc2)CC1,0
CCOC(=O)c1ccc(O)c(O)c1,0
CCCCCCCCCCCCSC1=C(Cl)C(=O)C(OC)=C(OC)C1=O,1
COc1cc2c3c(n(CCCNCCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
CCC(C)C(CC)C(N)=O,0
O=c1[nH]c(=O)c2[nH]c(=O)n(-c3ccccc3)c2[nH]1,0
NS(=O)(=O)c1cc(Cl)cc(Cl)c1O,0
CCC(C)(CC)c1ccc(O)c(C)c1,0
CC1=NC(C)=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)C1C(=O)Nc1ccccc1,1
CC(=NNC(=S)Nc1ccccc1)c1nc2cccnc2[nH]1,1
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(F)cc2)cn1,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3c4ccccc4nc4ccccc34)c2cc1-c1cc2c(C=Nc3c4ccccc4nc4ccccc34)c(O)c(O)c(C(C)C)c2cc1C,1
CC(=O)Nc1ccccc1N,0
Cc1ccc(OC(=O)c2ccccc2)cc1C,0
Nc1ccc(P(=O)(O)O)cc1,0
CCCCCC1c2cc(O)ccc2O[C@@H]1N1CCOCC1,0
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1,1
C[C@H]1[C@H](O)C[C@@H]2C[C@@H]3O[C@@]3(C)CC[C@H]3O[C@@]3(C)CC[C@H]1C2(C)C,0
O=C(Nc1cccc(Cl)c1)c1cc(N=Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O,1
COC1=C(Cl)C(=O)c2ncccc2C1=O,1
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,0
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)C(C)(C)C)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
Cc1cc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)cc(C(=O)O)c1O,0
Nc1nc(N)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2n1,1
O=[N+]([O-])C[C@H](O)c1ccccc1Cl,0
O=C(Oc1ccccc1Cl)c1ccccc1,0
CC(C)N(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O,1
COc1cccc([C@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@@H]2C)OCO4)c1OC,1
N#CC(C(CCCO)=NC(CCC(=O)O)C(=O)O)c1nc(=O)c2cc(Br)ccc2[nH]1,0
COc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,1
CCCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O,1
CCNC(=O)OCCOC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,0
CC1(C)C[C@@H](O)C2=C(O1)C(=O)c1ncccc1C2=O,1
CCCCCCCSCCO,0
Br.O=C1c2cccc3cccc(c23)C(=O)N1CCCNCCCCNCCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O,1
CC[C@@H](CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,0
CCOC(=O)CCC(=O)OCC,0
O=c1cc(-c2cccc(Cl)c2)[nH]c2ncccc12,1
COC(=O)C[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2OC,1
CCN(CC)C1Oc2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3,1
Cc1[nH]c(N=C(N)N(C)C)nc(=O)c1C,0
Br.CC(C)(CN1CCCCC1)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)CN2CCCCC2)cc1,1
O=C(O)O,0
CCCCCCCCCCCCO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1CNC(=O)C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1,1
COCCN(CCOC)N=Nc1[nH]cnc1C(N)=O,0
Brc1ccccn1,0
O=C(NN=Cc1ccccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
Cc1ccc(C(=O)c2[nH]c(NCc3ccccc3)c(C(=S)Nc3ccccc3)c2N)cc1,1
Nc1nc(SCc2ccc(Cl)cc2Cl)cc(SCc2ccc(Cl)cc2Cl)n1,0
CCCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1,0
CS(=O)(=O)O.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCOCC3)c12,1
CCC1(OC(=O)C(N)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
CCOC(=O)C(NC(C)=O)C(=O)OCC,0
CO[C@@H]1CC[C@@H](O[C@H]2C[C@@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@H](C(C)=CC(C)C(=O)C(C)CC(C)C(=O)O)O4)O3)O[C@@]3(O[C@H]([C@H]4O[C@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C,1
C[S+](C)CC(=O)c1ccc2c(c1)Sc1ccccc1O2.[Cl-],1
OC[P+](CO)(CO)CO.[Cl-],0
c1ccc(SCCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1,1
CN(C)C(=S)NN=C(c1ccccn1)c1ccccn1,1
COc1ccc([N+](=O)[O-])c(O)c1C(C)=O,0
CCOC(=O)C12CCC(c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC,1
Cc1cccc[n+]1C.[I-],0
O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.c1ccc([Sn+2]c2ccccc2)cc1,1
Cc1cccc2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc12,0
C[C@@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1NNc1ccccc1)OCO3,1
CC(=O)Nc1nc(=O)c(CCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH]1,0
Cc1c2c(cc3c1[nH]c1ccccc13)C=NCC2,1
O=[As](O)(O)c1ccccc1-c1ccccc1,0
Clc1ccc2c(NCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1,1
CCCCCC=CC1CCC(CN(C)C)C1=O.Cl,1
CN(C)CCNC(=O)c1cccc2c1nc(-c1ccncc1)c1ccccc12.Cl,1
CCCCCCCCCCCC[S+](C)C.[I-],1
COC(=O)Nc1ccc2ccc3c(NC(=O)OC)ccc4ccc1c2c43.COC(=O)Nc1ccc2ccc3ccc(NC(=O)OC)c4ccc1c2c34,1
O=C(O)C(F)(F)F.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
NC(=O)N(N)CCO,0
COc1ccc([C@@H]2SCC(=O)N2c2nnc(Cn3cnnc3)o2)cc1,0
Cc1cnc(C2OCCO2)c2cccc(N)c12,0
CN(C)CCCn1c2c(c3cc4c(cc3c1=O)OCO4)C(=O)c1ccccc1-2,1
COc1ccc(N=Nc2ccc(N)nc2N)cc1,0
Cc1c(C(N)=O)sc2ncn(Cc3ccccc3)c(=O)c12,0
O=C(OCCO)c1ccccc1O,0
N#CCC(=O)c1ccccc1C(=O)O,0
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl,0
CC1(C)CC(=O)C(c2ccccc2)(c2ccccc2)C(=O)C1,0
COc1ccc(-c2cnoc2-c2ccc(OC)c(OC)c2)cc1OC,1
COc1cc2c(cc1OC)[C@@H](O)[C@](O)(CO)C(C(=O)O)[C@@H]2c1cc(OC)c(OC)c(OC)c1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C(N)CO.Cl,1
S=C(NN=C(c1ccccc1)c1ccccn1)N1CCCCCC1,1
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)C(C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(O)c4c(c(O)c3c2O)C(=O)C=CC4=O)C1C(=O)OC.Cl,1
CC(C)COC(=O)C=C(CC(=O)OCC(C)C)C(=O)OCC(C)C,0
CC(C)(C)N1C(=O)c2ccccc2C1=O,0
Cc1cc(C)c(-c2c(N)cc(Br)cc2Br)c(N)c1,1
CCOP(=O)(NCCc1ccccc1)OCC,0
COc1ccc(OC)c(NCCN2C(=O)c3ccccc3C2=O)c1,0
CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)ccc1O.Cl,1
Cc1cc(C)c2c(=O)cc(-c3cccc(F)c3)[nH]c2n1,1
O=P(N1CCCCCC1)(N1CCCCCC1)N1CC1,0
CCn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc2c1=O,1
O=c1[nH]c(=O)c2cc3ccccc3nc2[nH]1,0
Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1,0
Cc1cc2c(cc1C)[n+]([O-])c(C(F)(F)F)c(C(=O)c1ccccc1)[n+]2[O-],1
Cn1c(=O)c2nc3c(=O)n(C)c(=O)n(C)c3nc2n(C)c1=O,0
CCOC(=O)Nc1ccccc1C,0
COc1nc(=O)n(C2CCCO2)cc1C,0
COc1ccc(-c2c3c(cc4c2ncn4C)COC3=O)cc1,0
c1ccc2c(CCc3ccncc3)cccc2c1,0
CCn1nccc1N,0
O=S(=O)(SC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1,0
CC1(C)NC(=S)C(C)(C)N1N=O,0
COc1ccc(CSc2n[nH]c(=O)[nH]c2=O)cc1,0
CCOC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,1
FC(F)(F)c1cc(C2SCc3nc4ccccc4n32)cc(C(F)(F)F)c1,1
Cc1csc2nc(-c3ccc([N+](=O)[O-])cc3)c(/C=N/N=C(N)N)n12.Cl,1
Nc1c(Br)cc(Br)c2c1-c1ccc([N+](=O)[O-])cc1C2,0
O=C(NN=Cc1ccc(O)cc1O)c1cccnc1,1
CCN(CC)CC(O)c1ccc2ccccc2c1,0
Clc1ccccc1/N=N/c1ccccn1,0
COC(=O)c1cc([N+](=O)[O-])ccc1NC(C)=O,0
CC(=NNC(=S)Nc1ccc(Cl)cc1)c1cccc(C(C)=NNC(=S)Nc2ccc(Cl)cc2)n1,1
O=C(O)CCCCCNCc1cc2cc3c(cc2c2cc(OCc4ccccc4)ccc12)OCO3,1
O=C1NC(=O)C2(CCCC2)C(=O)N1,0
Nn1c(Cc2ccccc2)nnc1Cc1ccccc1,0
COc1cc2c[n+](C)c3c4ccccc4ccc3c2cc1OC.[Cl-],1
CCN(CC)CCOCCn1c(C)ccc1C,0
O=[N+]([O-])C(CO)(CO)c1ccccc1,0
Cc1cc(CCc2cc(C)[nH]c2C)c(C)[nH]1,0
C/C=C/C(=O)OC/C=C(\C)CCC=C(C)C,0
CCOC(=O)c1[nH]c(C(=O)O)c(OC(=O)CC)c1C,0
Cc1ccc2c(=O)cc(-c3cccc4ccccc34)[nH]c2n1,1
CCCCCCCCCCCCCCCC[C@H]1C[N+](C)(C)CCO[P@](C)(=O)O1.[Br-],1
O=c1[nH]ncc(Cl)c1Cl,0
CC(=Nc1ccccc1)c1c(O)[nH]c(CC(C)C)c1O,0
NC(=O)c1ccccc1,0
Cc1c2cc[nH]c(C(N)=O)c2c(C)c2c1nc1ccccc12,1
O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-],1
CCCCN(CCCC)CCCN=c1nc2c(c(N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
Cc1c2ccncc2cc2c1sc1ccncc12,1
c1ccc2[nH]c(-c3cscn3)nc2c1,0
O=C(O)CCCCC(=O)c1ccccc1,0
BrCc1ccc(-c2ccccc2)cc1,0
COc1cc(C)cc2c1C(=O)C(Br)=CC2=O,1
C=C1CC2(OC1=O)c1ccccc1C=Cc1ccccc12,1
CN1CC(=O)N(O)C1(C)c1cccnc1,0
Oc1ccc(N=Nc2ccc(Br)cc2)c(O)c1,1
O=C(NN=Cc1cc(Cl)ccc1O)NN=Cc1cc(Cl)ccc1O,1
O=C(Nc1nc2ccc(F)cc2s1)c1cccnc1Nc1ccc(Cl)cc1,1
COC(=O)c1c(O)ccc2c1c1c(n2Cc2cccc(C)c2)C(=O)c2ccccc2C1,1
O=C1Nc2ccc(Cl)cc2C1=O,0
Cc1c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)[n+]([O-])c2ccccc2[n+]1[O-],0
O=C(O)CSc1ccccc1,0
O=[N+]([O-])c1ccc(/C(=N\c2ccccc2)SS/C(=N/c2ccccc2)c2ccc([N+](=O)[O-])o2)o1,1
CN(C)Cc1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(CN(C)C)c1O.Cl,0
COC(=O)CN,0
CC(C)(C)c1nc2ccccc2[nH]1,0
COc1cc2c(C=C3C(=O)N(c4ccccc4)c4ccccc43)c(Cl)[nH]c2cc1C,1
CC(=O)Nc1ccccc1O,0
CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,0
C=C1CC(Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(Br)cc2)OC1=O,1
COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(Cc3ccccc3)c2cc1C,1
CNc1cc2nc3cc(NC)c(C)cc3cc2cc1C.Cl,1
O=[N+]([O-])C(=C(Cl)SCc1ccccc1)C(Cl)=C(Cl)Cl,1
C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1CO)C2,1
C1=C(N2CCOCC2)CCCC1,0
CC(C)c1ccc(CN(C)C)c(O)c1C(C)(C)C,0
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1ccc(OC)cc1,1
c1cc(OCCN2CC2)ccn1,0
O=C(OCC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1,1
COC(=O)c1cc(O)c2cc3c(cc2c1-c1cc(OC)c(OC)c(OC)c1)OCO3,1
Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1C,0
CC(=O)c1cc(C)c(OC(=O)c2ccccc2)c(C)c1,0
O=C(NN=Cc1ccncc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1,1
c1ccc2c(c1)C1=NCCN1c1ccccc1-2,1
COc1ccc(C(=O)CCC(=O)O)c2c(OC)cccc12,0
CCN(CC)CCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(NCCN(CC)CC)c12,1
Cc1ccc2c(CC(=O)Nc3nc4ccccc4[nH]3)coc2c1,0
COc1cc(/C=C/c2ccnc3ccccc23)cc(OC)c1OC,1
COC(=O)/C=C1\Sc2cc(F)ccc2NC1=O,0
S=C(NN=Cc1ccccn1)N1CC2CCC(CC2)C1,1
OCCN1CCC(CCCC2CCNCC2)CC1,0
Cn1c(=S)sc2ccc3ccccc3c21,0
COc1ccc2c(c1)nnn1c3ncccc3c(N=O)c21,1
CCCCn1c(N)c(N(CC)C(=O)COc2ccc(C)c(C)c2)c(=O)[nH]c1=O,0
COc1c(C)cc2c(c1O)C1C3C4SCC5(NCCC6=C5NC5C=CC=CC65)C(=O)OCC(c5c6c(c(C)c(OC(C)=O)c54)OCO6)N3C(O)C(C2)N1C,1
Cc1ccc(S(=O)(=O)NCN2C(=O)c3ccccc3C2=O)cc1,0
O=c1[nH][nH]c(=O)c2ncccc12,0
C=C(CC(=O)OC)C(C)=O,0
CC1(C)C(C(N)=O)C(=O)NC(=O)C1C(N)=O,0
O=[N+]([O-])C(=C/c1cccs1)/C(=C\c1cccs1)[N+](=O)[O-],1
COc1ccc(Nc2nnc(SCc3ccccc3F)s2)cc1,0
O=c1cc(-c2cccc(OC(F)(F)F)c2)[nH]c2cc3c(cc12)OCO3,1
CC(=NNC(=O)c1ccncc1)c1ccc(F)cc1,0
CS(=O)(=O)N1C[C@@H](CI)c2ccc(O)cc21,1
CN(C)/N=N/c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1,0
CC(C)(C)NC[C@@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2.Cl,1
CC(C)(C)c1ccc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1,1
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN=c4scc(O)n4C)ncnc32)cc1,1
O[C@]1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=N[C@H]3CCCC[C@@H]3N21,1
C1CNCCN1.O=C(O)c1cccc(C(=O)O)c1,0
Nc1nc(Cl)nc2c1ncn2C1CCC(CO)O1,0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(=O)Nc1ccn([C@H]2O[C@H](CO)[C@H](O)C2(F)F)c(=O)n1,1
CCOC(=O)C1CC1C#N,0
CCN(CC)CCS(=O)(=O)CCNc1ccnc2cc(Cl)ccc12.O=P(O)(O)O,1
Oc1ccc(Br)cc1C=NNC(=S)NC12CC3CC(CC(C3)C1)C2,1
CC(C)N=C(NC(C)C)N1CC1,0
COc1cc(Cl)c(C)cc1NC(=O)c1cc2ccccc2cc1O,1
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)c3c(cc(C#N)c4c3sc3ccccc34)C[C@@H]12,0
COc1nc2c(c(=O)n1C)CN(Cc1ccccc1)C(C)=N2,0
Cc1ccc(Nc2ncnc(Cl)c2N)cc1,0
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3C)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
CCC(O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[Na+],1
Oc1c2c(c(O)n1C(O)C(Cl)(Cl)Cl)CC=CC2,0
O[C@@H]1Cc2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1,0
CC1=CC(=O)Nc2ccccc2S1,0
CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cccs1,0
O=c1oc(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)nc3ccccc3c12,0
O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCCCCCCCCCCCO)cc2)c([N+](=O)[O-])c1,1
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O,1
Cl.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(Br)ccc1-2,1
CC(C)C1=C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@H]1c1c3c(O)n(-c2ccccc2-n2c(O)c3c(c2O)[C@]24C=C(C(C)C)[C@H]3C[C@H]2[C@]2(C)CCC[C@@](C)(C(=O)O)[C@H]2CC4)c1O.[Na+],1
O=C(N=Nc1c(O)[nH]c2ccccc12)Nc1ccccc1,0
Nc1ncnc2c1nc(Cl)n2C1OC2COP(=O)(O)OC2C1[O-].[Na+],1
O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,0
COc1ccc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OCCCN1C(=O)c2cccc3cccc(c23)C1=O,0
COc1cc2ccnc(-c3c4ccccc4c(N)c4c(OC)c(OC)ccc34)c2cc1OC,1
C1CCC(N=C2NCCO2)CC1,0
CC(=NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1nc2cccnc2[nH]1,1
COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccc(F)cc1C3=O.Cl,1
N#CC(C#N)=c1c2nsnc2c(=C(C#N)C#N)c2nsnc12,1
Cc1ccccc1Nc1ncnc2[nH]cnc12,0
O=C(O)c1cccc2c1C(=O)c1cccc3snc-2c13,0
O=C1/C(=C\c2ccc(Cl)cc2)CCC1CNc1ccc(Cl)cc1,1
CC1CC(C)C2=NOS3=C2C1=NO3,0
Cc1ccccc1O,0
Cc1nc2cc(C)c(C)cc2o1,0
Oc1ccc(O)c2c1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,1
c1ccc(CCc2ccccc2)cc1,0
O=c1cc(O)[nH]c(=O)n1Cc1ccccc1,0
O=C(c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)C(=O)NC2=O,0
N#CC(c1ccccc1)C1CCN(Cc2ccccc2)CC1,0
N=C(N)NN=C(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1,1
O=C(Cc1ccc(F)cc1)N=C1C(=O)c2ccccc2C(=O)C1Cl,1
Cc1ccc(I)c(C)c1,0
N=C1c2ccccc2[C@H](c2ccccc2)C1C(N)=O,0
CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23.Cl,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccoc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\C(=O)O,0
C1CCC(OC2CSC2)OC1,0
O=c1ccnc2n1CCN2,0
O=C(COc1ccc(Cl)cc1Cl)NN=CC=Cc1ccc([N+](=O)[O-])o1,1
C(=C/c1ccccn1)\c1ccncc1,0
COc1cc(C2c3cc4c(cc3OC(NNC(N)=S)C2C)OCO4)cc(OC)c1OC,1
Cc1nc2ccccc2c(C(=O)O)c1-c1ccccn1,0
C(=NNc1nnn(Cc2ccccc2)n1)c1ccccc1,1
CC(C)[C@]1(c2ccccc2)NC(=O)NC1=O,0
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F,1
COC(=O)Oc1nn(C(=O)OC)c(=O)c2ccccc12,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(Cl)cc2Cl)cc1,1
O=S(=O)(O)C1=C/C(=N/Cl)C=C/C1=N\Cl.[Na+],0
CCOC(=O)c1sc(NC(=O)COc2ccc(/C=C3\Cc4ccc(Cl)cc4C3=O)cc2)nc1C,0
Cc1n(CC(C)C)c2c([n+]1C)C(=O)c1ccccc1C2=O.[I-],1
CCOC(=O)c1[nH]c(Br)c(-c2ccc(Br)cc2)c1Br,1
COc1ccc(Cc2ccccc2C(=O)O)cc1,0
NS(=O)(=O)c1ccc(N=Nc2ccc(=O)[nH]c2O)cc1,0
Nc1cccc2c(O)cc(S(=O)(=O)O)cc12,0
CCC(C=NN=C(N)N)OC,0
CC(=NNc1cc(C)c2ccccc2n1)c1ccccn1,1
CN(C)P1(=O)N(C)CCN1C,0
NS(=O)(=O)c1ccc(NC(=O)CC(=O)c2ccccc2)cc1,0
O=C1CCCCN1CCCCC#Cc1cccc(C#Cc2cnccn2)c1,0
Cc1ccsc1C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F,0
Nc1[nH]c(=S)ncc1Oc1ccc(Cl)cc1Cl,0
Cc1nnc(N)nc1C=CC[C@@H](Sc1ccc(Cl)cc1)c1ccccc1,1
CCCCCCCCCCCCCCCCCCO,0
Cc1ccc2c(=O)cc(-c3ccsc3)[nH]c2n1,1
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC,1
O=C(O)c1ccccc1,0
c1ccc(NCc2ccc3c(c2)OCO3)cc1,0
CCCC[Sn+2]CCCC.COc1cc(OC)c(C(=O)[O-])cc1OC.COc1cc(OC)c(C(=O)[O-])cc1OC,1
O=c1c2c3c(sc2n2c(CCl)nnc2n1Cc1ccccc1)CCCC3,1
O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl,1
Oc1cccc2cc(Cl)cnc12,1
Cc1cc[n+](-c2c3c(nc4ccccc24)-c2ccccc2C(C)(C)C3)cc1.[Br-],0
COc1ccc2c(CN3CCC(CO)CC3)cc3cc4c(cc3c2c1)OCO4,1
[Cl-].c1ccc(COc2cccc3ccc[n+](Cc4ccccc4)c23)cc1,1
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccco1,0
O=c1cc(O)cc2n1CCC2,0
COC(=O)c1cc(C(=O)C(=O)O)ccc1O,0
Cc1ccc(=O)n(-c2ccccc2)c1,0
CCN(CC)c1ccc(/C=C2/C[N+](C)(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1.[I-],1
CCc1cc(CC)c(C(=O)O)c(CC)c1,0
CSc1nc2nc(-c3cc4ccccc4oc3=O)ccc2c(=O)n1C,0
CNC(=O)OCc1c2cc[nH]cc2c(C)c2c1nc1ccccc12,1
CC(COC(=O)c1ccccc1)N1CC2CCC(C1)O2,0
C/C(=C\C(C)(C)C)C(=O)C(C)(C)C,0
CC(=O)Nc1c(C)[nH]cnc1=O,0
O=C(CC(=O)Nc1ccccc1)NN=Cc1cc(N=Nc2ccc(Br)cc2)ccc1O,1
C[C@]12CC[C@@H]3c4cc(OCC(F)(F)F)c(O)cc4C(=NO)C[C@H]3[C@@H]1CC[C@@H]2O,1
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,0
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21,1
O=C(O)c1ccccc1[As](=O)(O)O,0
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21,1
COC(=O)c1c(O)ccc2c1c1cc3ccccc3cc1n2Cc1cc(OC)cc(OC)c1,1
O=C(CC(=O)N1CCOCC1)N1CCOCC1,0
COc1cccc(-c2cc(=O)c3cc(N(C)C)ccc3[nH]2)c1,1
COC(=O)/C=C1\Sc2ccc(C(F)(F)F)cc2NC1=O,0
OCC1OC(c2scc3c(=S)[nH]cnc23)C(O)C1O,1
CCC[C@H]1OCC(Cl)(Cl)[C@H](c2ccccc2)O1,0
CC(C)[C@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(CN)CCC[C@]23C)C1,1
Cc1ccc(S(=O)(=O)O)cc1.NC(=NO)NN=Cc1cc(Cl)cc(Cl)c1O,1
Cc1ccc(CNc2ccccc2)cc1,0
C1CN2CN3CCN(CN1C3)C2,0
O=c1cc(-c2ccccc2)[nH]c2cc(Cl)ccc12,1
ClC1=C(Cl)C(Cl)=C(Cl)C1=C/C=C/c1ccccc1,1
O=C(NCCN1CCCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,1
C[C@@H]1c2ccccc2-c2ccccc2N1C,0
CCCCC(CC)CCC(C)OC(=O)CCC1CCCCC1,0
Fc1cc(C2=Nn3c(COc4ccccc4Cl)nnc3S/C2=C\c2ccc(Cl)cc2)c(Cl)cc1Cl,1
C[C@]1([N+](=O)[O-])CO[P@@](=O)(NC2CCCC2)OC1,0
CC(=O)O.CC12CCC3(C1)C(CC2=O)CC(OC(=O)c1ccccc1)C1C(C)(CO)CCCC13C,1
Nc1nc(N)c2c(Cl)c(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)ccc2n1,1
COC(=O)[C@]1(C)CO[P@@](=O)(Nc2ccccc2)OC1,0
O[C@H]([C@H]1O[C@H](c2ccccc2)OC[C@@H]1O)[C@@H]1O[C@@H](c2ccccc2)OC[C@H]1O,0
CSc1nc2c(c(C)c(C)n2CCCC(=O)NCCc2c[nH]cn2)c2nc(O)cn12,0
O=C(Nc1ccccc1Cl)Oc1ccc(Cl)cc1Cl,0
Oc1ccc(Sc2ccc(O)cc2O)c(O)c1,0
Cc1cc2c3ccccc3ccc2[n+]2ccccc12.[Cl-],1
CN(CCCN)CCCNc1nc2ccccc2c2[nH]c3ccccc3c12,1
CCN1C(=O)C(=Cc2c(Cl)[nH]c3cc(C)c(OC)cc23)c2ccccc21,1
C=C1C(=O)OCC1C(=O)O,0
C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)C(=CC(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)[C@@]1(C)OC(=O)/C(C)=C\C,1
CC1(C)CCC(=O)c2ccccc21,0
CC1=CC(C)(C)NC(=S)N1c1ccc(N(C)C)cc1,0
O=C(Nc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl,1
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F,0
NCCNCC(O)c1ccccc1,0
CCCC(C)c1cc(Cc2cc(Cl)cc(Cl)c2O)c(O)c(Cc2cc(Cl)cc(Cl)c2O)c1,1
O=S1(=O)NCCCN1O,0
Cc1cccc(N2CCN(C(=S)c3ccc4c(c3)OCO4)CC2)c1,1
Cc1cc2nccnc2cc1C,0
O=C1NC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)N1,0
CSc1nc(C)c(CCOC(C)=O)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1,1
O=Nc1c(-c2c(O)[nH]c3ncccc23)[nH]c2ccccc12,1
NNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-],0
CC(=O)Nc1nc(C)c(C(=O)N/N=C/N2CCOCC2)s1,0
O=C(N/N=C/c1ccc(F)cc1)C1CC1,0
C=C[C@@H](CO)OCC(CC)CC,0
COc1cc2c(C=C3C(=O)N(C)c4ccccc43)c(Cl)[nH]c2cc1C,1
Cl.NCCOCC(N)C(=O)O,0
COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC,1
Cc1cc(C)n(CC(Cn2nc(C)cc2C)=C(C(Cl)C(Cl)=Nc2ccc([N+](=O)[O-])cc2)[N+](=O)[O-])n1,1
Oc1[nH]c2ccccc2c1N=NC(=S)N1CCCCC1,1
COc1cc(C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC,1
O=C(O)C#CCC(O)CCc1ccccc1,0
O=c1[nH]c(Cn2nnc(-c3ccccc3)n2)nc2sc3c(c12)CCCC3,0
c1ccc(C(Nc2cccnc2)c2ccccc2)cc1,0
Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(Cl)ccc3nc-2c1=O,1
COc1ccccc1[C@H]1OC[C@](C)([N+](=O)[O-])CO1,0
COC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@]2(C[C@H]1C[C@H]3OC(C)=O)OO[C@@]1(CC[C@@]3(C)[C@H](C[C@@H](OC(C)=O)[C@H]4[C@H]3C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCC(=O)OC)CC[C@@H]43)C1)OO2,1
O=Nc1ccc2ccccc2c1O,1
Nc1ccc(N)c([N+](=O)[O-])c1,0
Nc1ccc([N+](=O)[O-])cc1Cl,0
C=C1C[C@](C)(COc2ccc3c(C)c(C)c(=O)oc3c2C)OC1=O,1
CC1=C([Se]CC(OC(=O)C(CSSC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C)C(=O)c2ccccc2C1=O,1
NC(=O)NN=C1CCn2cccc21,0
CC(=O)Nc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1,0
O=[N+]([O-])c1c(O)cccc1O,0
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(CCO)CCO,0
Cc1cc(=O)c2c(C)ccc(C)c2[nH]1,0
CN(C)CCN=C1CC(=O)c2nc3ccccc3c3ccnc1c23,1
Nc1nc(N)c2cc(S(=O)(=O)c3ccccc3)ccc2n1,1
O=C(O)c1ccc(S)cc1,0
CC(=Nc1ccccc1)c1c(O)[nH]c(Cc2ccccc2)c1O,1
CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccccc1)c(C)[n+]2[O-],0
CCCCCN(CCCC)Cc1ccccc1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1ccc([N+](=O)[O-])cc1)CC2,1
N#CC(=Cc1cc2ccccc2c2ccccc12)c1ccccc1,1
Cc1cccc(N(CCO)CCC#N)c1,0
O=C(C(=O)c1cccnc1)c1cccnc1,0
C[N-]c1nnnn1C.[Au+2].c1ccc([PH-](c2ccccc2)c2ccccc2)cc1,1
CCN(CC)CCNc1ccc2nnn3c4ccc(OC)cc4c(=O)c1c23,1
COc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)nc3Nc3cc(Cl)ccc3C)CC2)cc1,1
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(OC6OCC(O)C(O)C6O)C5O)CCC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O,1
CC1(C)C2CC[C@@]1(C)C(=O)C2=Nc1ccc(N=C2C(=O)[C@]3(C)CCC2C3(C)C)cc1,0
COc1ccc2c(c1)/C(=C\c1c(-c3ccccc3)nc3n1CCS3)C(=O)N2,1
CSc1nc(C)c(CCOC(C)=O)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1,1
Nc1nc(N)c2cc(S(=O)(=O)c3ccc4ccccc4c3)ccc2n1,1
CCCCc1c(O)[nH]c(=S)n(C)c1=O,0
COCCOCO[C@H](CCCCO)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1,1
Clc1nc(Cl)c2ncn(CC#CCn3cnc4c(Cl)nc(Cl)nc43)c2n1,1
N#Cc1c2ccccc2c(Cc2ccc3c(c2)OCCOCCOCCOCCOCCO3)c2ccccc12,1
CCCCCCCCCCCCO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1CNC(=O)C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1NC(=O)CN1CCCCCC1,1
CC[C@@H](C)NC(=O)c1cccc(C)c1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(F)cc3)[C@H]3CO[C@@H](O)[C@H]23)OCO4)cc(OC)c1O,1
C=C1C(=O)N(C)CCC1C(CC)C(=O)OC,0
N=C(NOC(=O)c1ccccc1)C(C(=O)NOC(=O)c1ccccc1)C1CCCCC1,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=NNC(=O)c2ccc(Cl)c(Cl)c2)CC1OC1CC(N)C(O)C(C)O1)C3=O,1
Cc1cc(C(O)CN(C)C)cc2c1ccc1cc(C(C)C)ccc12,1
O=C(Nc1ccc(Br)cc1)c1cc(Br)cc([N+](=O)[O-])c1O,1
O=C(O)Cc1ccc([N+](=O)[O-])cc1,0
CCCCCNCCO,0
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1,0
CCCCCOS(=O)(=O)O,0
CCCc1ccc(C)c(Br)c1,0
O=C(c1ccccc1)C1CCCC1,0
CN1CCN=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)c(N)c2)cc1,0
CC(C)CCC1Cc2c(c(O)n(-c3ccccc3)c2O)-c2[nH]c3ccccc3c21,1
C=C1C(=O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4(OC5=O)[C@]2(C)CC[C@]1(OC)C3,1
CCOC(=O)/C=C/C(=O)Nc1ccc(C(=O)O)c(O)c1,0
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1,0
CCC1(N)COC(c2ccccc2)OC1,0
COC(=O)CCC(=O)c1ccc2cc(OC)ccc2c1,0
O=C1OCCCC1O,0
COc1ccc(C=C2CCC(CN3CCOCC3)C2=O)cc1.Cl,1
Br.O=C(/C(=C\c1ccccc1)CN1CCOCC1)c1ccc(Br)cc1,1
COc1ccc(S(=O)(=O)Cl)cc1,0
CC1(C)CC(C)(C#N)CC2(C1)OCCO2,0
CCC[C@@]1(C2CCCC2)NC(=O)NC1=O,0
COc1cc(C2c3cc4c(cc3C(Nc3ccc(N5CCOCC5)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
COc1ccc2nc3c(C)c4cc[nH]c(NCCCN(C)CCCNc5ccc6ncn7c8ccccc8c(=O)c5c67)c4c(C)c3c2c1.CS(=O)(=O)O,1
O=[N+]([O-])/C=C/c1ccco1,0
COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1,1
CCC(C#N)C(N)=O,0
CC(=O)Nc1ccc(C=NNC(N)=O)cc1,0
O=C(OC[C@@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,1
Nc1cccc2c1CCC2,0
COc1ccc2c(c1)[n+]([O-])c(C#N)c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[n+]2[O-],1
CC(=O)OC1c2ccccc2C2c3ccccc3C1C2Cl,0
CC[C@H](C)[C@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)=O)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)OC(=O)C[C@@H]1O,1
O=C(O)C=CC(=O)NCc1ccccc1,0
Cc1ccc(S(=O)(=O)OCC[C@H]2CN(C(=O)OCc3ccccc3)C(C)(C)O2)cc1,1
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,0
O=[N+]([O-])c1ccccc1N=Nc1ccc(O)cc1O,0
COC(=O)C(O)c1c2c(cc3c1CCC3)CCCC2,1
Cc1ccc(Cc2c(C=O)[nH]c(N)nc2=O)c2ccccc12.Cl,0
Nc1ccc(C(=O)NCC(=O)O)cc1,0
Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)c2c[nH]c(=O)[nH]c2=O)cc1,0
CCCCCOC(=O)c1ccc(C)cc1,0
CC(=O)Oc1[nH]c(=O)c2cccc3c2c1CCC3,0
COC(OC)c1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,0
COC(=O)C1=C(C(=O)OC)C2(c3ccccc3)OC1(c1ccccc1)c1cc3ccccc3cc12,1
N#CCC(=N)C(C#N)C#N,0
CCOC(=O)c1c2c(c(C)n1Cc1ccccc1)-c1nc(N)ncc1CC2,0
CC[N+]12CN3CN(CN(C3)C1)C2.[I-],0
CCNC(=S)NNc1ccccc1,0
CC(=O)NC1=C(OS(=O)(=O)c2ccc(C)cc2)CN(C)C1=O,1
O=S(=O)(O)c1ccc2c(c1)Sc1cc(S(=O)(=O)O)ccc1O2,0
S=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2Cl)CC1,0
CN(N=O)c1ccc(C[C@@H]2CCc3ccccc32)cc1,0
ClCc1ccc(-c2ccc(Cn3cnc4c(Cl)nc(Cl)nc43)cc2)cc1,1
COc1cccc(-c2cc(=O)c3ccccc3[nH]2)c1,1
Nc1nccc2c1ncn2C1OC(CO)C(O)C1O,0
CSc1nc(=O)c(N=Nc2ccc([As](=O)(O)O)cc2)c(N)[nH]1,0
CCOc1ccccc1C=NN=C(N)NN=Cc1ccccc1OCC,1
Cc1cnc2c(c1)C(=O)C1=C(C2=O)[C@H]2OC(=O)C[C@@H]2OC1(C)C,1
Cc1cc(=O)[nH]c(NN=CC(C)C)n1,0
O=C(NCCNC(=O)c1cccnc1)c1cccnc1,0
O=C(CSc1nnc2n1S(=O)(=O)c1ccccc1N2c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1,0
Cc1ccccc1NC(=O)CSC(N)=O,0
COc1cc(Nc2nc3cc(C(F)(F)F)ccc3nc2C)cc(OC)c1OC.Cl,1
CC12CCC3C(CC=C4CC(O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2,1
CO[C@@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H]1O,1
Nc1ncnc2c([C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)nsc12,1
COC(=O)Nc1nc2cc(S(=O)(=O)SC)ccc2[nH]1,1
Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N)cc3)cc2)cc1,0
CCCCC(=O)c1cc(OC)cc(OC)c1,0
COCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0
Cn1c(O)c(Cc2ccccc2)c(=O)n(C)c1=O,0
O=C(OCCNC1CCCCC1)c1ccc([N+](=O)[O-])cc1,0
Cc1cc(=O)c2c(C)ccc(C)c2[nH]1,0
COc1ccccc1C=NN=C(N)NN=Cc1ccccc1OC,1
CCN(CC)CCN1c2ccncc2Sc2ccncc21,0
CCN1C/C(=C\c2cc(OC)c(OC)cc2OC)C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)C1,1
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccc(F)cc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O,0
Cc1ccc(N2CCN(C[C@H](O)COc3ccccc3Cl)CC2)cc1,0
CSc1cccc(NC(=O)Nc2nc3c(C)cccc3s2)c1,0
NC(CCSC(c1ccccc1)c1ccccc1)C(=O)O,0
NS(=O)(=O)c1ccc(-n2ncc3c(=O)[nH]cnc32)cc1,0
O=[N+]([O-])c1cc(Cl)cc2c1nc(NCCO)c1ccccc12,1
N=C(N)n1ncc(Cl)c(Cl)c1=O,1
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
O=C(Nc1ccccc1C(=O)NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1,1
CC1S[C@]2(CC[C@H](c3ccccc3)CC2)N(NC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)C1=O,1
Nc1nc2ccccc2[nH]1,0
Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1,0
O[C@H](COc1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1,0
CC=C1O[C@H]([C@@H](C)[C@H](O)C(C)C(=O)CC)C(C)C(=O)C1C,0
C=CCNc1c(O)cc2c(O)c1C=C(C)C[C@@H](OC)[C@@H](OC(=O)CN(C)C)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)N2.Cl,1
COc1cc([C@@H]2c3cc4c(cc3O[C@H](O)[C@H]2C)OCO4)cc(OC)c1OC,1
Cc1ccc(NC2(C(N)=O)CCCC2)cc1,0
CC(=O)C1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0
O=[As](O)(c1cccs1)c1cccs1,0
NC(=O)c1[nH]cnc1N=NN(CCO)Cc1ccccc1,0
COC(=O)Cn1c2c(c3c(OC)cccc31)C(=O)c1ccccc1-2,0
OCCOc1cc(Cl)cc(Cl)c1,0
S=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc(Cl)c2)CC1,1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)CCl)CC2,1
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3[C@@H](O)CC(C(=O)CO)[C@@]3(C)CC[C@@H]12,0
CC1(C)C2CCC1(C)C1(C2)OC(CCl)CS1,0
CCCC=CC1CCC(CN(C)C)C1=O.Cl,1
CN(C)CCCCN1c2ccccc2Sc2ccc(C(=O)c3ccccc3)cc21.O=C(O)C(=O)O,1
CCN(CC)S(=O)(=O)c1ccccc1,0
O=C(C[C@@H](c1ccccc1)C1CCCCC1=O)c1ccccc1,0
CCCCOCC(=O)N[C@@H](NP(=O)(N(C)C)N(C)C)C(Cl)(Cl)Cl,0
CCCCCCCCCCNC1CC(OC2CC(O)(C(O)CO)C=C3C(=O)c4c(c(O)c5c(OC)cccc5c4O)C(=O)C32)OC(C)C1O,1
C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2Oc1c2ccccc2nc2ccccc12,1
Cn1c2ccccc2c(=NNc2ccc(S(N)(=O)=O)cc2)c2ccccc21,1
CCC(=NO)c1ccccc1,0
C[C@H]1O[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4C=C[C@]3(O)C2)C[C@@H](O)[C@H]1O,1
CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1,0
[O-][N+]1(CCc2ccccc2)CCCCC1,0
Cn1cc(-c2cc(-c3cn(C)c4ccc(Cl)cc34)[nH]n2)c2cc(Cl)ccc21,1
CCCC[Sn+2]CCCC.Nc1ccc(C(=O)[O-])c([O-])c1,1
CC(=NNC(=S)SCc1ccccc1)c1ccccn1,1
CCOc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)O)cc1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@H]1C[C@H](N2CCOCC2)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
C[C@H]1C[C@H](NCCO)CC(C)(C)C1,0
CCCCC(CC)C(=O)OCCCC1CCCO1,0
CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1,0
CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,1
Cc1cc2c(cc1C)N1C(Cl)=C3CCCCC3=C(C#N)[C@@H]1N2,1
O=c1[nH]c(O)c(-c2ccco2)[nH]1,0
O=C(O)Cc1cc[nH]c1,0
CC1Cn2c(Cc3ccccc3)nnc2S1,0
O=C1NCCCCC1(Cl)Cl,0
CCN(CC)CCOc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1.O=C(O)C(=O)O,1
COc1cc(OC)c(NC(N)=O)cc1Cl,0
CC(=NNC(=S)N1CCCC1)c1nc2cccnc2[nH]1,1
O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl,0
Cc1cc(=O)[nH]c2[nH][nH]c(=O)c12,0
O=C(O)CC1=CCCCC1,0
COc1cc2nc(Nc3cccc(Cl)c3)nc(N)c2cc1OC,1
O=C1N=c2ccc(S(=O)(=O)NCCO)cc2=C1c1[nH]c2ccccc2c1O,1
O=C(Cc1ccc(F)cc1)c1ccccc1,0
CC(=O)C(=Cc1ccccc1O)C(C)=O,0
CCCCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3C(C(=O)OCCCCNC(=O)OCc4ccccc4)C(C)=NC(=N1)N23,1
Cc1nonc1-c1ccc2c(c1)OCO2,0
COc1ccc(/C=C2\CC[C@H](C)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC,1
Cl.O=C1/C(=C/c2ccccc2)CN(C(=O)CCN2CCCC2)C/C1=C\c1ccccc1,1
O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1,1
CCOc1cc(N2CCOCC2)c(OCC)cc1N,0
O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1,0
Cc1ccc(C)n1/C=C/n1c(C)ccc1C,0
CCOC(=O)c1cc(OCC)c2c(ccc3ccccc32)n1,0
CN(CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
Cc1ccc([C@@H]2SCc3nc4ccccc4n32)cc1,1
CCCCCCCCCCN(CCCCCCCCCC)CC(O)c1ccc2cc(Cl)c3ccccc3c2c1,0
CC(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,1
Cl.c1ccc(-c2ccc(-c3ccc(C4=NCCN4)cc3)o2)cc1,1
CS(=O)(=O)OCCCS(=O)(=O)O,0
CC1(C)N=C(N)N=C(N)N1c1cccc(CSc2ccccc2)c1.Cl,1
Nc1ncnc2c1nnn2[C@@H]1C=C[C@@H](COS(N)(=O)=O)C1,1
CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccccc1C,0
CCCOC(=O)N1CCCCC1,0
CCN(CC)CCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23,1
COc1cc2c(cc1NC(=O)C(Cl)Cl)-c1ccc(NC(=O)C(Cl)Cl)cc1C2,1
COc1cc(C2c3cc4c(cc3C(N)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CCSc1nc(=O)cc(O)[nH]1,0
Cc1[nH]c(=S)[nH]c(=O)c1CCC1OCCO1,0
CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2c1CCCC2,1
O=C(COc1cccc(/C=C2\CSc3ccccc3C2=O)c1)Nc1nccs1,1
O=C1OC(c2ccccc2)=N/C1=C\c1coc2ccccc2c1=O,0
CC(=NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1nc2cccnc2[nH]1,1
COC(=O)Cc1[nH]c(=S)[nH]c1C(=O)OC,0
O=C(O)c1cc(Cl)c2ccccc2c1O,0
CC(=O)OC[C@H]1O[C@@H](Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)n2[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,1
COc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc([N+](=O)[O-])c3)c2)cc1,0
Oc1[nH]c(O)c2c1[C@@H]1C=C([C@@](O)(c3ccccc3)c3ccccn3)[C@H]2/C1=C(/c1ccccc1)c1ccccn1,0
CC=C(CC)C(=O)NC(N)=O,0
O=C(/C=C/c1ccco1)c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1,1
Oc1ccc(CCNc2nc3ccccc3c3[nH]c4ccccc4c23)cc1O,1
O=C(Oc1cccnc1)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)O)C(=O)OC2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)O)C(=O)OC3C)c1=N2,1
CCOc1cc2c(cc1O)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
C[C@@H]1C=C[C@@H](C)C(C(=O)c2ccccc2)C1C(=O)c1ccccc1,0
Cn1c(N)nc(N)c(NC=O)c1=O,0
COc1cccc(CO)c1OC,0
O=[N+]([O-])c1ccc(Oc2cccnc2)c([N+](=O)[O-])c1,1
NC(=O)C(c1ccccc1)N1Oc2c(c(O)n(-c3cccc4ccccc34)c2O)[C@@H]1c1c2ccccc2c(Cl)c2ccccc12,1
O=C(/C=C/c1ccncc1)c1cc(Cl)ccc1O,0
COc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1,0
CCC(C(=O)C(C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H](C(CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+],1
C=CC(C#N)OC(C)=O,0
Oc1[nH]c2ccc(Br)cc2c1N=NC(=S)Nc1ccc(F)cc1,1
Cl.NCC[Se][Se]CCN,1
CC[Ge]1(CC)CCC2(CCN(CCCN(C)C)C2)CC1,1
O=C1NCC(O)CN1,0
C=CCC1(CCC)C(=O)NC(=S)NC1=O,0
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2C[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)F)[C@@]32C)[C@H](O)[C@H](O)[C@H]1O,1
CCOC(=O)C(C(=O)OCC)[N+](=O)[O-],0
Cc1cccc([N+](=O)[O-])c1C,0
COc1ccc([C@](O)(c2ccccc2)C(C(=O)O)c2ccccc2)cc1,0
COc1ccc(C(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC,0
CSc1nc(=O)c2c([nH]1)N[C@H](c1ccc(F)cc1)C1C(=O)c3ccccc3C1=N2,1
Cc1cc(N)nc(C)n1,0
CC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([Se]c2ccccc2)CC(=O)O1,1
CN(C)c1ncnc2c1ncn2[C@@H]1CCCCO1,0
COC(=O)c1c(O)cc(OC)cc1O,0
COc1cc(C=O)cc(C=Nc2ccc(Br)cc2)c1O,1
CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2,1
O=[P@@]1(N(CCCl)CCCl)OCCCN1CCCl,0
CC(C)CC(NC(=O)CI)C(=O)O,0
O=C(N/N=C/c1coc2ccccc2c1=O)c1cc2oc(-c3ccccc3)cc2[nH]1,0
O=C(Nc1ccccc1)[P@@](=O)(O)c1ccccc1,0
O=C1C(=Cc2ccc(Cl)cc2)CCC1CNc1ccc(Cl)cc1,1
C.N=C1CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@H](c3ccccc3)N12,1
CCC(c1cccc(O)c1)C(CC)c1cccc(O)c1,1
CN(C)C(=S)N=c1ssc(=S)n1Cc1ccco1,1
CCNC(=S)Nc1cccc(C)c1,0
Nc1nc(N)c2c(n1)CC[C@@H](S(=O)(=O)c1ccc3ccccc3c1)C2,1
Cc1cccc(C)c1NC(=O)c1ccccc1,0
CC(=O)OC[C@H]1O[C@@H](O/C=C(\CN=[N+]=[N-])C(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,1
Cn1c(-c2ccccc2)c(O)[nH]c1=O,0
CN(C)CSC1=NCCS1,0
C=C1CC[C@@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1CC[C@H](CO)CCO,0
O=C1C(=O)N(c2nncs2)[C@H](c2cccc(Br)c2)C1C(=O)c1cccs1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](N(C)c3ccc(N(C)C)cc3)[C@@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
COC(=O)c1nccnc1N,0
O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1,0
O=C(NCCCl)c1cccc(F)c1,0
CC(=O)NCC1(O)CCCC(C)C1,0
CC(=O)Oc1c(C(C)C)cccc1C(C)(C)C,0
CC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(Cc2cc(C(C)(C)c3ccccc3)cc(C(C)(C)C)c2O)c1O,0
O=C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cccnc1,0
CCCCCCCCCCCCCCC(=O)c1ccccc1,0
CCCN1/C(=C(\C#N)C(=O)OCC)Sc2c1[nH]c(C)nc2=O,0
O=C(NCCSCCCl)NC1CCCCC1,0
CC[C@@]1(OP(=O)(O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,1
COc1ccc(C(c2ccc(C(C)C)cc(=O)c2O)c2ccc3cccnc3c2O)cc1,1
CCCCCCc1cc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc2cc1O,1
Cc1c(Cl)c(C)c(Cc2c(C)c(Cl)c(C)c(Cl)c2O)c(O)c1Cl,1
C=COC=C.O=C1C=CC(=O)O1,0
Cl.N=C(N)N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3ccccc3n12,1
CC(=O)OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F,1
Cc1ccc2cccnc2c1N,0
COc1cc2c(C=C3C(=O)Nc4c3ccc3ccccc43)c(Cl)[nH]c2cc1C,1
COc1ccc(NC(C)=O)c([N+](=O)[O-])c1,0
CCOC(=O)C=C(OP(=O)(OCC)OCC)C(=O)OCC,0
N#Cc1ccc(CCc2ccccc2)[nH]c1=O,0
N=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21,1
Nc1cccc(/C=C/c2ccncc2)c1,0
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nnc(-c2ccco2)o1,0
O=[N+]([O-])c1ccc2[nH]cnc2c1,0
C=CC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,1
CCOC(=O)NN=Cc1ccc(OC)c(OC)c1,0
COc1cccc(NC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)c1,1
Cc1nc2n(c1C(=O)N1CCCCC1)CCS2(=O)=O,0
CC(C)CCNc1ncnc2c1cnn2C.Cl,0
CC(N)C12CC3CC(CC(C3)C1)C2.[Cl-].[H+],0
Cn1c(=O)c2[nH]c([C@@H]3C[C@H]4CC[C@@H]3C4)nc2n(C)c1=O,0
CN(C)C(=O)OC1CCCCC1,0
COc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)N2C=CC=CC2=C(C#N)C#N)cc1OC,1
CC(C)c1cccc(C(C)C)c1O,0
COc1ccc(NC(=S)Nc2ccc(OC)cc2)cc1,0
N#Cc1ccc(CC(=O)c2ccccc2)[nH]c1=O,0
CC(=O)C(C)c1ccccc1,0
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,0
Cl.O=C(NCCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
O=C(Oc1cc(Cl)ccc1Cl)c1ccccc1,0
CCOC(=O)C(=NNc1nn[nH]n1)C(C)=O,0
ClC(Cc1ccccc1)c1ccccc1,0
CSc1nc(=O)c(N=Nc2ccc([As](=O)(O)O)cc2)c(N)[nH]1,0
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@@H](c2ccoc2)[C@@]1(C)CC3,0
CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O,1
CC(=O)OCCC(C)CCC=C(C)C,0
COc1cc2c(cc1OCCCN1CCN(C)CC1)N=CC1CCCN1C2=O,1
Oc1c(Br)cc(Br)c(O)c1Br,0
COc1ccc(SC)cc1,0
Cc1ccc(N2CCN(CCC#N)CC2)cc1,0
Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc(S(C)(=O)=O)nc1S(C)(=O)=O,1
CC(CCC#N)(CCC#N)C(=O)CC(O)(C(F)(F)F)C(F)(F)F,1
S=c1nc(-c2ccccc2)oc(=NC2CCCCC2)n1C1CCCCC1,1
NS(=O)(=O)c1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)ccc2=O)cc1,0
C/C=C(\C)C(=O)NN=Cc1cc(Cl)cc(Cl)c1O,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1.CCS(=O)(=O)O,1
N#Cc1c(C#N)c(O)c2ccccc2c1O,0
COC1=CC(=O)OC(C=Cc2ccccc2)(OC)C1=O,0
CCN1/C(=C/C(C)=C/c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.[Br-],1
CC1=NN(c2nc(N)nc(/C(C#N)=C/c3ccc([N+](=O)[O-])s3)n2)C(C)(C)C1,1
N#CC(NNC(=O)Cc1ccccc1)c1c(O)ccc2ccccc12,1
Cc1cc(O)c(Cl)c(C)c1Cl,0
Cc1cn2c(/C=N/N=C(N)N)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1.Cl,1
COc1cc(OC)c(NC(=O)CC(C)=O)cc1Cl,0
CCC[C@H]1O[P@](=O)(N(CCOC(C)=O)CCOC(C)=O)OC[C@@H]1CC,0
Cc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccc(Cl)cc3)n2)cc1,0
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1,0
ON=C[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccccc1,1
CCCCNC(=O)OC(C)C,0
NNS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NN)c1,0
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1Cl)c1cccnc1,1
CC/C=C/[C@@H](/C=C/C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)CC,1
Cn1c(=O)c2[nH]c(NCc3ccc(Cl)cc3)nc2n(C)c1=O,0
CCOC(=O)CCCC[C@@H]1[C@@H](CCCC(=O)OCC)C=NN1C,0
CN=C(NC)NN=C(C)C=NN=C(NC)NC,0
O=C1c2sccc2C(=O)c2c(CO)csc21,1
O=Cc1ccc(OCc2ccccc2)cc1,0
CC(=O)NS(=O)(=O)c1ccc2sc(C)nc2c1,0
O=C(/C=C/c1ccc2c(c1)OCO2)OC/C=C/c1ccc2c(c1)OCO2,0
CC(C)CCC(=O)c1ccco1,0
CCCCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
O=C(COc1cccc(/C=C2\CSc3ccccc3C2=O)c1)c1ccc(Cl)cc1,1
COc1cc(OC)c2nc(C)c3c(c2c1)NCC3,1
CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3,1
C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@]3(O)[C@@H]1C[C@]14O[C@]5(O)[C@H](O)CC[C@@]1(C)[C@@H]5C[C@@H](O)[C@H]34)[C@@]2(C)O,0
CCOC(=O)c1ccccc1OC(=O)NNc1ccccc1,1
CCOC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1,1
CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,0
O=[N+]([O-])c1ccc(NC2CCCCC2)nc1,0
CCC[C@]1(C(=O)OCC)CCCCC1=O,0
CC(=O)C1C(=O)OC(=Cc2ccccc2)C1=O,0
COc1ccc(-c2nnc(-c3cc(Cl)cc(Cl)c3Cl)o2)cc1,0
Cc1ccc([S@@+]([O-])C(c2ccccc2)c2ccccc2)cc1,0
O=C1N=c2ccccc2=C1Cc1c(Cl)[nH]c2ccc(O)cc12,1
CCOc1ccc(NC(C)=O)cc1,0
NC(=O)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,0
CSc1ccc2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc([N+](=O)[O-])ccc12,1
COc1ccc([N+](=O)[O-])cc1NC(=O)CC(=O)c1ccccc1,0
N#CC(C(=O)O)=C1CCCCCC1,0
COC1(OC)CC(C)C23OC24c2cc(O)c5c(c2NC3C#CC=CC#CC14O)C(=O)c1ccccc1C5=O,1
COC(=O)C=CCBr,0
CC(=O)Nc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1-2,0
Nc1nc(N)nc(-c2ccccc2-c2nc(N)nc(N)n2)n1,0
CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c2c1cc(O)c1[nH]c(Cc3ccccc3)nc12,1
CC1CN(C2CCCCC2)C(=S)N(c2ccccc2)C1=O,0
CC1(C)CNC(=S)N1Cc1ccccc1,0
COC(=O)c1ccc2nc(-c3cc4ccccc4n3C)n(CCCCOc3cc4c(cc3OC)C(=O)N3CCCC3C=N4)c2c1,1
CCSc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1
O=C(O)c1ccc(C=NN2CCCCCC2)cc1,0
Cc1cc(N)c(S(=O)(=O)O)c(N)c1,0
Cc1cc(Cl)cc(Cc2cc(Cl)cc(C)c2O)c1O,1
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2C=O.[Ca+2],0
O=C(NCCc1ccccc1)C(Cl)Cl,0
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O,1
C[C@@](O)(c1ccccc1)[C@@H](c1ccccc1)[C@@H]1CCCCN1,0
CC1=C\[C@@H](C)C[C@]2(C)CC[C@H](O2)[C@]23CC[C@](C)(C[C@H](O2)C2O[C@@](C)(CC2=O)[C@@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)C(C)C(=O)O[C@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@@H]5O)O[C@H]4/C=C/1)O2)O3,1
Cc1cn2c(/C=N/N=C(N)N)c(-c3cccc([N+](=O)[O-])c3)nc2s1.Cl,1
Cc1cc(C)c2c(=O)cc(-c3cccc(F)c3)[nH]c2n1,1
Cc1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1,1
COc1ccc(-c2cc(-c3ccccc3)nc(N)c2-c2ccc3ccccc3c2)cc1,1
Cl.N[C@H](CO)Cc1c[nH]cn1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCN3CCOCC3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
Cc1cccc(N2CCN(C[C@H](O)COc3ccccc3Cl)CC2)c1,0
Fc1ccc(C(OCCN2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1.O=C(O)C(=O)O,1
CCCCCC(C(=O)OCC)C(=O)OCC,0
Cn1c(=N)n[n+]([O-])c2ccccc21,1
OCc1cc2cc[nH]cc2c2c1nc1ccccc12,1
CC(=O)Nc1nc(C)c(C(=O)NNC(=O)NC2CCCCC2)s1,0
CCCCn1cnc2c(=O)[nH]cnc21,0
CN(C)CCS(=O)(=O)CCN(C)C,0
Cc1ccc(S(=O)(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1,0
CC(C)C(NC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCc1ccccc1)C(C)C.Cl,1
CN1C(C(=O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O,0
COc1ccc(C(=O)c2ccccc2CN2C(=O)c3ccccc3C2=O)cc1,0
COC(=O)c1oc2c(C(=O)/C=C/c3ccc(OC)cc3)c(OCCCN3CCCCC3)ccc2c1C.Cl,1
CC(=O)OCC1OC(N2C(=S)C(C#N)C(c3ccco3)C=C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,1
CCCCCC(=O)OC1CCCC1,0
CC(=NNC(=S)N1CCCCCC1)c1nccnc1C,1
CCOC(=O)C1(C(=O)OCC)CC1,0
Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cn1,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCO)c12,1
O=C(CCCCCC1CCCCC1)OCCc1ccccc1,0
CC(=O)Nc1nc(C)c(C(=O)N/N=C/N2CCCCC2)s1,0
O=S1(=O)C[C@@H](O)[C@H](Cl)C1,0
COC(=O)C1=c2cc3c(O)c4c5c(cc(O)c4c(O)c3c(O)c2=CCC1(C)O)C1(C)OC(O5)C(O)C(N(C)C)C1O,1
CCOC(=O)/C=C(\C(=O)OCC)n1cc(C)c(=O)n(/C(=C/C(=O)OCC)C(=O)OCC)c1=O,1
CCN(CC)CCCNc1[nH]ncc2c(C)c3nc4ccccc4c3cc12,1
O=c1c2ccccc2nnn1-c1ccccc1[N+](=O)[O-],0
NNC(=O)c1ccc(C(=O)O)cc1,0
COc1cc2c(cc1OC)C(C(=O)O)[C@@H](c1ccc(OC(C)C)c(OC)c1)N(C)C2=O,0
C[C@]1([N+](=O)[O-])CO[P@@](=O)(NCc2cccnc2)OC1,0
O=C1c2ccccc2C(=O)C1c1ccccn1,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)s1,0
O=S(=O)(O)c1cccc2c1oc1ccccc12,0
Cc1ccc(Nc2nc3sc4cc(Cl)c(Cl)cc4n3c(=O)c2C#N)cc1,0
CCOC(=O)C(Cc1ccc2ccccc2c1)(Cc1ccc2ccccc2c1)C(C)=O,1
Cc1ccc2c(C)c(C)c(=O)n(C)c2c1,0
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2C1CC(O)C(CO)O1,1
CN1C(=O)[C@@]2(Nc3ccccc3S2)c2cc(OC(F)(F)F)ccc21,0
Cc1c2cccc-2ccc2c1[nH]c1ccc(Br)cc12,1
FC(F)(F)c1cnc(NN=C(c2ccccc2)c2ccccn2)c(Cl)c1,1
O=S(=O)(O)c1ccc(O)c(S(=O)(=O)O)c1,0
N=C1N(/N=C/c2ccccn2)/C(=N/c2ccccc2)C(=S)N1c1ccccc1,1
O=c1[nH]c(=Cc2cccs2)c(=O)[nH]c1=Cc1ccc(OCc2ccccc2)cn1,1
COC1C(O)C(C)OC(OC2CC3CCC4C(CCC5(C)C(C6=CC(=O)OC6)CCC45O)C3(O)C(OC(C)=O)C2)C1O,1
Cc1ccc(S(=O)(=O)N2C[C@@H](CCN)c3ccccc32)cc1,1
O=[N+]([O-])c1cc(C(F)(F)F)ccc1SSc1ccc(C(F)(F)F)cc1[N+](=O)[O-],0
CC(=O)Nc1nc(C)c(CCC2OCCO2)c(Cl)n1,0
CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc(O)cc1)SC(=N)N2,1
COc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC,0
COc1oc(C(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1,1
O=C1/C(=C\c2ccc(Cl)cc2)CSC/C1=C/c1ccc(Cl)cc1,1
O=C1c2ccccc2C(=O)N1CCCN1c2ccncc2Sc2ccncc21,0
Nc1nc(=O)c(C=O)c(N)[nH]1,0
Clc1ccc(Cc2nc3ccccc3[nH]2)cc1,0
C[C@]1(NCc2ccc(Cl)cc2)CO[P@](=O)(NCc2ccccc2)OC1,0
O=c1cc(O)[nH]c(=S)[nH]1,0
O=S(=O)(Nc1ncccn1)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1,0
CC(=O)N=C1CC(=O)c2cc(C)cc(O)c2C1=O,1
CC(C)N(CCCl)C(C)C,0
CC(=O)n1c(-c2ccc(Br)cc2)cc(-c2cccn2C)c(C#N)c1=O,0
O=C(O)CSc1ccc(Cl)cc1,0
S=C(NCc1ccccn1)NN=Cc1ccccn1,1
Cc1nn(-c2ccc(Cl)cc2)c(N)c1[C@@]1(O)C(=O)Nc2ccc(F)cc21,0
N#Cc1cccnc1,0
O=[P@]1(NC2CCCCC2)OCC2(CO[P@](=O)(NC3CCCCC3)OC2)CO1,0
CC[C@@H](C)C1NC(=O)C2CCCN2C(=O)C([C@@H](C)O)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C([C@@H](C)CC)NC(=O)C([C@@H](C)CC)NC1=O,0
CCn1nnn(Cc2ccccc2)c1=N,0
Cc1cc(OCCCCOc2ccc(C#N)cc2)ccc1[N+](=O)[O-],0
NNc1nnc(NN)c2ccccc12,0
CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1,0
C[C@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@]34O[C@H]4C[C@@]21C,0
CCN(CC)CCCNc1cc(OC)cc2nc3cc(Cl)ccc3nc12,1
CC(C)C1=C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@H]1c1c3c(O)n(-c2ccc(Cc3ccc(-n4c(O)c5c(c4O)[C@]46C=C(C(C)C)[C@H]5C[C@H]4[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC6)cc3)cc2)c1O.[Na+],1
CCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,1
CCOC(=O)c1c[nH]nc1C,0
CC(C)(C)c1cc(Br)c(O)c(CNc2ccccc2)c1,0
O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
N#Cc1cnc2nc1NCCCCCCC2,0
Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@H](CO)C3)c2n1,0
Clc1ccc(SCCSCCSc2ccc(Cl)cc2)cc1,0
COc1cccc(-c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)c1,1
COc1cc2c(cc1OCCCCCN1CCN(c3cc(=O)oc4c(C)c(OC)ccc34)CC1)N=CC1CCCN1C2=O,1
CCOC(=O)C1C(=O)CC(=O)C(C(=O)OCC)C1c1ccc(O)cc1,0
COc1ccc(-n2c(O)csc2=S)cc1,0
COC(=O)c1ccccc1NCCO,0
CCC1(c2ccccc2)SC(=O)NC1=O,0
CCOC(=O)C(C#N)(CC)C(C)=C1CC1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(Cl)cc2Cl)cc1.Cl,1
O=C(C1O[C@@H]1c1cccc([N+](=O)[O-])c1)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,1
CC(=O)C(=Cn1cc(O)[nH]c1=S)C(=O)Nc1ccccc1C,0
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.[Cl-].[H+],0
O=C(O)CCc1ccccc1Cl,0
CC(=O)OC(C(=O)NC(C(=O)O)C(C)C)c1ccccc1,0
O=[N+]([O-])c1c(F)c(F)c2c(c1F)Nc1ccccc1S2,1
CC1(C)CNC(C(=O)O)C1,0
CCOC(=O)C[C@@]1(C)NC(C(=O)O)C(C)(C)S1,0
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1,1
Nc1ccccc1C#CC(=O)c1cccc(C(F)(F)F)c1,1
C[C@]1(c2ccccc2)CC(c2ccccc2)=C(C#N)C(=O)N1,0
CCN(CC)c1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1,0
C=CCOc1ccc(Cl)cc1Cl,0
CN(C)[C@@H](CN)c1ccccc1,0
O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)O,0
Cc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c31,1
O=C(N/N=C\c1ccccc1Cl)C(=O)N/N=C/c1ccccc1Cl,0
CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[I-],1
CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl,1
CCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@H](C)O.Cl,1
C=C(C(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OC[C@@H]2CC[C@@H]3C[C@]4(OC(=O)C3=C)C(C)=CC(=O)C24)O[C@H]1CO)[C@@H]1CC[C@H](CO)C2C(=O)C=C(C)[C@@]2(O)C1,1
O=c1cc(-c2ccccc2)[nH]c2ncccc12,1
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O.Cl,1
O=c1[nH]c2nc(S(=O)(=O)O)nc(S(=O)(=O)O)c2[nH]1,0
N#CC(C=N)C(N)=O,0
Nn1c(=S)[nH]nc(C=Cc2ccco2)c1=O,0
CC(=O)c1c(NS(=O)(=O)c2ccc(N)cc2)c(-c2ccccc2)n(C)c1C,0
CCCOC(=O)n1cccc1,0
C[Se][C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O,1
CC(=O)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2,0
CC1NC(=O)NC(=O)C1Br,0
C=CCNP(=O)(OCC)OCC,0
CC(CCC(=O)O)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O,0
CCCNc1ncc2c(=O)[nH][nH]c(=O)c2n1,0
NC(CC(=O)O)C(=O)O,0
O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1,0
CCC[S@@](=N)(=O)CCC(N)C(=O)O,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CC(=O)Oc1ccc(F)cc1)C2,1
COC(=O)[C@]1(C)Cc2cc(OC(C)=O)c(OC(C)=O)cc2N1,1
O=C1NC(c2ccccc2)N=C2Oc3ccccc3C=C12,1
COC(=O)c1ccc(/C=C(\c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)o1,1
Cc1ccc(OCc2ccccc2Cl)cc1,0
CC(=O)O.O=C(CCN1CCCCC1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CCO)cc1C2=O,1
C=CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2,1
COC(=O)CCP(CCC(=O)OC)c1ccccc1,0
CC(=NNc1nc2cc(Cl)ccc2s1)c1ccccn1,1
CCC(=O)OCc1ccc(OC)cc1,0
O=C(c1ccccc1)c1ccc(O)cc1O,0
N=C1C(=O)c2cc(S(N)(=O)=O)ccc2C(=O)C1Cl,1
CCCCCc1c(O)n2c3ccccc3c(-c3ccccc3)cn2c1=O,0
CCCCCCCCCCCC[n+]1ccccc1.S=c1[n-]c2cc(Cl)ccc2s1,1
C=c1c(NC(=O)C(C)=CC=CC(C)[C@@H](O)[C@@H](C)[C@@H]2O[C@@H](O)[C@@H](C)[C@H](O)C2C(=O)OC)c(O)c2c(O)c(C)c3c(c2c1OC(C)=O)=C(C(C)=CC(C)=O)OCO3,1
Cc1cccc(C)c1OC(=O)c1ccccc1,0
CC(C)(C(N)=O)N1CCN(c2ccccc2)CC1,0
Clc1ccc(C=Cc2ccc3ccccc3n2)cc1,1
O=C(NC(O)C(Cl)(Cl)Cl)c1ccccc1,0
CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)C(=O)CCC5)C3)CCCC2,1
NC(=O)C(C=NC(=S)Nc1ccccc1)C(N)=O,0
c1ccc(C(=NNc2nc3ccccc3[nH]2)c2ccccn2)cc1,1
CCC(O)(C(c1ccccc1)c1ccccn1)C(c1ccccc1)c1ccccn1,0
CC(C)C(=O)NCCO,0
COc1cc(CCNc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc(OC)c1,1
O=[S@](OCCN1CCCC1)C(c1ccccc1)c1ccccc1,0
COc1ccc(CCN2[C@H](CC(=O)c3ccccc3)CCC[C@H]2CC(=O)c2ccccc2)cc1OC,0
NC(C(=O)O)c1ccc(CBr)cc1,0
COC(=O)C(C)[C@H]1CC[C@@](C)(CCC2=C(C)C[C@H]3C=C(C)CC[C@@H]3C2(C)C)OO1,1
O=C(N/N=C/c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2,0
CN(C)c1ncc2c(=O)[nH]cnc2n1,0
CCN(CC)CC(=O)N1CCOCC1,0
Cc1ccc2oc(=O)c3c(O)c4cccc(O[C@H]5O[C@H](C)[C@H]6O[C@@H](c7ccccc7)O[C@@H]6[C@H]5O[C@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@H]5O)c4c4oc(=O)c1c2c34,1
O=C(Cc1ccc(F)cc1)N=C1C(=O)c2ccccc2C(=O)C1Cl,1
CCCCCCCCC=CCCCCCCCC(=O)N(O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,1
NS(=O)(=O)c1ccc(-n2ncc3c(NNC(=S)Nc4ccccc4)ncnc32)cc1,0
Cc1nc2c(n1-c1ccc(Br)cc1)C(=O)c1ccccc1C2=O,1
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c3nnc(C)n23)cc1OC,0
Cc1c(C(=O)CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)[n+]([O-])c2ccccc2[n+]1[O-],1
CC(C)(C)c1ccc2c(c1)OP1(Oc3cccc4cccnc34)(O2)Oc2ccc(C(C)(C)C)cc2O1,1
O=C(Nc1ccccn1)c1ccccc1,0
CC(=O)OCC(C)CCC1OC2CC3C4CCC5CC(OC(C)=O)CCC5(C)C4CCC3(C)C2C1C,0
Cc1ccc2c(c1)C(=O)C(C=Nc1ccc(C(N)=O)cc1)[C@H](O)O2,0
COc1ccc2nc3ccccc3c(NCCCCCCN(C)CCCl)c2c1.Cl,1
O=C1c2ccccc2C(=O)c2c(NCCCNCCO)ccc(NCCCNCCO)c21,1
Nc1nc(N)c2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2n1,1
Cc1ccc(C(C)(C)C)cc1,0
CC=CC=CC(=O)c1c2cccc(O)c2c(O)c2c(O)cc(C)cc12,1
COc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1,0
O=c1cc(C2CCCCC2)[nH]c(=O)[nH]1,0
O=C(c1ccsc1)c1cc2c(s1)C(=O)c1ccsc1C2=O,1
O=C(Cc1ccccc1)c1ccc(N2CCOCC2)cc1,0
Cc1ccc(Cl)cc1NC(=O)N(C)CCO,0
N=C1NCCO1,0
COc1cc(C=O)ccc1OC(C)=O,0
CCOC(=O)/N=c1\ssc(Cl)c1Cl,1
Cc1ccc(S(=O)(=O)O)cc1.NC(=NO)NN=Cc1ccccc1O,1
CC(C)(C)COC(=S)S,0
CCOc1ccccc1C=C(C#N)C#N,0
Cl.O=C1C(=Cc2ccc(Cl)c(Cl)c2)CN(C(=O)CCN2CCOCC2)CC1=Cc1ccc(Cl)c(Cl)c1,1
Cc1ccc([C@@H]2N=C(N)NC3=C2CCOc2c3ccc3ccccc23)cc1,1
Cc1cnc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1,1
CCOC(=O)Nc1nc2cc(Cn3cccc3)ccc2[nH]1,1
CC(=O)NC1=NC(=O)C(=Cc2ccc(C=C3C(=O)N=C(NC(C)=O)N3C)cc2)N1C,0
O=C1C=C/C(=N/c2ccc3c(c2)Cc2cc(F)ccc2-3)O1,0
Cc1c2c[nH]ccc2nc2nc3ccncc3c12,1
COc1cc2c(cc1OCCCCC(=O)Nc1cc3c4ccccc4ccc3c3ccccc13)N=CC1CCCN1C2=O,1
COc1ccc(C(=O)c2cc(S(=O)(=O)O)c(OC)cc2O)c(O)c1.[Na+],0
CC(C)(CN1CCCCC1)C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(=O)NN=C(C=Cc1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCCC1.Cl,1
C1CN1c1nc(N2CC2)nc(N2CC2)n1,1
CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,0
O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1)c1ccccc1,0
O=C(/C=C/c1ccccc1)CCN1CCCCC1,0
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,0
O=C1NC(=S)NC(=O)C1=Cc1ccncc1,0
COc1cccc(C=C(C#N)C(=O)O)c1,0
Oc1ccc(C=NNC(=S)Nc2cccnc2)nc1,1
CCc1cnc(=S)n(-c2ccccc2)c1,0
CCOC(=O)[C@]1(c2ccccc2)CCOC1=O,0
Cc1[nH]c(N)nc(=O)c1Br,0
Cc1ccc(C)n1-c1ccc(Cl)cc1,0
C#CCn1c(=O)c(I)cn(/C(=C/C(=O)OCC)C(=O)OCC)c1=O,1
O=[N+]([O-])c1ccccc1-c1ccc(Cl)cc1,0
Cc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1,0
C[C@@H](NCCN(C)C)[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,1
CCCC1CCCCN1,0
O=[N+]([O-])c1cc(F)cc(F)c1,0
CC1(C)CC(=O)C(C=NC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(=O)C1,0
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[Na+],1
O=C(O)C(Cc1cccs1)c1cccs1,0
O=c1cn[nH]c(=O)[nH]1,0
COc1ccc([C@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@H]4O)cc3O2)cc1O,0
O=C(CCCCC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1Cl)O[C@@H]1CS(=O)(=O)C[C@H]1Cl,0
CCCCCCCCCC1OCC(C)(C)CO1,0
CCOC(=O)C(CCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)(NC(C)=O)C(=O)OCC,0
COCCCN=C1SC2(CCCC2)NC(=O)C1C#N,0
COc1ccc(OC)c2c(C)c(C)[nH]c12,0
O=c1c(=O)c2cscc2c1=O,1
O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2,0
OCc1sccc1-n1cccc1,0
C=COCCCCCCCCCCCCCCCCCC,0
COc1cc2c(cc1OCc1ccccc1)N=CC1C/C(=C/C(=O)NCCCN3C(=O)c4cccc5cccc(c45)C3=O)CN1C2=O,1
COC(=O)NC1(C(=O)O)CCCC1,0
CCCCCCCC(=NN=C(N)N)c1ccc(O)cc1,1
Cc1cn([C@@H]2CCCCO2)c(=O)[nH]c1=NO,0
C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)[C@@]12O[C@@H]1CCC2=O,1
CC=Cc1ccc(OCC)c(O)c1,0
Nc1nc(N)c(N=Nc2ccc(C(=O)O)cc2)c(N)n1,0
O=C(O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1,0
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(O)C(NC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Nc1ccc(F)c(C(F)(F)F)c1,0
CCCCOc1c(Cl)cc(Cl)cc1-c1ccccc1,0
OCCNCN(CNCCO)c1nc(N(CNCCO)CNCCO)nc(N(CNCCO)CNCCO)n1,1
CNCC(C)C(Cl)c1ccccc1,0
CCCCCOc1ccc2ccccc2c1,0
O=[N+]([O-])c1ccc(O)cc1.S=c1[nH]cnc2[nH]cnc12,1
CN1C[C@](O)([C@H](O)[C@H](O)[C@H](O)CO)SC1=S,0
CS(=O)(=O)c1cccnn1,0
COc1cc([C@@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ncnn32)cc(OC)c1OC,1
O=C(CCN1CC[C@H]2CC[C@H](C2)C1)c1ccccc1,0
CCOC(=O)N1CCN(C(=O)OCC)CC1,0
C=C1C(=O)O[C@@H]2[C@H](O)[C@@H](C)C3=CCC(=O)[C@@]3(C)[C@H](OC(=O)C=C(C)C)[C@H]12,1
CN=C(N)NN=C(C)c1ccc2c(c1)Cc1cc(C(C)=NN=C(N)NC)ccc1-2,1
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O,0
COc1ccc([C@@H](NCCN[C@@H](c2ccc(OC)c(OC)c2)c2cc3c(cc2O)OCO3)c2cc3c(cc2O)OCO3)cc1OC,1
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2S(=O)(=O)c2ccc(C)cc2)cc1OC,0
c1ccc(P(=Nc2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
COc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1O,1
Cc1ccc(C)c2c1sc1nc3nc4sc5cc(Cl)c(Cl)cc5n4c(=N)c3c(=N)n12,0
Clc1nc(Cl)c(Cc2ccccc2)c(Cl)n1,1
Nc1ccn([C@@H]2CCCO2)c(=O)n1,0
C1COCCOCCOCCOCCOCCO1.Cl[Sn](Cl)(c1ccccc1)c1ccccc1,1
CCCCSCN1CCN(c2ccc(Cl)cc2)CC1,0
Nc1nc(Cl)cc(NCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1,1
O=C1C=CC(=O)N1c1ccc(I)cc1Cl,0
Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,0
Cc1cccc(C)c1[N+](=O)[O-],0
COc1cc(NCCCCCN=C(N)N=C(N)NC(C)C)c2ncccc2c1.Cl,1
Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2o1,1
O=C(Nc1ccccc1)c1cc(-c2ccccn2)nc2ccccc12,0
O=C1C=CC2(C=C1)O[C@H](COCc1ccccc1)[C@@H](COCc1ccccc1)O2,1
C[C@H](c1ccccc1)N(C)C,0
COc1cc(OC)cc(Oc2nc3cc(N)cc(N)c3nc2-c2ccccc2)c1,1
CC(=O)[O-].COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1,1
O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)c(Cl)c2)nc1,0
COc1ccc(C2C(=N)NN[C@H]2c2cccc(O)c2)cc1,0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO,1
Clc1ccc2[nH]cnc2c1,0
O=C(Oc1ccc(Cl)cc1)c1ccccc1,0
CCC(=O)OCOc1ccc(/C=C2/CCC(CN(C)C)C2=O)cc1.Cl,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O1)C3=O,1
O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O,0
CCCCSc1ncnc2c1ncn2C1CCCCO1,0
[Br-].c1ccc([P+](CCN2Cc3ccccc3C2)(c2ccccc2)c2ccccc2)cc1,1
COCCOCOC(CCCCO)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1,1
NNC(=O)c1cccs1,0
CSc1cc(C)nc(N)n1,0
Nc1nc(N)c(-c2cccc(C(F)(F)F)c2)c(Cc2cccc(C(F)(F)F)c2)n1,1
O=C1c2ccccc2C(=O)c2c(NCC3CO3)ccc(NCC3CO3)c21,1
CC(C=CC=CC=CC=CC=CC(=O)c1c(O)c(CCC(=O)[O-])n(C)c1O)=CC(C)C(OC1CC(O)C(O)C(C)O1)C(C)C.[Na+],1
CC(C(=O)O)n1cc(C#N)c(=O)[nH]c1=O.NC1CCCCC1,0
Cc1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1,1
COc1cc([C@H]2CC(c3cccc(Br)c3)=NN2)cc(OC)c1OC,0
Cc1c[nH]cn1,0
OCCOc1ccccc1-c1ccccc1,0
CC[C@@]1(c2ccccc2)C(=O)N=C(N)N(C#N)C1=O,0
O=S(=O)(c1ccc(N=C2N[C@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1)c1ccc(N=C2N[C@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1,1
O=C(NNC(=O)c1cccc2ccccc12)c1cccc(Br)c1,0
COc1ccc(/C(Cl)=C(\C=O)c2ccc(Cl)cc2)cc1OC,1
O=C(O)c1ccccc1-c1ccccc1,0
C1CNCCN1,0
N#CCNc1ccccc1,0
CC(=O)Oc1ccccc1/C=C/C(=O)/C=C/c1ccccc1OC(C)=O,1
C=C1CO[C@@](O)([C@@H]2OCO[C@H](C3CC(=O)NC(=O)C3)[C@H]2O)[C@H]1C,1
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCOCC1,0
N#Cc1nc(C#N)c(Sc2ccccc2)c(Sc2ccccc2)c1Sc1ccccc1,1
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,0
NC(=S)c1ccc[n+]([O-])c1,0
O=C(C=Cc1c(-c2ccccc2)[nH]c2ccccc12)S(=O)(=O)c1ccccc1,1
OCCNC1CCCCC1,0
CC1(C)N=C(N)N=C(N)N1CCCCc1ccccc1,1
CCN(CCO)c1cccc(C)c1,0
S=c1nc2[nH]c(=S)[nH]c2c[nH]1,0
COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1C(N)=NC(=N)N.Cl,1
COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,1
CCC1(C(OC)OC)NC(=O)N(C)C1=O,0
Cl.N[C@H]1C=C(O)c2csc(Cl)c21,1
O=C(O)c1cc(NC(=O)C(Cl)Cl)cc([N+](=O)[O-])c1,0
O=C1OCCC1=Cc1ccc(O)cc1,0
COc1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=NNC(=O)c2ccc(Cl)cc2)CC1OC1CC(N)C(O)C(C)O1)C3=O,1
CCN(CC)CCC[C@H](C)Nc1cc(/C=C/c2ccc(Cl)cc2)nc2cc(N(C)C)ccc12,1
c1ccc2c(c1)nc1n2CCC1,0
ClC1c2ccccc2C2(c3ccccc3)OOC1(c1ccccc1)O2,1
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2Br)sc2c1CCC2,0
COc1ccc2c(CNCCCCO)cc3cc4c(cc3c2c1)OCO4,1
CCCOC(=O)Cc1ccc(OC)cc1,0
COc1ccc(N=c2cc[nH]c3cc(Cl)ccc23)cc1CN(CCCl)CCCl.Cl,1
CC(=O)Nc1cc(C)cc(C)c1,0
CCC(=O)OCC1OC(n2cnc3c(=S)[nH]c(N)nc32)C(OC(=O)CC)C1OC(=O)CC,1
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@@H](C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,1
CC(C)(Cl)[C@@H](Br)CC/C(CBr)=C(\Cl)CCl.CC(C)(Cl)[C@@H](Br)CC/C(CBr)=C(\Cl)CCl,1
Cc1cccc(NC(N)=O)c1,0
CCOC(=O)C1C[C@H]2C=C[C@@H]1C2,0
Nc1[nH]c(=O)[nH]c(=O)c1N=O,0
CC(C)(Cl)C1CCC(CC(Cl)(Cl)Cl)CC1,0
O=C(Nc1ccccc1)OC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1,0
Cc1cc(C)cc(OCC2CNC(=O)O2)c1,0
CCc1ccc(C2=C(O)C(=O)C(c3ccccc3)=C(O)C2=O)cc1,0
Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1,0
O=C1C=C(S(=O)(=O)O)C(=O)c2c1c(O)c1ccccc1c2O.[Na+],0
O=C1NC(=O)[C@]2(CCCC[C@H]2C2CCCCC2)N1,0
C=COC(=O)CCCCCCCC=CCCCCCCCC,0
NC(=O)CSc1nc(N)nc2[nH]cnc12,0
CN(C)CCOc1ccc2c(c1)C(=O)/C(=C\c1ncc([N+](=O)[O-])n1C)C2.O=S(=O)(O)O,1
O=C(SCCSCCCl)c1ccccc1,0
CC1=C(C(=O)N=C(N)C(Cl)(Cl)Cl)SCCO1,0
CC1=C2[C@H]3OC(=O)C(C)[C@@H]3CC[C@@]2(C)C=C(Br)C1=O,0
O=Cc1c(O)[nH]c2ccccc2c1=O,0
CC(=NNC(=S)N(C)C)c1ncc[nH]1,1
C=C1C(=O)[C@@]23C[C@@H]1CC[C@@H]2[C@@]12CO[C@@H]4OC[C@@](C)(CC[C@@H]1OC3=O)[C@H]42,1
CC(C)CNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
Cc1nc(N)nc2c1CCC(O)S2,1
CC1(C)COC(=S)N1,0
CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,1
NC(CCSCc1ccccc1)C(=O)O,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.ON(O)O,1
Cc1cn([C@]2(CF)O[C@H](CO)[C@@H]2C)c(=O)[nH]c1=O,0
CCOC(=O)c1cc[nH]c1CC(=O)NC,0
Cc1cc(N=C2CC(=O)C(=O)c3ccccc32)no1,1
CN(C)c1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1,1
O=C(CC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1,1
Nc1ccc2c(c1)Cc1cc(N)c(Br)cc1-2,0
Cn1c(=O)c2[nH]c(C3CC3)nc2n(C)c1=O,0
COc1ccc(C(=C(c2ccccc2)[N+](=O)[O-])c2ccc(OCCN3CCCC3)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
COc1ccc2c(c1)C(=O)c1c-2n(CCCNCCO)c(=O)c2ccccc12.Cl,1
CC(C)OC1CCCC(O)C1CC(=O)O,0
CN1C(=O)[C@@]23C[C@@]4([C@]56C[C@]78SS[C@](CO)(C(=O)N7[C@H]5Nc5ccccc56)N(C)C8=O)c5ccccc5N[C@H]4N2C(=O)[C@]1(CO)SS3,1
N#CC(C(=O)c1ccccc1)c1ccc(Cl)cc1,0
C[C@@H]1C[C@H]2O[C@H]2CC1C(=O)OC[C@H]1C[C@@H]2O[C@@H]2C[C@H]1C,0
COc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1,1
CC(=O)Nc1ncc([N+](=O)[O-])s1,0
O=C(O)C(F)(F)F.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
COc1ccc([C@@H](CN(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1.Cl,0
COC(=O)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1c(Cl)cccc1Cl.Cl,1
CCN(CC)CC(O)Cc1ccc(OC)cc1,0
N#CC1CCCCC1,0
Cc1ccc(NCc2ccccc2)cc1,0
Clc1ccc(C2=CS[C@H]3N=C(c4ccc(Cl)cc4)C=C(c4ccco4)N23)cc1,0
O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)c(Cl)c1,0
O=C(NNC1CCN(Cc2ccccc2)CC1)c1ccccc1,0
CCCCOP(OCCCC)OCCCC,0
O=C(c1cccc(O)c1O)c1cn(Cc2ccc(F)cc2)c2cccc(O)c12,1
O=c1cc[nH]cc1[N+](=O)[O-],0
Cc1ccccc1N1CCN([C@@H](C)C#N)CC1,0
Cl.OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1,1
COc1cc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)cc(OC)c1OC,1
Cc1cccc(F)c1C,0
N#CCc1nc(Cl)cc(Cl)n1,0
CC(=NNC(=S)N(C)C)c1ccccc1O,1
[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1,1
COc1cc(C=NNc2ccccc2)ccc1OC(=O)c1ccccc1,1
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,1
Cn1sc2ccccc2c1=S,1
Clc1cn2cc(-c3ccc(Cl)c(Cl)c3Cl)nc2s1,0
CCOC(=O)C(Cc1ccc2ccccc2c1)(Cc1ccc2ccccc2c1)C(C)=O,1
COc1ccccc1N1CCCCC1,0
COc1ccccc1N1CCCS/C1=N\c1ccccc1,0
COC(=O)Cc1[nH]cnc1C(=O)OC,0
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)CC(C)C)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
COc1ccc2c(c1)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2,1
O=[N+]([O-])c1c(F)cc(F)c([N+](=O)[O-])c1F,0
COc1cc2c3c(n(CCCn4cncn4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
COc1cc(C(=O)OCCCN2CCOCC2)cc(OC)c1OC,0
Cc1cccc(NC2CNC(=O)NC2=O)c1,0
CC(C)(C)OC(=O)n1c(-c2ccccc2F)cc(=O)c2cc3c(cc21)OCO3,1
CCOC(=O)OC(C#N)c1ccccc1,0
CCCCOC(=O)c1ccc(Cl)cc1,0
C=C1Cc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
CC(=NNC(=S)Nc1ccc(C)cc1)c1ccccn1,1
Cc1ccc(S(=O)(=O)n2ccnc2)cc1,0
COc1ccc2c(c1)O/C(=C/c1cccc(OCC(=O)c3ccccc3)c1)C2=O,0
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,0
N#CC(c1cc(Br)c(N=O)cc1Cl)c1cccc2ccccc12,1
CCS(=O)(=O)O.Cc1cc(NC(=O)NCCOc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2Cl)ccc1S(=O)(=O)F,1
CCCCCCCCCCCC1=NC(C)(C)CN1C(C)C,1
Cc1c(O)[nH]c2ncnn2c1=O,0
CCOC(=O)N1CCCC1,0
Cc1ccc(C(=O)N2C[C@H]2C)cc1,0
CCCCCC[C@H](C)Nc1nc2ccccc2c2occc12,1
Oc1cccc2cccnc12,1
CC1CCCCC1CO,0
C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](OC(C)=O)C/C(C)=C/CC/C(C)=C\CC[C@@]2(C)O,1
COc1cc(C=C2CCCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O,1
Nc1nc(=O)cc(S)[nH]1,0
O=C(O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1,0
[Br-].c1ccc(CC[n+]2ccccc2)cc1,0
CCn1c2ccccc2c2cc(/C=C(/C#N)C(N)=S)ccc21,1
Oc1ccc(CNCc2ccccc2)c2cccnc12,1
CCN(CC)CC(=O)CO,0
Cc1cnc2[nH]c(-c3ccc(Cl)cc3)cc(=O)c2c1,1
C[Sn+](C)C.O=C([O-])C(O)c1ccccc1,1
Cl.Nc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1,1
COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H]([C@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1)O2,1
COc1cc([C@H]2c3cc4c(cc3[C@H](NCc3ccc([N+](=O)[O-])cc3)[C@@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CCOc1ccccc1C=NN=C(NN=Cc1ccccc1OCC)NN=Cc1ccccc1OCC,1
O=c1[nH]cc(Cl)cc1Cl,0
O[C@@H](COc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1,0
Br.N=C(N)SCc1ccc(Cl)cc1,0
Cc1nc(N)nc(Cl)c1CCC1OCCO1,0
COc1ccc(C=NNC(N)=NO)c(O)c1.Cc1ccc(S(=O)(=O)O)cc1,1
[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1,1
CN(C)CCNC(=O)c1cccc2ccc(-c3cccnc3)nc12.Cl,1
Nc1nc(=O)n(C2CC(O)C(CO)O2)cc1F,1
COc1ccc(C2=CCCCCC2)c(OC)c1OC,0
Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)s1,0
CCOc1ccc([C@@H]2OCC[C@@H](C)O2)cc1OC,0
N#CC1C=Cc2c(ccc3ccccc23)N1C(=O)c1ccccc1,1
O=C(O)c1ccccc1-c1c2ccc(=O)c(I)c-2oc2c(I)c(O)ccc12,0
Nc1c(Cl)ncnc1NCCCCCCCCCCCCNc1ncnc(Cl)c1N,1
CCN(CC)CCSSCCN(CC)CC,0
CCCCCCC(C)NCCO,0
O=C(CNC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1,0
CN1C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C1.Cl,1
Cc1c2c(cc3c1[nH]c1ccccc13)C(c1ccc(Cl)cc1)=NCC2,1
CCN(CC)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1.Cl,1
Clc1ccc2c(c1)-c1ccccc1C1=NCCN12,1
Cc1c(C(C)(C(=O)O)c2c(C)n(C)c3ccccc23)c2ccccc2n1C,0
CC1=NCCN1CCNC(=O)c1ccc(C(=O)NCCN2CCN=C2C)cc1.Cl,0
Cn1c([N+](=O)[O-])cnc1COC(N)=O,0
CC(C)C(NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)C(=O)O,0
CC(C)C[C@@]1(C2CCCC2)NC(=O)NC1=O,0
O=C(c1ccccc1)c1cc2ccccc2oc1=O,0
Cn1c(N2CCCCC2)nc(-c2ccco2)c(C#N)c1=O,0
CCN(CC)CCCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,1
CCCn1c(=S)sc2c(NN)nc(C)nc21,0
Cc1ccc(CNc2ncnc3c2cnn3[C@@H]2CCCCO2)cc1,0
C(=Nc1ccccc1)c1ccc[nH]1,0
O=CNc1c(Cl)cc2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2,1
COc1cc[n+]([O-])cc1[N+](=O)[O-],0
C=CCCCCCCCCC(=O)OC1CCCC1,0
C=CCSC(CC)(CC)C(N)=O,0
CC(c1cc(Cl)ccc1O)c1cc(Cl)ccc1O,1
COc1ccc2nc3cc(Cl)ccc3c(NCCNCC(C)O)c2c1,1
CC1(C)CCC(C)(C)c2c1ccc(O)c2Cc1c(O)ccc2c1C(C)(C)CCC2(C)C,1
OC(CC(=NN1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F,0
Br.Brc1ccc2[nH]cc(C3CNC(c4c[nH]c5ccc(Br)cc45)CN3)c2c1,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)CC(C)(C)C)c3ccccc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
CCOC(=O)C(CCC(OCC)OCC)C(C)=O,0
CN(C)c1ccc(-n2nc3ccccc3n2)cc1,0
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@H](C)OC(=O)C=Cc1ccc(O)c(O)c1,1
COc1ccc(Nc2c3ccccc3nc3[nH]c4ccccc4c23)cc1,1
C=CCSS[C@@H]1N=CNc2[nH]cnc21,1
COc1ccc2nccc(C(N)=O)c2c1,0
Cc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,1
CO[C@H]1O[C@H](CNCCCl)[C@@H]2OC(C)(C)O[C@H]12.Cl,0
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.[Cl-].[H+],1
O=C1/C(=C\C=C\c2ccccc2)CCC/C1=C/C=C/c1ccccc1,0
O=C(C[C@@H](O)c1ccncc1)c1ccccc1O,0
Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,1
CCCCOP(=S)(OCCCC)SC1(SC)SSC=C1CC(C)(C)C,0
O=c1nc(Nc2cccc(Cl)c2)oc2cc(Cl)oc(=O)c12,1
Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,0
Cl.O=C1/C(=C\c2ccc(Cl)cc2)CNC/C1=C/c1ccc(Cl)cc1,1
CCOC(=O)c1c[nH]c2c([N+](=O)[O-])cc(OC)cc2c1=O,0
CCOP(=O)(Cc1c(Cl)c(Cl)c(CP(=O)(OCC)OCC)c(Cl)c1Cl)OCC,0
C#Cc1ccc([N+](=O)[O-])cc1,0
O=C1C=CC=c2c1c(O)c1c(NCCNCCO)ccc3c1c2nn3CCNCCO,1
CC(C)CCCC(C)C1CCC2C3CCC4CC(N(C)C)CCC4(C)C3CCC12C,0
CC(C)=CC(=O)c1[nH]c2ccccc2c1CC(=O)NCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1,1
CCCCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)N(CCCl)N=O)C(O)C1O,1
CC(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO,1
CC(C)NC(=O)c1ccc(C(C)C)cc1,0
CC(C)(N)Cc1ccccc1Cl.Cl,0
Nn1c(Sc2nc3ccccc3c(=O)n2N)nc2ccccc2c1=O,1
O=C1c2cc3c(cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCCl)OCO3,1
CCC[C@@]1(C(=O)OCC)CCOC1=O,0
CCN(CC)c1ccc(C=NNC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c(O)c1,1
O=C1C=C(c2ccccc2)C1(Cl)Cl,0
O=C1C=CC(=NOC(=O)c2ccccc2)C=C1,0
Nc1ncnc2c1ccn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@H]1O,1
CC(C)(O)Cc1ccccc1,0
Cc1cc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)no1,0
CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)[S+]([O-])CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2,1
O=[N+]([O-])c1ccc([As](=O)(O)O)cc1,0
N#Cc1ccc(-n2c3ccccc3c3ccc4c(c32)C(=O)C=CC4=O)cc1,1
CC(CCN(C)C)=NO.Cl,1
O=C(C1OC1c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2,1
CCCC(=O)OCC1OC(n2cnc3c(=S)[nH]c(N)nc32)C(OC(=O)CCC)C1OC(=O)CCC,1
O=[N+]([O-])/C=C/c1cc2ccc3ccccc3c2[nH]1,1
CCOC(=O)C(C(=O)OCC)c1nc2sc3cc(Cl)c(Cl)cc3n2c(=N)c1C#N,0
CC(=NNc1nc2ccccc2o1)c1cc2ccccc2cn1,1
COc1cccc(C=NNc2ccc([N+](=O)[O-])cn2)c1OC,0
CC(C)NC(=O)Nc1cccc(Cl)c1,0
COc1ccccc1C=Cc1cc(OC)c(OC)c(OC)c1,1
O=C(O)c1cc(S(=O)(=O)O)ccc1O,0
COC(=O)CCCCCCCCC(C)c1ccc(C(C)=O)cc1,0
CCCc1ccc(O)c(OC)c1,0
NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1,0
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@H]4O[C@H](CO)[C@H](OC)[C@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O,1
NC(=O)c1ccccc1C(N)=O,0
COc1ccc(/C=N/CC/N=C/c2ccc(OC)cc2)cc1,0
O=C(O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2,0
O=S(=O)(Nc1cccnc1)c1cccnc1,0
COC(=O)c1c(OC(C)=O)ccc2c1c1c(OC(C)=O)c3ccccc3c(OC(C)=O)c1n2Cc1ccccc1,1
COc1cccc2c1-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCCl)C2=O,1
CCOc1ccc(OCC)c(N)c1,0
CCCc1c(Cl)nc(Cl)nc1Cl,1
O=C1N=C(Cc2cccc([N+](=O)[O-])c2)C(=O)N1,0
COc1ccc2c(c1)C=CC(C#N)N2C(=O)c1ccccc1,1
CCn1c(O)c(C=Nc2ccccc2)sc1=NNc1nc(-c2ccc(O)c(O)c2)cs1,1
O=C1C2CCN(CC2)C1CN1CCOCC1,1
CC(C(O)c1ccc(Cl)cc1)N1CCCCC1,0
O=C(/C=C/c1ccccc1)c1c[nH]c2ccccc12,0
Cc1ncc(C(N)=O)c2c1OC(C)(C)OC2,0
CN(C)c1ncnc2c1cnn2C,0
CCCNC(C)C(=O)Nc1ccccc1C.[Cl-].[H+],0
CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc(C)n1,1
S=C(NCCc1ccccn1)NN=Cc1ccccn1,1
CCOC(=O)C1CN(CCc2ccccc2)CCC1=O.Cl,0
COc1cc(C2c3cc4c(c(OC5OC6COC(C)OC6C(O)C5O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O,1
Cc1nc2c(n1-c1ccc(Br)cc1)C(=O)c1ccccc1C2=O,1
CCCCOC(=O)C1C(C(=O)OCC)[C@H]2CC[C@@H]1O2,0
CC[C@@]1(C)N=C(N)Nc2nc3cc(C)c(C)cc3n21,0
COc1ccc2c(c1)/C(=C\c1c(Cl)nc3n1CCS3)C(=O)N2,1
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,0
CCCCN(CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,1
CC(=O)OCC1CSCC1COC(C)=O,0
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12,1
CC=c1cc2c(cc1O)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
C#C[C@@]1(O)CCC[C@@H](C)C1,0
O=c1c2cccnc2[nH]c2ccc3scnc3c12,1
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O,1
COc1ccc(CCNC(=O)c2c(C)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1,0
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CNc1ccccn1,0
C#C[C@]1(O)[C@H](O)[C@@H](n2ccc(N)nc2=O)O[C@@H]1CO[P@](=O)(O)OC[C@H]1O[C@H](n2ccc(NCCCCCCCCCCCCCCCCCC)nc2=O)[C@@H](O)[C@H]1O,1
O=[N+]([O-])c1[nH]cnc1C=Cc1ccccc1,0
C=c1cc(C)ccc1=c1cc(O)/c(=C\C(=O)c2ccc(Br)cc2)o1,1
Brc1ccc2ncc3ccccc3c2c1,0
CNc1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Br-],1
COc1cc(Br)c(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC,0
Clc1cn2cc(-c3cccs3)nc2s1,0
O=c1[nH]c(=O)c2[nH]c(=S)[nH]c2[nH]1,0
CCO[P@@](=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1,0
C#C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1N(C)C,0
Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(Cc3ccccc3)C(=O)OC2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(Cc4ccccc4)C(=O)OC3C)c1=N2,1
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.[Cl-].[H+],1
Cc1cc(-c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(C)c2)ccc1N1C(=O)CC2(CCCC2)C1=O,0
COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCCCC=CC2,1
Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cn1,0
COc1ccc(Cl)cc1/C=C/C=N/c1ccc(S(N)(=O)=O)cc1,0
O=[N+]([O-])c1cc(F)ccc1Nc1cc(F)cc(F)c1,0
Cc1nssc1=S,0
CC/C=C(\C)C1(CCC)C(=O)NC(=O)NC1=O,0
Cc1cccn2c(=S)[nH]nc12,0
c1ccc(NC2=NCCN2)nc1,0
O=S1(=O)OCCOS(=O)(=O)C1(Cl)Cl,0
COc1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1,0
CC1(C)CC[C@@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1,1
CCOC(=O)c1cc(N2CCCCC2)nc2ccccc12,0
Cc1cc(OCCO)cc(C)c1Cl,0
O=[N+]([O-])c1ccc(N=Nc2c(Cl)cc(O)cc2Cl)cc1,1
c1ccc(OCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
CN(C)CC(C)(C)C(C=Cc1ccccc1)=NNc1ccccc1.Cl,1
Cc1ccc(Cl)cc1N,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccc(Cl)cc1,1
CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(O)cc12.Cl,1
CCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1,0
Cn1c(=O)nc2n(-c3cccc(Br)c3)c3ccccc3nc-2c1=O,1
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCC(=O)c3ccc(Cl)cc3)cc1)CS2,0
Cc1cc(NC(=O)Nc2cc(Cl)ccc2C)no1,0
CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O,0
COc1ccc(C=C2CS(=O)(=O)CC(=Cc3ccc(OC)cc3)C2=O)cc1,1
CC(C)(C)C(=O)CC(=O)c1cccnc1,0
CC(=O)OCCC[C@@H](COC(C)=O)OC(C)=O,0
ClCCN1CCCCC1,0
CC1=NC(C)(C)C[C@H]2CC[C@H](O)[C@H]12,0
O=[P@](O)(Oc1ccccc1)c1ccccc1,0
CC(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0
Nc1ccc2c(=O)cc(-c3cccs3)[nH]c2n1,1
CC(=O)c1cc(C)[nH]c1C,0
CCOC(=O)CCC(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O,0
CC(CCc1ccccn1)C(=O)C(C)CCc1ccccn1,0
CN(C)C(=S)N(C)C,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
Brc1c(-c2ccncc2)nc2sccn12,0
CCC[C@@H]1CCCCN1CSCC,0
C=CCNC(=O)C(Cc1cccc([N+](=O)[O-])c1)=NC(=O)c1ccccc1,0
C=C=C(CC(CC(=C)Br)(C(=O)OC)C(=O)OC)S(=O)(=O)c1ccccc1,1
CNCCCn1c2ccccc2c2c3c(c(-c4ccsc4)cc21)C(=O)NC3=O,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C[n+]1ccccc1.[Cl-],1
Cc1cc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)c(O)c(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1.Cl,1
COc1ccc(-c2cc(-c3cccs3)n3c(C)nnc3c2C#N)cc1,0
CC(=O)N(C)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+],0
CC(=O)O.O=C(CCN1CCCC[C@H]1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCC[C@H]3CCO)cc1C2=O,1
CSC(=Nc1ccccc1)Nc1ccccc1,0
CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2,0
O=C1NC(=O)/C(=C/c2ccco2)S1,0
O=C(O)C1=C(C2CCCCC2)C(=O)c2ccccc21,0
CC(C)C(N=Cc1ccccc1[O-])C(=O)[O-].CCCC[Sn+2]CCCC,1
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCS(=O)(=O)O)C(=O)O)cc1,1
N=C(N)NN=C(c1ccccc1)c1ccc(F)cc1,1
COc1cc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O,1
O=C(Nc1ccccc1)Nc1ccc(Cl)c(Cl)c1,1
O=C1c2ccccc2C(=O)N1c1ncnc2[nH]cnc12,0
C[As](C)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O.Cl.c1ccncc1,1
CC(=O)OC1=C2C(CC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)c2c(c(O)n(Cc3ccccc3)c2O)C1,1
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(O)C(=N)Cc1ccccc1.[O-][Cl+3]([O-])([O-])O,1
CCN(CC)c1ccc(/C=c2\nc(-c3ccccc3)n3c2nc2ccccc23)cc1,1
CC(=O)N=C1C(=O)c2ccccc2C(=O)C1Nc1ccc(C)cc1,1
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O.[Cl-].[H+],0
C=C(C)C1CCC(C(=O)O)CC1,0
CN1CCC(=C2c3ccccc3C(O)c3ccccc32)CC1,0
CCN(CC)CCCCCCNc1cccc2cc(Br)cnc12,1
NCc1ccncc1,0
O=[N+]([O-])c1ccc(N=Nc2c(Cl)cc(O)cc2Cl)cc1,1
O=C(Oc1ccccc1C(=O)O)c1ccccc1O,0
O=C(c1ccccc1)c1ccc(F)cc1,0
CCN(CC)CCOc1c(OC)c(Br)cc2c(C)c(C(=O)OC)oc12,1
Cc1ccc(N=NN(C)N=Nc2ccc(C)cc2)cc1,0
CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OC)cc1,0
Cc1ccc(S(=O)(=O)NN=Cc2cccc[n+]2[O-])cc1,0
NC(=O)SCC(=O)Nc1ccccc1NC(=O)CSC(N)=O,0
C=CC(COC(=O)C(C)(C)OC(C)=O)c1ccc(OC(=O)C(C)C)c(OC)c1,1
CC(C)c1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1,1
CCOC(=O)Nc1nc2cc(Cn3cccc3)ccc2[nH]1,1
COC1C(=O)C2C(=O)O[C@@](C)(O)/C=C/C=C\C=C/C=C/[C@@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@H]1O,1
COc1ccc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC,1
CCOC(=O)c1ccccc1C(=O)OCC,0
CCOC(=O)CCCCCCCBr,0
COc1ccccc1NC(=O)c1sc2ncn(CCOc3ccccc3)c(=O)c2c1C,1
O=c1cccc(C#CC#C[C@H]2O[C@@H]2CO)o1,1
CCOC(=O)C(CCC(=O)OC)(CCC(=O)OC)C(=O)OCC,0
CCOC(=O)c1c(N2CCOCC2)[nH]c(=O)c(C=Nc2ccc(OC)cc2)c1O,0
Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccccc1,0
Nc1c(Cl)cc(S(N)(=O)=O)cc1S(N)(=O)=O,0
Cc1cc2c(cc1C)N[C@H](C)CC(=O)N2,0
O=C(O)CCCOc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3,1
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCc1ccccc1,1
Brc1ccc2c(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c[nH]c2c1,1
O=C(O)C=CC(=O)O,0
O=NN(Cc1cccnc1)Cc1cccnc1,0
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N5CCCC5)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(OCCN3CCOCC3)c1)[C@@H]2O,1
O=C(COc1cccc(/C=C2\COc3ccccc3C2=O)c1)c1ccccc1,1
O=C1C(=Cc2ccc(O)c(O)c2)CCC=C1Cc1ccc(O)c(O)c1,1
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCCC2)c1=O,1
CCC1(OC(=O)C(N)CCCCN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
O=C1c2cccc3cccc(c23)C(=O)N1CCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCCN1C(=O)c2cccc4cccc(c24)C1=O)C3=O,0
O[C@@H](c1ccccc1)c1nn(CN2CCOCC2)c(=S)n1-c1ccc(F)cc1,0
CC1CCCC1CC(N)C(=O)O,0
C(=NN1CCCCCC1)c1c[nH]c2ccccc12,0
COCCOCCOCCOCCOc1ccc2c(c1)C(=O)c1nc3ncccc3c(=O)n1-2,1
Cl.OCCN1CCN(c2ccccc2Cl)CC1,0
CC[C@]1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
CCCCC(CC)CO,0
O=CN(SSN(C=O)C1CCCCC1)C1CCCCC1,0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC.Cl,1
Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C,0
NC(=O)c1ccccc1,0
COC(=O)C(=O)CC(=O)c1cc2cc(OC)ccc2o1,0
O=C1C=C(OCC=C(Cl)Cl)C(=O)c2ccccc21,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccc(F)cc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
CN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1N,1
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=N/OCCN3CCCC3)CC[C@@H]12.Cl,1
CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@H]1O,0
COc1cc2c(cc1OC)CC(=NO)c1cc(OC)c(OC)cc1C=C2,1
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccccc1Cl,1
N#Cc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)c(N)n(CCCN3CCOCC3)c2nc1C#N,1
OCc1cn(Cc2cccc(Cl)c2)c2ccccc12,1
C[C@@H](Cc1ccccc1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O,0
O=C(NNC(=O)c1cccc2ccccc12)c1cccc(Cl)c1,0
Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1,0
Cc1ccc([S+]([O-])c2ccc(C)cc2)cc1,0
O=C(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc1O,0
O=c1c2sc3ccccc3c2[nH]c2c(-c3ccccc3)nnn12,0
O=C(NCCNC(=O)Nc1ccccc1S(=O)(=O)F)Nc1ccccc1S(=O)(=O)F,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)[C@@H]1OCc2ccccc21,1
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C,0
CC(=NNC(=S)N1C[C@H]2CC[C@H](CC2)C1)c1cnccn1,1
CCOCCCCC(C)(C)O,0
CCCCOC(=O)C(C)OCCC#N,0
COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O,1
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc3c(=O)n(CCN(C)C)c(=O)n4c5ccccc5c(=O)c2c34)c2c(=O)c3ccccc3[nH]c12,1
CC(=NNC(=S)NCCCCNC(=S)N/N=C(\C)c1ccccc1)c1ccccn1,1
CC(=CC1CCC(CN2CCCCC2)C1=O)c1ccc(CC(C)C)cc1.Cl,1
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1,1
CC(=O)OCC(=O)c1ccccc1,0
COc1cccc([C@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@H]2C)OCO4)c1OC,1
O=c1ccn([C@@H]2C[C@@H](O)[C@@H](O)[C@H](CO)O2)c(=O)[nH]1,0
NCc1ccccc1,0
Cl.Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,1
Clc1cccc2cnccc12,0
CC(Cc1ccccc1)=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,0
C=C(Cl)COC(=S)S,0
ClNc1nc(NCl)nc(NCl)n1,0
COc1cc2c(cc1OCc1ccccc1)N=CC1C[C@@H](F)CN1C2=O,1
ON=C1CCCCCCCC1,0
OC[C@H]1O[C@H](O)C[C@@H](O)[C@H]1O,0
N#CCCN(CCc1ccccc1)C(=O)C(Cl)Cl,0
C=C1C(=O)[C@]23[C@H](O)C[C@@H]4C(C)(C)CC[C@H](O)[C@@]4(C)[C@H]2C[C@@H](OC(C)=O)[C@H]1[C@H]3O,1
CCCC[Sn](Cl)(Cl)CCCC,1
CCC=C(C(=O)O)C(=O)O,0
Cn1cnc(C(N)=[SeH])c1N,1
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@H]7O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,1
COc1cc(C=Cc2ccc(SC)cc2)cc(OC)c1OC,1
COc1cccc2c1c(C(=O)c1ccco1)cn2Cc1ccc(F)cc1,0
O=C1C=C(c2c(O)ccc3ccccc23)c2ccccc2C1=O,1
COc1cc(Cn2c3c(c4c(C(=O)NCCN(C)C)c(O)ccc42)C(=O)c2ccccc2C3=O)cc(OC)c1,1
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccc(F)cc3)[nH]c(=O)c12,0
Cc1cc(C)c2c(ccc3ccccc32)n1,0
CCN(CC)CCNc1ccc(Cl)cc1,0
COC1=C(NCc2ccc3c(c2)OCO3)C(=O)C(OC)=C(NCc2ccc3c(c2)OCO3)C1=O,0
Cl[Bi]12(SC(N3CCSCC3)=[SH]1)SC(N1CCSCC1)=[SH]2,1
CC(=O)Oc1ccc(C=NNC(N)=S)nc1,1
[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.c1ccc(C[Sn+2]Cc2ccccc2)cc1,1
CNC(=O)NC[C@@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)N(C)OC,1
O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1,0
C/C(=C\c1ccc(Cl)c(Cl)c1)[N+](=O)[O-],1
C(#Cc1ccccc1C#Cc1ccccn1)c1ccc(OCCCCCCOc2ccc(C#Cc3ccccc3C#Cc3ccccn3)cc2)cc1,1
COc1ccc(C=NNC(=O)OC(C)(C)C)c(OC)c1OC,0
CCCCCCCCCCCCCC/C=C/C(CC(=O)O)C(=O)O,0
CN(C)CCN=C(O)c1cccc2nc3ccc4ccccc4c3nc12.Cl,1
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1onc(C)c1C,0
Nc1nc(N)nc(SCC(=O)O)n1.[Na+],0
COc1cc2c(cc1O)CCNC21CSC2c3c(OC(C)=O)c(C)c4c(c3C(COC1=O)N1C(C#N)C3Cc5cc(C)c(OC)c(O)c5C(N3)C21)OCO4,1
CCOc1ccccc1NC1=C(OC)C(=O)C(Nc2ccccc2OCC)=C(OC)C1=O,0
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1I,0
CCOC(=O)C1C(C(=O)OCC)[C@H]2CC[C@@H]1CC2,0
O=C(Nc1ccc(Cl)cc1)NN1CCCCCC1,0
CS(=O)(=O)OCC1NC(=O)C(COS(C)(=O)=O)NC1=O,0
C=CCN(CC=C)C(=O)C(C)O,0
CC1(C)[C@@H]2C[C@H]1[C@@H](Cc1cccc(C[C@H]3c4cc(-c5ccccn5)ncc4[C@H]4C[C@@H]3C4(C)C)c1)c1cc(-c3ccccn3)ncc12,1
CN1CCC2(c3cccc(O)c3)CC(=O)C(=Cc3ccccc3)C1C2.[O-][Cl+3]([O-])([O-])O,1
C[C@@H]1CCC[C@@](O)(C(C(=O)O)c2ccccc2)C1,0
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.O.O.O.O.O.[Cl-].[Cl-].[H+],0
CCN(CC)CCCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23,1
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1,1
O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])c3cccnc3c2O)c(O)c2ncccc12,1
Br.CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(O)cc3)nc12,1
O=C1NCCN1c1ccccc1,0
CC(=O)Oc1ccc(-n2c(O)c3c(c2O)C2CC(C(C)(C)C)CCC2c2c-3[nH]c3ccccc23)cc1,1
N#CSCN1C(=O)C=CC1=O,0
CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1cc1oc(=O)c(=O)n3cnc2c13,1
C=C1CC2(C[C@@H](c3ccccc3C)O[C@H](c3ccccc3C)C2)OC1=O,1
O=C1c2ccccc2C(=O)N1N(c1ccccc1)c1ccccc1,0
Oc1c(Cl)c(Cl)c(O)c2c1CCCC2,1
CC(C)(C)OC(=O)CN1C(=O)c2ccccc2C1=O,0
Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12,0
O=C1NC(=S)S/C1=C\c1ccc(N(CCCl)CCCl)cc1,0
c1ccc(CCc2ccncc2)cc1,0
O=C(c1ccccc1)c1ccc(O)c2ncccc12,1
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)O,1
Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1c(Cl)cccc1Cl,1
Cc1csc(N)n1,0
COC(=O)C1=C(C)N=C(C)C([N+](=O)[O-])C1c1cccc(NO)c1,1
CC(=O)N1c2ccccc2C2=NN=C(N(C)C)SC21,1
CN(C)C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1,1
Cc1cc(C(=O)NNC(C)Cc2ccccc2)no1,0
CNc1ccn([C@@H]2CCCO2)c(=O)n1,0
CC(=O)Oc1c(C)[nH]ccc1=O,0
COc1cccc([C@@H]2CC(=O)c3cc(N4CCCC4)ccc3N2)c1,1
CCCN[C@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl.Cl,0
CCN(CC)c1ccc([C@@H](O)C2=CC(=O)c3ccccc3C2=O)cc1,1
O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1c1cccc2ccccc12,1
C=CCOC(=O)C=Cc1ccccc1OC,0
COc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(C)cc4)ccc3C2=O)cc1OC,0
CCCc1cc(C(N)=S)ccn1,0
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)O,1
C#CC1(OCC(O)CO)CCCCC1,0
O=C(/C=C/c1ccccc1)c1c[nH]c2ccccc2c1=O,1
c1ccc2c(CN3CCC(C4CCN(Cc5cccc6ccccc56)CC4)CC3)cccc2c1,1
Cc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(C)c3nc12.Cl,1
CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1Cl,1
COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,1
Cn1c(=O)c2[nH]c(N3CCCCC3)nc2n(C)c1=O,0
ClCc1cccc(CCl)c1,0
Cc1c(CNc2ccc(Cl)c(C(=O)NC(CC(=O)O)C(=O)O)c2)ccc2nc(N)nc(N)c12,1
Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O,0
Cc1ccc2nc(-c3cccc(Cl)c3)oc(=O)c2c1,0
Oc1ccccc1-c1n[nH]c(-c2ccccc2O)n1,1
CN(C)Cc1cc(Cl)cc(Cl)c1O,0
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1,0
O=C1OC(OCC(Br)=C(Br)COC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl,1
Oc1cccc2cc3cccc(O)c3c(O)c12,1
Cc1nn(-c2nc(-c3ccccc3)c(C#N)c(=O)n2C)c(C)c1/N=N/c1ccc(S(N)(=O)=O)cc1,0
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCNCCO)c12,1
CCOC(=O)c1n[nH]n2c1nc(=O)c1sc3ccccc3c12,0
OC[C@@H]1OCO[C@H]2[C@H]1OCO[C@@H]2CO,0
CN(C)CC1CCC/C(=C/c2ccc(Cl)cc2)C1=O.Cl,1
COc1ccc(/C=C/c2cc(=O)cc(/C=C/c3ccc(OC)c(O)c3)o2)cc1O,1
Nc1ccc2c(c1)Cc1cc(Cl)c(Cl)cc1-2,1
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C,1
c1ccc(-c2cccc(-c3ccccn3)n2)nc1,1
Nc1ccc2c(Cl)cc(Cl)cc2c1,0
O=C(O)c1cc2ccccc2c2cc(Br)ccc12,0
COc1ccc(CC/N=C/c2ccc(Cl)cc2)cc1OC,0
CSc1nc2c(c(C)c(-c3ccccc3)n2CCCC(=O)O)c2nc(O)cn12,0
COc1ccc(N2C(=O)c3sc4nc5ccsc5c(=O)n4c3C2=O)c(OC)c1,0
CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.Cl,1
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(NCCN(C)C)c2c1,1
COc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(NS(C)(=O)=O)c3)C2)c1O,0
O=C(c1no[n+]([O-])c1C(=O)c1csc2ccccc12)c1csc2ccccc12,1
O=C(Cc1ccccc1Cl)c1ccccc1,0
S=C(N1CCCCCC1)N1CC1,0
CC(=O)NS(=O)(=O)NC(C)=O,0
O=C(Cc1ccccc1F)N=C1C(=O)c2ccccc2C(=O)C1Cl,1
CN(C)c1ccc(/C=N/Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1,1
CC(C)(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1,0
OCNCCNc1nc2ccccc2c2[nH]c3ccccc3c12,1
O=C(O)CNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
O=C(Nc1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-],0
CC(C)(C)OC(=O)N1CC(COS(C)(=O)=O)c2ccc(O)cc21,1
CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@@H](C(C)(C)C)N2,1
Oc1cc(Cl)c(O)n1-c1ccccc1,0
CCCC[Sn+2]CCCC.[O-]C[C@@H]([O-])COc1c(Cl)cc(Cl)cc1Cl,1
COc1cc2c(cc1I)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]2NC(C)=O,1
CC(C)(C)N1CSC(=S)N(Cc2ccco2)C1,1
O=c1cc(Cl)nc2ccccn12,0
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]12OC2C(N)=O,1
O=C1C=CC(=O)N1Cc1ccccn1,0
CC(C)c1ccc(C2OCCCO2)cc1,0
Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,1
C[C@@H](NNC(=S)N1CCCCCC1)c1cccnn1,1
Cc1c(CCO)c(=O)n2n1CCCC2,0
CCN(CC)CCNc1ccc2nnn3c4ccc([N+](=O)[O-])cc4c(=O)c1c23,1
CNc1ccccc1C#N,0
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccc(N=[N+]=[N-])cc1)CC2,1
Cc1cc(C)c(N)c(S(=O)(=O)O)c1,0
CC(=O)OC[C@H]1O[C@H](O[C@@H]2C[C@H]3C(C)(C)[C@H](OC(C)=O)CC[C@]3(C)[C@H]3CC[C@@H]4[C@]5(CC[C@@]4(C)[C@@]32C)O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]5C)[C@@H](O)[C@@H](O)[C@H]1O,1
CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O,0
CS(=O)(=O)CCN1C[C@@H]2CCC[C@@H](C2)C1,0
CN(C)CCC#N,0
C[C@H]1NC(=O)CO[C@H]1c1ccccc1,0
O=C1C(=NO)[C@H](c2ccccc2)Oc2ccccc21,0
Cc1ccc(C2NC(=O)c3ccccc3N2)c(C)c1,1
Sc1cc(Cl)c(Cl)cc1Cl,0
CC(=NNC(=S)N1CCCC1)c1nc2cccnc2[nH]1,1
CCOc1ccccc1C=CC(=O)CCC(=O)O,0
COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c31,1
c1cc(C2OCCO2)cs1,0
C1CC1C(=NN=C(C1CC1)C1CC1)C1CC1,0
O=C1C=Cc2noc3cccc1c23,1
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1,1
CC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
CC[C@@H](C)[C@@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)[C@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@H]1O,1
CC(=O)N1C(=O)c2cccc3cccc1c23,0
COc1ccc(CC(=NC(=O)c2ccccc2)C(=O)O)cc1OC,0
COC(=O)C1C(C(=O)OC)[C@@H]2C[C@H]1C[C@@H]2Br,0
OC(CNc1ccnc2cc(Cl)ccc12)CNC1CCCCC1,1
CC(=NNC(=S)NC1CCCCC1)c1nc2cccnc2[nH]1,1
O=C(O)CC(Br)C(=O)CBr,0
COc1ccc([C@@](O)(c2ccccc2)c2nccc3ccccc23)cc1,1
COC(=O)c1ccc(C)cc1CC1Cc2cccc(C)c2C1=O,1
CCCCn1cnc2c(=O)[nH]cnc21,0
CC12CC3CC(C)(C1)CC(N)(C3)C2,0
C=C=C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,1
Brc1ccc2c(-c3nc(-c4c[nH]c5ccc(Br)cc45)cs3)c[nH]c2c1,1
Cc1[nH]n(-c2nc(-c3ccco3)c(C#N)c(=O)n2C)c(=O)c1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O,0
O=S(=O)(Nc1ncccn1)c1ccc(Nc2nc(-c3ccncc3)cs2)cc1,0
CCN(CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)CC(C)(C)O.Cl,1
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3[nH]c4ccccc4c(=O)c23)c2c(=O)c3ccccc3[nH]c12,1
O=C(NCc1ccccc1)c1ccccc1C(=O)NCc1ccccc1,0
COC1(OC)C[C@H](C)[C@@]23O[C@]24c2cc(O)c5c(c2N[C@H]3C#CC=CC#C[C@]14O)C(=O)c1ccccc1C5=O,1
C[Si](C)(CN)CCN.Cl.Cl.Cl.Cl.[Pt+6],1
S=C(NCCc1ccccc1)Nc1ncccn1,0
CCOC(=O)CC(=O)c1ccccc1,0
Cc1nc2cc3ccccc3cc2s1,0
O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]2O[C@@H]21)c1ccccc1,0
N=C1NC[C@@H](c2ccccc2)O1,0
O=C1C(=Nc2ccccc2)C(Cl)C(=O)c2ccccc21,1
CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1,0
O=C1c2ccccc2C(=O)c2c1c(O)c1ccn(CCCCN3CCCCC3)c1c2O,1
CCc1nc2cc(Cl)ccc2c(=O)n1-c1c(CC(=O)O)cnn1C,0
Cc1c(CNc2ccc(Cl)c(C(=O)NC(CC(=O)O)C(=O)O)c2)ccc2nc(N)nc(N)c12,1
COc1ccc(C(=O)C=Cc2ccc(O)c(O)c2F)c(OC)c1,1
ClCC(CNCc1ccccc1)c1ccccc1,0
O=[N+]([O-])c1ccc(Sc2ccncn2)c([N+](=O)[O-])c1,1
CCc1onc(-c2ccc(OC)cc2)c1-c1ccccc1O,0
CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN(C)C,1
Cn1c2ccccc2n2c3ccccc3c(=O)c(C#N)c12,1
N#Cc1cccc(OCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)c1,1
O=C(O)c1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[nH]1,0
S=C(NN=CC=NNC(=S)N1CCCCC1)N1CCCCC1,1
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(C=O)cc3nc2-1,1
Oc1ccc2c[nH]nc2c1,0
CC1(C)C2C3CCC2C2C[SH]1CC23,0
O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1,1
S=C(Nc1ccccc1)Nc1ccccc1Cl,0
Cc1cc(C)c2ccc(C)c(N)c2n1,0
C[C@@H]1[C@@]2(CCC(C)(C)O2)O[C@@H]2C=C3[C@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@@]3(C)[C@]12O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@@]5(O[C@@](C)(CO)C[C@@H]5O)[C@@H](C)[C@@]4(O)[C@]3(C)[C@@H](O)C[C@@H]2[C@]1(C)C7,1
C#C[C@@]1(N(C)C)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,0
FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1,0
Br.CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(C=CC(=O)C(C)(C)CN(CC)CC)cc1,1
COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCC(C)O)c2c1,1
CCCCC[C@H]1C(C)=CC(C)=C(C)[C@@]1(C)CN(C)C,0
O=CNc1ccc(I)cc1,0
COc1cc(NS(=O)(=O)c2ccc(NC(C)c3ccc4cccnc4c3O)cc2)nc(OC)n1,0
COc1ccc2cc(CN3CCC(C4CCN(Cc5ccc6cc(OC)ccc6c5)CC4)CC3)ccc2c1.Cl,1
CCOc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1,1
Cc1[nH]n2c(=O)ncnc2c1Cl,0
Oc1cccc(CN2CCOCC2)c1O,0
CC(=O)C1CCCC1C,0
COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
CCN=C1C(=O)c2ccccc2C(=O)C1NC(=O)c1cc(OC)cc(OC)c1,1
Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12.Cl,1
COc1ccc(NC(=S)N=Nc2c(O)[nH]c3c(Cl)cc(Cl)cc23)cc1,1
O=C(Nc1cccc([N+](=O)[O-])c1)N(c1ccccc1)c1ccccc1,0
COc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)Nc3nccs3)cc1)C2=O,0
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5cccc(OCCN6CCOCC6)c5)[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1,1
O=[N+]([O-])c1ccc2c(c1)CCN2,0
O=C(NCCO)c1ccc(C(=O)NCCO)cc1,0
O=C(OCCSCCOC(=O)C1CC=CCC1)C1CC=CCC1,0
C=c1nc2sc(C)cn2c1=Cc1c(O)n(C)c2ccc(Cl)cc12,1
O=C1C(=Cc2ccc(O)c(CN3CCCCC3)c2)CCC/C1=C\c1ccccc1,1
CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl,1
CC(C)CN1CC(C)C(=O)NC1=S,0
CCOc1ccccc1C(=O)N(CC)CC,0
C[C@@H]1CCO[C@@H](c2ccc(Cl)cc2Cl)O1,0
OC[C@@H](O)[C@H](O)[C@@H](O)C(C=NNc1ncnc2c(Br)cc(Br)cc12)=NNc1ncnc2c(Br)cc(Br)cc12,1
O=C1C=CC(=O)c2c1c(O)c1ccncc1c2O,1
NC1=Nc2cc(Cl)ccc2Sc2nc3ccccc3n21,1
Cc1cc(C)c(CCN(C)C)c(C)c1,0
Cc1ccc(C(CC(=O)O)CC(=O)O)c(O)c1,0
CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1nccs1,1
O=C(CBr)OCCCl,0
COc1ccc(C(=S)N2CCN(c3cccc(C)c3)CC2)cc1OC,1
CCOC(=O)Nc1c(Cl)n(C)c(=O)n(C)c1=O,0
N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O,1
O=C1c2ccccc2C(=O)c2c(OC[C@H]3CO3)ccc(OC[C@@H]3CO3)c21,1
C1CNCCN1.Cc1cc(O)c(C(C)C)cc1S(=O)(=O)O,0
O=C(OCc1ccccc1)c1ccc(O)cc1,0
Cc1cc(C)cc(N2C(=O)C=CC2=O)c1,0
O=C1C=C(Cl)C(=O)C(Cl)=C1,0
Nc1cc(N)c2nc(-c3ccccc3)c(NCCc3ccc(Cl)c(Cl)c3)nc2c1,1
CCCCCCCCCCCCCCCCNc1nc(=O)n([C@H]2C[C@H](O)[C@H](CO[P@](=O)(O)O[C@H]3C[C@H](n4cc(F)c(=O)[nH]c4=O)O[C@H]3CO)O2)cc1F,1
Nc1ccccc1C(=O)OCCc1ccccc1,0
O=C(Nc1ccccc1)n1cc(-c2ccccn2)c(N2CCOCC2)n1,1
CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1,0
Cn1cc2c(c1-c1ccccc1)CCc1cncnc1-2,0
O=c1[nH]c2ccccc2nc1CBr,1
Cc1cc(=O)[nH]c(NN2C(Cl)C(=O)C2c2cccc(O)c2)n1,1
C[C@H]1CC[C@@](CC(=O)O)(C(=O)O)CC1,0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC=C(C)CCc1cc(O)ccc1O)CO,1
O=C(O)COc1ccc(Cl)cc1CC(Cl)CCl,0
CCN(CCCl)CCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,1
Nc1c(I)cc(I)cc1I,0
CC(=O)OC1=CCCCC1,0
CC(=O)Nc1cccc(O)c1,0
C#CC(CCC)NCCCC,0
O=C(NN=Cc1ccc2c(c1)CCC2)c1cccc(O)c1,0
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(=Nc3ccc(Cl)cc3)C3C(=O)N(c4ccccc4)C(=O)[C@]132,1
Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0
CCCCC[C@@H]1CCCCN1C(=O)OCCCC,0
Cc1cc(=O)n(Cc2ccco2)c(=S)[nH]1,0
CCN(CC)C(=S)NN=Cc1cc(OC)ccc1O,1
Cn1c(N)c(N)c(=O)n(C)c1=O,0
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,1
Nc1nc(N)c2cc(Sc3ccc4nc(N)nc(N)c4c3)ccc2n1,1
CSc1ncnc2ncn(C)c12,0
CC(=O)c1ccc(NCc2nnc3n(Cc4ccccc4)c(=O)c4c5c(sc4n23)CCCC5)cc1,0
NCCSC(C[N+](=O)[O-])c1ccccc1Cl,1
COc1ccc(-c2nc(-c3ccc(Cl)cc3)cn3c2nc2ccccc23)cc1,0
CCC[C@H]1CC[C@](O)([C@](C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)N3NCCCC3C(=O)N3NC[C@H](O)CC3C(=O)NC(C)C(=O)O[C@H]2C(C)C)O[C@@H]1CC,1
Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccccc1O)SC(=N)N2,1
CCCC[Sn+](CCCC)CCCC.O=C([O-])c1ccc(Cl)cc1Cl,1
O=C1NC(=O)[C@@]2(CCc3ccccc32)N1,0
CN(C)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,1
CC1=NC(C)=C(C(=O)Nc2ccccc2C)C(c2ccc(C3C(C(=O)Nc4ccccc4C)=C(C)N=C(C)C3C(=O)Nc3ccccc3C)cc2)C1C(=O)Nc1ccccc1C,1
COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O.[Cl-],1
O=c1[nH]c2cccc(Cl)c2c2ccccc12,0
CCOC(=O)/C(C#N)=C/c1cccc(Br)c1,0
COc1cc2c(cc1C)=NC(=O)C=2Cc1c(Cl)[nH]c2ccccc12,1
CN(C)CCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
C[C@@H]1C[C@@H]([O-])CC(C)(C)C1.C[C@@H]1C[C@H]([O-])CC(C)(C)C1.C[C@H]1C[C@@H]([O-])CC(C)(C)C1.C[C@H]1C[C@H]([O-])CC(C)(C)C1.[Ti+4],0
C=CCC1(C(=O)OCC)CCCCC1=O,0
COc1ccc(/N=C/N(C)C)c(C)c1,1
Cn1ncc(CC(=O)O)c1-n1nnc2cc(Cl)ccc2c1=O,0
CC(C)OC(=O)Nc1cccc([N+](=O)[O-])c1,0
CCOC(=O)C1=CC(=O)CC(C)(C)O1,0
COc1ccc2c(c1)CCCN2c1c2ccccc2nc2ccccc12,1
CCN(CC)Cc1cc(C(C)(C)C)cc(N2CCOCC2)c1O,0
Nc1nc(Cl)cc(NCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1,1
Cc1cccc(-c2nc3c(C(=O)NCCN(C)C)cccc3[nH]2)c1.Cl,1
Cc1ccc(-c2c3c(nc4ncn5ncnc5c24)[C@@H](C)CCC3)cc1,0
CC(=O)OC(C)c1cccc(C#N)c1,0
Br.CCCCCC(CN1CCOCC1)C(=O)/C=C/c1ccccc1,1
CC(=O)OC1C=CCc2c(O)oc(O)c21,0
Oc1ccc(C(O)(c2ccccc2)c2ccccc2)c2ccccc12,1
COc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,0
C(=Nn1cnnc1)c1ccc2c(c1)CCC2,0
CCOC(=O)C1OC1(c1ccccc1)c1ccccc1,0
O=C(CI)Nc1ccc2[nH]c(=O)cc(C(=O)O)c2c1,0
CC(C)(C)OC(=O)C1=C2CC(=O)C=CC2(C)N(Cc2ccccc2)C1=N,1
CN1CC[C@@H](CC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)C1.O=C(O)/C=C\C(=O)O,0
CC(=O)C=C(CC(C)C)OC(=O)c1ccccc1,0
CC(C)Cn1cnc2c3ccccc3nc(NCn3nc(-c4cc(Cl)cc(Cl)c4Cl)n(/N=C/c4ccc(F)cc4)c3=S)c21,0
C=CCN=C(N)SCc1ccccc1,0
CCOC(=O)Cc1csc2nc(-c3ccccc3)nn12,0
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1,0
CC(=NNc1nc2cccnc2s1)c1ccccn1,1
CN(C)COC(=S)SP(=O)(Oc1ccccc1)SC(=S)OCN(C)C,0
NC(=S)N1N=C2c3ccccc3CCC2C1c1ccccc1,1
CC1CNCCN1,0
Cn1c(N)c(N=O)c(=O)[nH]c1=O,0
CC(C)Cc1csc(=S)[nH]1,0
Nc1ncnc(N)c1NC(=O)c1ccccc1,0
CCNc1ncnc2c1cnn2[C@@H]1CCCCO1,0
O=c1[nH]cc(NCc2ccccc2)c(=O)[nH]1,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(C)C)c2c1,1
OC1CN=C(C(c2ccccc2)c2ccccc2)NC1,0
CCCC1(C=NNC(N)=O)NC(=O)NC1=O,0
CC(=O)Oc1cccc2c(O)c3c(c(O)c12)CC=C[C@H]3OC(C)=O,0
O=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccccc1,0
CCCCCc1c(Cl)nc(Cl)nc1Cl,1
COc1cc([C@H]2c3cc4c(cc3[C@H](NC(=O)c3cccs3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,0
O=S(=O)(O)c1ccc(-c2nc3ccccc3[nH]2)cc1,0
O=C(Nc1cccnc1)c1cccc([N+](=O)[O-])c1,0
COc1ccccc1NC1Oc2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3,1
COc1ccc2ccccc2c1,0
Cc1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1,1
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C/c1cccc([N+](=O)[O-])c1,0
COc1cccc(C)c1OC,0
CCCCCCNC(=O)N=CC(C#N)C(N)=O,0
CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1,1
O=C1O[C@@H](c2cc(Br)c(O)c(Br)c2)c2ccccc21,0
CCCCOc1ccc(N=C(N)Nc2ccc(Cl)cc2)cc1,1
CCOc1ccc2sc(NS(=O)(=O)c3ccc(N)cc3)nc2c1,0
CC1(C)CN(Cc2ccccc2)CCN1Cc1ccccc1,0
COc1ccc(COC=O)cc1,0
CCN(CC)CCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12,1
CCOc1c(C#N)c2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,1
CCOc1c(Br)cc(Br)cc1C=C(C#N)C#N,1
CCN(CC)CCSc1cc(C)c2ccc(N)nc2n1,0
Clc1ccc2c(NCCNC3CCCCC3)ccnc2c1,1
CN(C)c1ccc(C(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1,1
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2NCCCC[C@]12C,1
Cc1ccc(N)c(C(=O)Nc2cc(C)no2)c1,0
O=S(=O)(CS(=O)(=O)c1ccccc1Br)c1ccccc1Br,0
Fc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1F,0
COC(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)N(C(=O)c1cc2c5c(ccc2[nH]1)N(C(N)=O)CC5)CC4)CC3,1
O=C1CCC(NC(=O)OCc2ccccc2)C(=O)O1,0
CC1=C(C(N)=O)S(=O)(=O)c2ccccc21,0
CC(C)C[C@H]1CCC[C@@]12NC(=O)NC2=O,0
COc1ccc([C@@H](O)c2ccccc2[C@@H](O)c2ccc(OC)cc2)cc1,0
O=C([O-])Cc1ccccc1.[Na+],0
COc1cc(C2c3cc4c(cc3C(NC3CCN(Cc5ccccc5)CC3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CCCCNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
Cl.Nc1c(O)cccc1O,0
CC(C)C(N)C(=O)Nc1nncs1.Cl,0
CN(C)CCNC(=O)c1cccc2c1nc(-c1ccncc1)c1ccccc12.Cl,1
CC(=O)Nc1ccc(C=NNC(N)=S)cc1,0
Cc1cc(=O)[nH]c(NN=CC=Cc2ccccc2)n1,0
CCCC[Sn+2]CCCC.O=C([O-])c1c(F)cccc1F.O=C([O-])c1c(F)cccc1F,1
CCOC(=O)CCC(=O)c1c2cccc(O)c2c(O)c2c(O)cccc12,1
O=C1C(=O)C(CC=C(Cl)Cl)C(=O)c2ccccc21,1
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@@H]2COCC(=O)O)cc1,0
O=S(=O)(O)c1cc(O)c2ccc(Nc3ccccc3)cc2c1,0
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0
Oc1c(Cl)ccc2cccnc12,1
Cc1nn(Cc2ccccc2)c(C)c1[C@]1(O)C[C@@H](CSC#N)OC1=O,0
N#CC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1,0
CN(C)c1ccc(/C=C/c2cnccn2)cc1,0
Cc1ccc2c(ccc(CC(=S)[S-])[n+]2C)c1,0
Cn1c(O)c(N=Nc2ccc([N+](=O)[O-])cc2)sc1=S,1
OCCNCc1ccccc1,0
CCN(CC)C1CCC(N)CC1,0
CCOC(=O)C1C(C)C(C(=O)OCC)[C@@H](C)N[C@@H]1C,0
CC(=O)c1ccc(F)cc1,0
CC1=C(CCC(C)NCc2ccc(OCCCN3CCCCC3)cc2)C(C)(C)CCC1.O=C(O)C(=O)O,1
COC(=O)Cn1ccnc1[N+](=O)[O-],0
CC(=O)Nc1ccc(C=Cc2ccc(N=C=S)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,0
C[C@@H]1CN(CCN2C[C@@H](C)N(C=O)C[C@H]2C)[C@H](C)CN1C=O,0
O=C(O)c1ccc(Cl)cc1[N+](=O)[O-],0
S=c1[nH]c2ccccc2[nH]c1=S,0
Cc1cccc(C)c1NC(=O)C(C)C,0
N#Cc1cnn(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)c1N,1
CC(C)(c1ccccc1)c1ccc(N)cc1,0
O=c1[nH]c(=S)[nH]cc1Sc1ccc(Cl)cc1,0
CC(C)n1c(/C=C/[C@@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,1
COc1ccc(-c2cc(=O)c3ccc4c(O)cccc4c3o2)cc1,0
CN=C1CN(O)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1,0
COc1ccc([N+](=O)[O-])cn1,0
CC1=C([Se]CC(OC(=O)CC[Se]c2ccccc2)C(=O)NC(C)(C)C)C(=O)c2ccccc2C1=O,1
CC1CCN(N=Nc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1,0
O=C1NCCOc2ccccc21,0
Cc1cc(O)c(N=Nc2ccc(C(=O)O)cc2)cc1C,0
O=CN1CCN(C=O)[C@H](O)[C@H]1O,0
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2[C@H]3N2C)C1=O,1
Cc1cccc(NC(=S)Nc2cccc(C)n2)n1,0
O=c1c(/C=C\c2ccco2)nnc2sc(Nc3ccccc3)nn12,0
CC(=NNc1nc(=O)c(C=Cc2ccco2)n[nH]1)C(=O)O,0
O=[N+]([O-])c1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2,1
CCNc1cccc(C)c1,0
CC[C@]1(O)C[C@@H](O[C@@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](OC4OC(C)C(=O)CC4=N)[C@@H](C)O3)[C@@H](C)O2)C2=C(C(=O)c3c(c(O)c4c(O)cccc4c3O)C2=O)C1C(=O)OC,1
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,1
O[C@H](COc1ccccc1)CN1CCN(c2ccccc2)CC1,0
COc1ccc2c(c1)CN(C(C)C1CCC3C4CCC5CC(O)CCC5(C)C4CCC31C)CO2,1
O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1[C@H]1O[C@H](c2ccccc2)OC[C@@H]1O,0
CN(C)CCN(Cc1ccco1)c1ccccn1.O=C(O)C=CC(=O)O,0
Cc1cc(N(CCC#N)CCC#N)ccc1C(Sc1ccccc1)=C(NC(=O)C=Cc1ccccc1)C(=O)Sc1ccccc1,1
CC(C(=O)C(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1,1
C=CC(=O)NC(C)(C)C,0
O=c1[nH]c(=O)c2ccccc2o1,0
ClCc1cccc(Cn2cnc3nc(Cl)nc(Cl)c32)c1,1
CS(=O)(=O)O.Cc1[nH]c2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(=O)c1C,1
O=C(C=Cc1ccccc1)Oc1cccc2cccnc12,1
NNc1nnc(-c2ccccc2)nc1Cc1ccccc1,1
COc1ccc(/C(Cl)=C(\C=O)c2ccc(F)cc2)cc1,1
COc1c(Br)c(Br)c(Br)c(OC)c1OC,0
O=C(C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C(Br)C(=O)c1ccccc1,1
CN(C)c1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1,1
CC(=O)Nc1ccc(OC(C)(C)C)cc1,0
C[C@H](C(C(=O)N1CCCCC1)N1CCCCC1)N1CCCCC1,0
COc1ccc2nc3ccccc3c(NCCCCN(CCCl)CCCl)c2c1.Cl,1
CC(=O)COc1ccccc1[N+](=O)[O-],0
O=c1c2ccccc2nc(NN=Cc2ccccc2O)n1-c1ccccc1,1
O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl,1
NC(=O)CC(N)C(=O)O.O,0
O=c1[nH][nH]c(=O)c2nc3ccccc3nc12,0
CCOP(=O)(NCc1ccco1)OCC,0
COc1ccc(/C=C2/CSC/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC,1
C=C1C[C@](Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,1
S=P(NC1CCCCC1)(N1CC1)N1CC1,0
COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CNCCNCCO)CC2)nc2ccccc12,1
CC(=O)CC(=O)Nc1nccs1,0
Cc1c(Br)c(=O)oc2c(Br)c(O)c(Br)cc12,0
O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccccc1,0
CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc([N+](=O)[O-])c2)c1,1
O=C1C(=O)c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21,1
COC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1,0
Oc1c2c(c(O)c3ccccc13)C1(N=N2)c2ccccc2Oc2ccccc21,1
O=[N+]([O-])c1cncn1CCN1CCOCC1,0
Oc1c(Cl)cccc1-c1ccccc1,0
Cc1cc(C)n(-c2nc(=O)c3ccccc3[nH]2)n1,1
C/C=C1\[C@H](OS(=O)(=O)O)C[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+],0
Oc1c2c(c(O)n1-c1nccs1)[C@H]1CC[C@@H]2O1,0
O=C1c2cccc3cccc(c23)C(=O)N1CCO,0
N#CC1C(=N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)cc1,1
O=C1c2ccccc2C(=O)c2c1oc1cc(O)c(Cl)cc21,1
CC(Cc1ccccc1)NC(N)=O,0
O=C(O)c1c(Cl)cccc1Nc1ccccc1,0
CC(=O)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-],0
Cc1[nH]c2ccccc2c1C=C(C#N)C#N,0
O=C1C=C(Br)Cc2ccccc2-c2ccccc21,1
C1=CN2c3c4c(ccc3=C1)=CC=CN4[La]213(N2C=CC=c4ccc5c(c42)N1C=CC=5)N1C=CC=c2ccc4c(c21)N3C=CC=4.N#CS,1
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)C23CCC(C(=O)Nc4cc(CN(C)C)cc(N(CC)CCCl)c4)(CC2)CC3)c1.Cl,1
Cn1cc(Cc2ccccc2)c(=O)c(Cc2ccccc2)c1,0
O=C(/C=C/c1cccc(O)c1)c1cccc(-n2cc(-c3ccccc3)[nH]c2=O)c1,1
OCC(O)C(O)C(O)C(O)CO,0
CCCC(CCC)(C[N+](=O)[O-])C[N+](=O)[O-],0
C=C1CC(C)(COc2ccc3ccc(=O)oc3c2)OC1=O,1
N#CCc1ccc([N+](=O)[O-])cc1,0
CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](COS(=O)(=O)c2ccc(C)cc2)O1,1
CSC[S@+]([O-])C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,1
COC(=O)c1cnc(N)s1,0
COc1ccc(C(=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)O)cc1,0
COc1cc([C@H]2SCC(=O)N2NC(=O)c2ccc(C)nc2)cc(OC)c1OC,0
CCCCSc1cc(C)nc(N)n1,0
O=C(CN1C(=O)c2ccccc2C1=O)NCC(=O)Nc1ccccc1,0
c1ccc(NCC[C@H]2OCC3(CO[C@H](CCNc4ccccc4)OC3)CO2)cc1,0
Cc1c2ccccc2c(CSC(=N)N)c2ccccc12,1
Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1,1
O=c1c([N+](=O)[O-])c(O)c(=O)c(=[N+]([O-])O)c1=O,0
COc1cccc(-c2cc(=O)c3cc(N)ccc3[nH]2)c1,1
Cc1cccc(NC(=O)c2ccccc2Cl)c1,0
CNC(=O)OCn1cnc(Cl)c1Cl,0
C=CC[Si](CC=C)(OCC)OCC,0
CC(=O)c1ccc2c3c1[C@H]1O[C@H]1c1cccc(c1-3)[C@@H]1O[C@H]21,1
Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,1
Cc1c(O)cnc2nn(-c3ccccc3)c(=N)n12,0
O=c1cc(-c2cccc(OC(F)(F)F)c2)[nH]c2ccc(N3CCCC3)cc12,1
CC1(C)[C@@H]2C[C@H]1c1cnc(-c3ccccn3)cc1[C@H]2CCCCC[C@H]1c2cc(-c3ccccn3)ncc2[C@@H]2C[C@H]1C2(C)C,1
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H]([S+]([O-])CC(N)C(=O)O)CC(=O)O1,1
CCCCCCCCCCCCCCCC(=O)P(=O)(OCC)OCC,0
CN1CCN(CCCCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1,1
COc1cc(/C=C/c2sc3ccccc3[n+]2C)ccc1N(C)C.[I-],1
N#CCCOC1C(OCCC#N)C(OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N,0
CCCc1cc(=O)n2c(C(=O)Nc3ccc(Cl)cc3C)c(C(=O)Nc3ccc(F)cc3)sc2n1,1
CCCN(CC)c1ncnc2[nH]ncc12,0
CCCn1c(=S)sc2c(NNC(C)=O)nc(C)nc21,0
COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(O)[C@@H]2C)OCO4)c1O,1
O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O,0
O=[N+]([O-])c1ccc(/C=N/n2c(CO)nc3ccccc32)o1,1
CCOC(=O)COc1ccc(C=O)cc1,0
ClCc1ccccc1Cn1cnc2ncnc(Cl)c21,1
COc1cc(OC)c(OC)cc1C=Cc1ccnc2ccccc12,1
CCOc1ccccc1/C=N/N=C(N)N/N=C/c1ccccc1OCC,1
Cc1cccc(OC[C@@H](O)CN2CC2)c1,0
ClCCn1cnc2c(SCc3ccccc3Cl)ncnc21,1
Nc1nc(O)c(CC(=O)O)s1,0
O=c1[nH]c2c(N/N=C/c3ccc([N+](=O)[O-])o3)c([N+](=O)[O-])c(N/N=C/c3ccc([N+](=O)[O-])o3)c([N+](=O)[O-])c2[nH]1,1
CC[Pb+](CC)CC.O=C([O-])COc1ccccc1,1
Cc1ccc(O)c(N)c1,0
O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(-c3ccncc3)cs2)cc1,0
Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1,1
CC(Br)C(=O)C(c1ccccc1)(c1ccccc1)C(C)CN1CCCCCC1,0
CCN(CC)CCOc1ccc(/C=C2\C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC,1
Clc1ccc2c(c1)N(C1CCCN(Cc3ccccc3)C1)c1ccccc1S2.O=C(O)C=CC(=O)O,1
CCC(=O)OCc1cccc(OC)c1,0
O=S(=O)(CC#CCS(=O)(=O)c1ccccc1)c1ccccc1,1
CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32,1
c1cc(CCN2CCCC2)ccn1,0
O=C1/C(=C\c2ccco2)CCC/C1=C/c1ccco1,0
O=C1NC2C(=O)c3c(Br)sc(Br)c3[C@H]2O1,1
O=C1c2ccccc2C(=O)N1CCS,0
[Ca+2].[Cl-].[Cl-],0
O=C(O)c1ccc(F)c([N+](=O)[O-])c1,0
COc1cc(NCCCCCCN)c2ncccc2c1OC,0
COc1ccc2[nH]c3c(C)c4c(c(C)c3c2c1)CN(C)C=C4,1
COc1ccc(-c2csc(-c3c(O)cn(CCCN4CCCC4=O)c3N)n2)cc1OC,0
CN1CC(=Cc2ccccc2[N+](=O)[O-])C(=O)C(=Cc2ccccc2[N+](=O)[O-])C1,1
CCS(=O)(=O)O.OC1CC2CCC(C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21,1
C1=CN2C[n+]3ccc4ccccc4c3N=C2c2ccccc21.[I-],1
CSc1ccccc1-n1c(O)csc1=S,0
Cn1cnc([N+](=O)[O-])c1Sc1nc[nH]n1,0
O=[N+]([O-])c1cc([As](=O)(O)c2ccc(O)c([N+](=O)[O-])c2)ccc1O,0
Cl.O=C(OCCNC1CCCCC1)c1ccccc1O,0
O=C(O)/C=C\C(=O)O.O=C1NCN(c2ccccc2)C12CCN(CCCN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)CC2,1
CC=CC(=O)N(CC)c1ccccc1,0
COC(=O)C1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O[C@@H]8OC[C@@H](O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,1
Br.C[C@@H](CN(C)C)/C(=N\Nc1ccccc1)c1ccccc1,1
COc1cccc(N[P@]2(=O)OC[C@](C)([N+](=O)[O-])CO2)c1,0
CC(C)O[C@H]1O[C@H](OC(C)C)[C@@H](OC(C)C)O[C@@H]1OC(C)C,0
CCOC(=O)C(C#N)=Cc1ccc(Cl)c(Cl)c1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(C)=NO)C[C@@H]1O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1)C3=O.Cl,1
CCCC[Sn+2]CCCC.COc1cc(C(=O)[O-])cc(OC)c1OC.COc1cc(C(=O)[O-])cc(OC)c1OC,1
O=C(O)C(C(=O)C(=O)C(C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,1
CC(C)=c1c(O)c(O)c2coc3c(-c4c(C)cc5c(=C(C)C)c(O)c(O)c6coc4c65)c(C)cc1c23,1
Clc1nc(Cl)nc(Cl)n1,0
N=c1c2ccccc2nc2n1CCCCCCC2,0
O=C1C=C(c2ccccc2)C(c2ccccc2)C1,0
C(CCCC1=NCCO1)CCCC1=NCCO1,0
CC(=O)C1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]12C,0
COc1cc(-c2cc(-c3cccs3)c(C#N)c(N3CCOCC3)n2)cc(OC)c1OC,1
NC(=O)c1ccc(Cl)c2ccccc12,0
CCNC(=O)OCCc1c2ccccc2nc2ccccc12.Cl,0
CCCCCCCCCCN1CCC(N2CCCCC2)CC1.Cl,1
CC(=O)[C@]1(C)C(=O)N(c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1,0
Cc1cccc(N2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)c1,0
COc1cc(/C=C/C(=O)c2ccc(SC)cc2)cc(OC)c1OC,1
CCN(CC)CCC(=O)O[C@@H]1C(C)=CC(C)C(=O)C[C@H]([C@@H](C)C[C@H]2CC[C@H](O)[C@@H](OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)[C@@]2(O)O[C@H](CC[C@@H]2C)C[C@@H](OC)/C(C)=C\C=C\C=C\[C@H](C)CC(C)C(=O)C1OC.Cl,1
CCOC(=O)C(CO)NC(=O)C1(NC(C)=O)CCCC1,0
O=C(NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O,1
COC1OC(CNC(=O)N(C)N=O)C(O)C(O)C1O,0
C=C(C)[C@]12O[C@]3(c4ccccc4)O[C@H]1[C@@H]1[C@H]4O[C@@]4(CO)[C@H](O)[C@@]4(O)C(=O)C(C)=CC4[C@]1(O3)[C@@H](C)[C@@H]2OC(=O)/C=C/C=C/c1ccccc1,1
CCCCCCCCCCCCCCN(C)C,0
CN(C)CCC(=O)N1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.Cl,1
CCOC(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1N,0
O=C1N=c2ccccc2=C1Cc1cccc(/C=C2/C(=O)Nc3ccccc32)n1,1
O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2)c1,0
C(=NNc1ccccn1)c1ccccn1,1
Cc1nn(CO)c(C)c1Br,0
CC(C)(C)c1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1,1
CC(N)C(=O)NC(CO)C(=O)C(N)CO.Cl,1
O=C(O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12,0
Cc1[nH]nc(C(F)(F)F)c1N=NN1CCOCC1,1
CC(C)COC(C[N+](=O)[O-])C(Cl)(Cl)Cl,0
Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-],1
COc1cc([C@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
Cn1c(=O)c2[nH]c(CN3CCCCC3)nc2n(C)c1=O,0
C[C@@H]1CN1C[C@@H](O)[C@@H](O)CN1C[C@H]1C,1
CC1CCN(C(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1,0
O=C1CC(C(=O)O)NC(=S)N1,0
CCCC[Sn+2]CCCC.O=S(=O)([O-])C([O-])c1ccccn1,1
CN(C)c1ccc(/C=c2/c3cc([N+](=O)[O-])ccc3n3c2cc(-c2ccccc2)[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F,1
O=C(Nc1ccccc1)c1cc(-c2cccnc2)nc2ccccc12,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(=O)c4c(-c5ccc(O)cc5)nc(Nc5cccc(O)c5)nc4[nH]3)cc2)n1,0
COc1ccc(Oc2nc(C#CC(C)(C)O)nc(Oc3ccc(OC)cc3)n2)cc1,1
COc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1OC,0
CN(C)Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc(CN(C)C)c1O.Cl,1
CC(=O)c1sc2nc(-c3cc4ccccc4o3)cc(-c3ccc(Cl)cc3)c2c1N,0
O[C@H](COc1ccc(Cl)cc1)CN1CCCC1,0
O=c1[nH]c(=S)c2ncn(-c3ccccc3)c2[nH]1,0
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CN2,1
N#CC1C(=N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)cc1,1
Cc1[nH]c(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)ONC(=O)c1ccccc1,1
ClCCN(CCCl)c1ccc(CNCCCNCc2ccc(N(CCCl)CCCl)cc2)cc1,1
O=C(NC(=S)N1CC=CCC1)c1ccccc1,0
c1ccc2c(OCC3CO3)ccc(OCC3CO3)c2c1,1
CCC(C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
Cn1cc2c(c1)-c1nc(N)ncc1CC2,0
Cc1cccc(NC=O)c1C,0
C=CCNc1nnc(C)s1.Cl,0
COc1ccc(C(NC(=O)c2ccccc2)C(O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)C(OC(C)=O)=C(C2C)C3(C)C)cc1,1
CC1CN(Cc2ccccc2)C(=S)NC1=O,0
c1cc(C2CCOCC2)ccn1,0
Br.C(=Cc1ccc(-c2cn3cc(C=CC=NNC4=NCCN4)ccc3n2)cc1)C=NNC1=NCCN1,1
O=C(/C(=C\I)c1ccccc1)c1ccccc1,1
c1ccc(NN=C2NN=C(c3ccccc3)CS2)cc1,1
COC(=O)/C=C/c1ccccc1,0
CC1(C)OC2C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)OC(c3c[nH]c4c(N)ncnc34)C2O1,1
Nc1nc2cc([N+](=O)[O-])ccc2[nH]1,0
c1ccc2sc(N3CCCCC3)nc2c1,0
O=C(CN1CCN(CC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1,0
CC(C)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-c1ccccc1.Cl,1
COc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1,1
N#CCCN1CCN(CCC#N)CC1,0
CCSc1ccnc(N)n1,0
O=C(CBr)NCCc1c[nH]c2ccccc12,1
Cn1cnc2nc(Cl)nc(Cl)c21,1
CC(=O)Nc1nc(C)c(C(=O)NNC=O)s1,0
COc1ccc(C(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)=NO)cc1,1
S=C(NCCN1CCOCC1)C(=S)NCCN1CCOCC1,0
CCOc1ccccc1[C@@H]1NC(=O)c2ccccc2N1,1
CC(=O)Oc1cc2c(cc1OC(C)=O)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2,1
[Cl-].c1ccc(COc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1,1
CC[C@@H](C)c1c(NS(=O)(=O)c2ccc(C)cc2)o[nH]c1=O,0
Cc1cc2oc(=O)c(Cl)c(Cl)c2c(C)c1Cl,1
Nc1cc(S(=O)(=O)O)ccc1Cl,0
COc1cccc(-n2c(O)c3c(c2O)C2CC(C(C)(C)C)CCC2c2c-3[nH]c3ccc(C)cc23)c1,1
NC(=O)Cc1cccc2ccccc12,0
O=C(c1ccc(Cl)cc1)c1cccc(O)c1,0
Cc1nc2c(O)c(O)c3c4cccc(O)c4[nH]c3c2nc1C,1
Nc1c(Br)cc(Br)c(C(=O)O)c1Br,0
Cc1cc(S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)cc1Cl,1
CN(C=O)c1ccc(CSc2ccccc2)cc1,0
O=C(O)C1C(C(=O)O)C23CC2(C(=O)O)C2(C(=O)O)CCC3=C3CCCC312,1
Nc1c(Cl)cccc1[N+](=O)[O-],0
O=C1NC(=O)C2(CCc3ccccc32)N1,0
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1ccc(O)cc12,1
Cn1ncc2c(Nc3ccc(Br)cc3)nc(Nc3ccc(Br)cc3)nc21,1
S=C1CCCCN1,0
CC(CC(C#N)N(C)c1ccccc1)CC(C)(C)C,0
N#Cc1cccc(N)c1,0
CC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1,0
CCn1c2nc(=O)n(CCCCCCCCSC(c3ccccc3)(c3ccccc3)c3ccccc3)c(=O)c-2nc2ccccc21,1
CC(=O)Nc1ccn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)n1,0
CCC[C@@H]1NC(C#N)(C#N)[C@H](CCC)NC1(C#N)C#N,1
CCNCCNc1c2ccccc2nc2ccccc12,1
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,1
CC1=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2O1.[Br-],1
CC(NNC(=S)N1CCCC1)c1cccnn1,1
CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CO)CC(C)C)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1OC(C)C(O)C(OC2OC(C)C(OC(C)=O)C(O)C2O)C1O,1
O=C1C2C(C(=O)C3C1[C@H]1C=C[C@@H]3C1)[C@H]1C=C[C@@H]2C1,0
COc1ccc(C2=C(c3ccccc3)C(=O)N3CCC[C@@H]3C2)cc1,1
COc1ccc(C=CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1,0
CCOC(=O)/C=C(\C(=O)OCC)n1cnc2c(N)ncnc21,1
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)c3ccoc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
CCCCOc1ccc(SCCCN2CCOCC2)cc1,0
O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,1
Cc1cn2nc(C)sc2n1,0
OC(c1ccccc1)(c1ccccc1)c1nccn1-c1ccccc1,0
CSc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1,1
CCOc1nsc(OCC)n1,0
CC1(C)C2CCC13CC(=O)OC3C2,0
O=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12,1
CCCCC(C(=O)c1ccccc1)N1CCOCC1,0
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ccc(F)cc2)cc1,0
CCC(=O)Oc1c2ccsc2c(OC(=O)CC)c2ccsc12,1
O=C1C(=NCCOCCO)C(Cl)C(=O)c2c(O)ccc(O)c21,1
COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccc(N)cc1C3=O,1
C#C[C@]1(O)CCC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3C(=O)C[C@@]21C,0
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1
O=C(O)C1=CCC=CC1C(=O)O,0
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)N4CCOCC4)C(CC(OC4OC(C)C(O)C(N)C4O)/C=C/C=C/C=C/C=C\C=C/C=C/C=C/C2C)O3)cc1,1
C=C1CC(C)(COc2ccc3c(C)c(Cl)c(=O)oc3c2)OC1=O,1
CC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)/C=C\[S@@+]([O-])c1ccccc1,1
CCN(CC)CCOC(=O)CC1CCCCC1.Cl,0
C1=CC2=C3C=CC=CN3[Nd+3]34(N2C=C1)(N1C=CC=CC1=C1C=CC=CN13)N1C=CC=CC1=C1C=CC=CN14.N#C[S-],1
C=C1CC[C@@H]2C(=C)C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)[C@@H]12,1
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1,1
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1,0
Cc1c2c3ccccc3nc-2n(C)c2ccccc12,1
COc1ccc([C@H]2c3ccc4ccccc4c3Oc3nc(N)c(C#N)c(N)c32)cc1OC,0
CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)c4ccccc4)cc3N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)C2=O)cc1,1
CCN(CC)C(=S)NN=C(C)c1cccc(C)n1,1
COc1ccc(N)cc1S(=O)(=O)O,0
COc1ccc(-c2[nH]c3ccccc3c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1,1
COc1cc(C2c3cc4c(cc3OC(C)(N3CCCC3)C2C)OCO4)cc(OC)c1OC,1
Cn1c(O)c2c(c1O)CC(SC1Cc3c(c(O)n(C)c3O)CC1O)C(O)C2,0
O=C(CN1CCCc2ccccc21)NNC(=O)c1cc2ccccc2o1,0
O=C(Nc1ccc(F)cc1)OCCOc1ccc([N+](=O)[O-])cc1,0
Clc1ncnc2c1ncn2CCCCCCCCCCCCn1cnc2c(Cl)ncnc21,1
C=c1[nH]c2ccc(NCCN(CC)CC)c3c(=O)c4cc(OC)ccc4n1c23.Cl,1
Cn1c(S(C)(=O)=O)nc(-c2ccccc2)c(C#N)c1=O,0
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3ccc(N)nc3N)cc2)n1,0
O=C(O)c1ccc(S(=O)(=O)O)o1.[Ba+2],0
CC(=O)OC1=C2C(C)C(OC(=O)C(OC(=O)CCC(=O)[O-])C(NC(=O)c3ccccc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C.[Na+],1
O=Cc1ccc(C=CC(=O)O)cc1,0
CCCCc1ccc(-n2c(C)c(COC(=O)NC)c(COC(=O)NC)c2C)cc1,1
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)c3ccc([N+](=O)[O-])cc3)c1)CO2,1
COc1ccc([IH]c2ccccc2)cc1.O=C(O)C(F)(F)F,1
Nc1nc2cc(Cl)ccc2o1,0
O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1,0
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O,0
COc1cc(N2C(=O)C=CC2=O)ccc1N1C(=O)C=CC1=O,0
CCCCn1c(O)cc(C(=O)OCC)c1C,0
Cc1c2cc[n+](Cc3ccc(I)cc3)cc2c(C)c2c1[nH]c1ccccc12.[Cl-],1
CCCCCCCCCCCCCCCCNC[C@@H](O)CN,1
C[C@H]1CCCN(C[C@@H](O)CN2CCN(C[C@@H](O)CN3CCC[C@H](C)C3)[C@H](C)C2)C1,0
CCc1c(Cl)nc(Cl)nc1Cl,1
N=C(N)SCc1c2ccccc2c(CSC(=N)N)c2ccccc12,1
CC(C(=O)C(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1,1
COc1ccc(Nc2[nH]c(=O)nc(N)c2N=O)cc1,0
O=C(O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,0
COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,1
Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c12,0
C1CCCC(N=C2NCCO2)CCC1,0
CCCC[Sn+2]CCCC.O=C1CCC(C(=O)[O-])N1.O=C1CCC(C(=O)[O-])N1,1
O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-],1
CCN(CC)CCN=C(O)c1cccc2cc3ccccc3nc12.Cl,1
c1ccc(CN(CCN2CCOCC2)Cc2ccccc2)cc1,0
O=c1[nH]c(F)nc2c1ncn2C1OC(CO)C(O)C1O,0
Cc1cc(=O)oc2cc(OCCN(C(C)C)C(C)C)ccc12,0
Cn1c(O)c(N=Nc2ccc([N+](=O)[O-])cc2)sc1=S,1
Cc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(C)cc3)cc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1,0
CC[C@]1(CCC(C)C)SC(=N)NC1=O,0
O=[N+]([O-])c1cc(F)cc(F)c1Nc1cc(F)cc(F)c1,0
OC(COc1ccccc1Cl)COc1ccccc1Cl,0
O=C(O)C(F)(F)F.O=C1C(Br)=CC2([N+](=O)[O-])CCN=c3c(O)c4c5c(c3=C2C1Br)=NCCC=5C=N4,1
C/N=C1/Cn2c(nc3ccccc3c2=O)CN1C,0
C=CCNc1nc2c(s1)CCc1cc(OC)c(OC)cc1-2,0
Nc1c(C(=O)c2ccc(Cl)c(Cl)c2)[nH]c(NCc2ccccc2)c1C(=S)Nc1ccccc1,1
C=C[C@](Br)(CBr)CC[C@H](Cl)C(C)C,1
OCc1ncccc1O,0
Clc1nc(Cl)c(CBr)c(Cl)n1,1
CCOc1ccc(Cc2nc3cc(NC/C=C/C(=O)OC)ccc3n2CCN(CC)CC)cc1,1
CCCCN(C(=O)OCC)c1ccccc1,0
CCOP(=O)(OCC)/C(C#N)=C/c1ccoc1,0
CCOC(=O)Cc1cnn(C)c1NC(C)=O,0
CSc1nsc(NN)n1,0
COC(=O)C1=CCCCN(C(c2ccccc2)c2ccccc2)C=C1C(=O)OC,0
Cc1[nH]n(-c2nc(-c3ccccc3)c(C#N)c(=O)n2C)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1,0
CC(=NNC(=S)N1CCCCCC1)C(C)=NNC(=S)N1CCCCCC1,1
O=S1(=O)c2ccccc2C(O)(c2ccccc2)c2ccccc21,0
CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCCN)c1ccc(Cl)cc1.Cl,1
Cl.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2,1
CCCCCOC(=O)c1cccnc1,0
CCOC(=O)C(=O)N(CCC(=O)O)c1ccccc1,0
CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1,0
Cc1ccc(Nc2ncc3c(=O)[nH][nH]c(=O)c3n2)cc1,0
CCOC(=O)C1=C(C)N(CC(OC)OC)[C@@]2(O)C(Cl)=C(Cl)C(=O)C(C#N)[C@]12C#N,0
CCOCCc1cccc(C)n1,0
C=Cc1ccccc1C1(O)C=CC(OC)(OC)C=C1,1
O=C1c2ccccc2C(=O)c2c1oc1cc(O)c(Cl)cc21,1
N#CC(=NNc1ccc(S(=O)(=O)O)cc1)C(N)=O,0
[O-][n+]1ccc(CC(O)(C(F)(F)F)C(F)(F)F)cc1,0
FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@@H]1CCCN2CCCC[C@H]12,1
COc1cc(C=Cc2ccc(Cl)cc2)cc(OC)c1OC,1
CN1C2CCCC1CC(=O)NC2,0
Nc1cc(N)n(C2=NCCN2)n1,0
CCCCCCCCCCCC1=N[C@](C)(CO)CO1,0
CC1(C)OC(=O)N(CO)C1=O,0
Cc1ccc2c(n1)C(=O)C=CC2=O,1
OC[C@@H](O)[C@H](O)[C@@H](O)C(C=NNc1ncnc2ccc(Br)cc12)=NNc1ncnc2ccc(Br)cc12,1
Cl.O=c1oc2c3ccc4ccccc4c3n(Cc3nc4ccccc4[nH]3)c2c2ccccc12,1
Cc1ccc(Nc2nc(Cl)nc3ncn(C)c23)c(C)c1,0
O=C1C2C[C@@H]3N1CC[C@@]31c3ccccc3-n3c1c2ccc3=O,0
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2cccc(Oc3ccccc3)c2)cn1,0
CC1CN1c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O,1
Nc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)cc1,1
CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C,0
COC(=O)Cc1nc2c(N)nc(N)nc2[nH]c1=O,0
CCCCSc1ncnc2[nH]cnc12,0
CCN(CC)CCCNc1cccc2c(SCc3ccccc3)ccnc12,1
COc1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1,1
CC(C)(CNc1ccccc1)[N+](=O)[O-],0
CN(C)Cc1cc(C(=O)/C=C/c2cccc(Cl)c2)cc(CN(C)C)c1O.Cl,1
Cc1ccccc1-n1c(O)csc1=S,0
COc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1,1
O=C(C=Cc1ccc2c(c1)OCO2)C1CC1,0
CC1CC(C)C2OC2(C)CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c(Br)[nH]c3ccccc23)C(=O)NC(c2ccc(O)cc2)CC(=O)O1,1
CC(C)COC(=O)N1CCCCC1C,0
CC1=CP(=O)(c2ccccc2)C=C(C)C1=C(Cl)Cl,1
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C([O-])C(=O)[O-],1
CCCCCCC(=O)NCc1ccc(O)c(OC)c1,0
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2N=O)cc1OC,0
Oc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1,1
O=C1C(Cl)=C(Cl)C1(Cl)Cl,0
CC1(C)COC(c2ccc3c(c2)OCO3)OC1,0
C(=N/OCc1ccccc1)\c1ccncc1,0
CCCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1,0
O=C(Cc1ccccc1)c1ccc(Cl)cc1,0
CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCO3.Cl,1
CCCCCCCCCCCCNC1(C)CNCCCNCCNCCCNC1,1
O=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCCN2CCOCC2)cc1,0
CCC(=O)NC(O)C(Cl)(Cl)C(C)Cl,0
CC(COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1,0
Cc1c(-c2ccccc2)nnn1-c1ccc(F)cc1F,0
CCOC(=O)c1c2c(c(C)n1Cc1ccc(OC)cc1)-c1[nH]c(=O)ncc1CC2,0
CCOC(=O)/C=C(/OCC)[C@@H]1C(C(=O)c2ccc(Cl)cc2)[C@@H]1/C(=C\C(=O)OCC)OCC,1
COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CC(F)(F)CC1C=N3)N=CC1CC(F)(F)CN1C2=O,1
CSc1[nH]c(=O)nnc1Sc1ccccc1,0
Cc1cc(C)c([N+](=O)[O-])c(C)c1,0
CCCCCCCCCc1ccc(S)cc1,0
C=C(CN1CCN(c2ccc(F)c(Cl)c2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
S=C(NN=Cc1ccccn1)N1CCCCCC1,1
O=C(O)C=C(Cc1ccccc1)C(=O)O,0
CCN(CC)CCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21,1
CC1=CC(C)(C)NC(=S)N1c1ccc2ccccc2c1S(=O)(=O)O,0
Nc1nc(=O)c(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(N)[nH]1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(C#N)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
COc1ccc2cc(C(=O)/C=C/c3ccccc3OC)ccc2c1,1
CCN(CC)c1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1,1
O=S(=O)(O)c1ccc(O)c(O)c1,0
CCCCC#Cc1c(I)n([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)c(=O)[nH]c1=O,1
CSc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O,0
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC3C(=O)OC[C@@H]32)cc1OC,0
CC1=CC2=C(OCO1)C(=O)c1ccccc1C2=O,1
CC(=O)O/C(=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)C(F)(F)F,1
COc1ccc(/C=C/c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)cc1,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)n1,1
C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@H](C)[C@]6(OC[C@@]45C(=O)C[C@@]3(O)[C@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@@](C)(CO)C[C@@H]2O,1
O=C(CC(=O)Nc1ccccc1)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O,1
COc1cc(OC)c(OC)cc1/C=C/c1ccc2ccccc2n1,1
CCOC(=O)CC(C)C(C(=O)OCC)C(=O)OCC,0
O=C(O)CCC(=O)O,0
CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO,1
O=C(/C=C/c1cccs1)c1ccccc1,0
CC1=C(C#N)C(C)(C)C(C#N)=C(C)N1,0
CCN(CC)C(=O)CCCC1CCCCC1,0
Cc1ccccc1N1CCN(C(=S)Cc2ccccc2)CC1,0
COc1ccc(-c2cc3ccccc3[nH]2)cc1,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)no1,1
O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCNCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O,1
COc1cc(CCC(=O)O)on1,0
Cl.N#Cc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12,1
O=C(OCCN1CCCCCCCC1)C(O)(c1ccccc1)c1ccccc1,0
C=C1C(=O)C=C2C=C3C(=O)C(C)(C)C[C@]3(O)[C@]12C,1
CSc1nc(=O)cc(N)[nH]1,0
COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OC)cc3c2cc1OC.CS(=O)(=O)[O-],1
COc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1,0
CSc1nc(S(C)(=O)=O)nc2[nH]c(=O)[nH]c12,0
C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@]1(C)C(=O)C=CC1[C@@H]2C,1
Cc1ccc(C)c(I)c1,0
O=C(O)CNS(=O)(=O)c1ccc(OCCOc2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1,0
Cl.Nc1nc(=O)c2[nH]cnc2[nH]1,0
COc1ccc2c(c1)C(=O)CCc1cc(OC)c(OC)c(OC)c1-2,1
Cl.NCCc1ccc(O)cc1,0
CCOc1ccc(C=C2C(=O)N=C(NC(C)=O)N2C)cc1,0
CCN(CC)c1cc(C(=O)O)cc(Cl)n1,0
Cc1cn2c(/C=C3/C(=O)Nc4ccccc43)c(-c3ccc(Cl)cc3)nc2s1,1
CCN(CC)c1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1,1
O=C(O)C(Br)C1CCCCC1,0
O=c1[nH]c(=S)[nH]cc1Cc1ccccc1,0
O=C1NC(=S)N=C1Cc1ccc(O)cc1,0
N#CSCc1c(Cl)cccc1Cl,1
CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1,1
O=C1C(O)CCN1C1CCCCC1,0
Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1,0
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(=O)O)c(O)c3)c2c1,0
CC1=CC(C)(C)NC(=S)N1c1cccc(Cl)c1,0
CCCC(=O)/C=C/S/C=C/C(=O)CCC,1
Cc1ccc(C(c2ccccc2C)C(Cl)(Cl)Cl)cc1,0
COc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1,1
N#CC1(Nc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1,1
Cc1cc(=O)[nH]c(=S)[nH]1,0
O=[N+]([O-])c1c(N2CCN(CCO)CC2)nc2ccccn12,0
O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN1CCOCC1,0
COc1ccccc1NC(=O)C1=C(C)N=C(C)C(C(=O)Nc2ccccc2OC)C1c1ccco1,1
C=CCC(CC)C(=O)NC(=O)N1CCCc2ccccc21,0
Cc1ccc(C)c(C(=O)CCC(=O)O)c1,0
CNC(=O)OCn1c(O)c2c(c1O)CC=CC2,0
COC(=O)C1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)CC(C)=O)[C@@H]1OC,0
CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(c5ccccc5)CC4)cn3c(=O)c2c1,1
CCN(CC)CCCC(Cc1ccccc1)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,1
Nc1ccc(C(=O)NCC(=O)O)cc1,0
Cc1cc(S(=O)(=O)NO)c(N)cc1Cl,0
O=C1OCCCCCCCCCC#Cc2ccccc21,0
CC(=O)NN=C1CC2CCC1(C)C2(C)C,0
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],1
C[As](C)Sc1ccnc(S[As](C)C)n1,1
COCc1ccc2ccccc2n1,0
CCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCC)c4c3O)c(O)c12,0
C=C[C@H](COC(C)=O)N1CC1,0
COC(=O)COc1ccc(CC2=NC(=O)N(c3ccccc3)C2=O)cc1,0
N#Cc1c(N)[nH]c2ccc(Sc3ccccc3)cc12,1
CCOC(=O)C(C(=O)OCC)C(=O)OCC,0
CC(=CCl)COC(C)(C)C,0
COc1ccc(/C=C2/CCOC2=O)cc1,0
OC1(c2ccccc2)CCCC1,0
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,0
O=C(NN=Cc1cc(=O)[nH]c(=O)[nH]1)c1ccncc1,0
CC(=O)Nc1ccc(S(=O)(=O)N(CCOc2ccc(C(=N)NCl)cc2)CCOc2ccc(C(=N)NCl)cc2)cc1,0
CCCCCCCCCCCCCCC1(C(=O)O)CCOC1=O,0
C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](O)C[C@@H]12,0
CCC1([N+](=O)[O-])COP(N)(=O)OC1,0
O=C(NNC(=O)c1cccc2ccccc12)c1cccc(Cl)c1,0
CCCCCC(O)(CCCCC)CCCCCCC=Cc1c(O)c(O)c2ccccc2c1O,1
O=C(O)C=C(CCC1CCCCC1)C(=O)O,0
N=C(NOC(=O)c1ccccc1)C(Cc1ccccc1)C(=O)NOC(=O)c1ccccc1,1
Nc1nc(=S)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1,1
Cc1[nH]c2ccccc2c1CN1CCCCC1,0
Cc1nc2c(c(-c3ccccc3)n1)Cc1c(ccc3ccccc13)O2,0
COc1cc(C=C2c3ccccc3C(=O)c3ccccc32)ccc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2,1
COc1ccc(CNCCO)cc1,0
CC1C(C)N(C(=O)CCCl)c2ccccc2N1C(=O)CCCl,0
Nc1nc(SCc2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1,0
COc1ccc(Cl)cc1N,0
O=C1C=CC(=O)N1CO,0
OCc1ccc(Cl)cc1,0
Nc1nc(=O)c(Br)c(N)[nH]1,0
CCCC[Sn+2]CCCC.[O-]CC([O-])CN1CCOCC1,1
CC(=O)Oc1cc(Cl)c(OC(C)=O)c2c(OC(C)=O)c(C)c(O[Si](C)(C)C(C)(C)C)cc12,1
Clc1ncnc2c1ncn2Cc1ccccc1,0
CN(C)/C=C/c1ccnc2c1C(=O)c1ccccc1C2=O,1
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)[C@H](O)c2ccccc2)cc1,0
O=C(Nc1cc(F)ccc1F)c1cc2c(=O)n3ccccc3nc2s1,0
O=C1NCCCN1,0
CC(C)=C(c1ccc(Cl)cc1)c1ccccc1Cl,0
COc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1,0
COc1cc([N+](=O)[O-])c2nc(C(=O)O)ccc2c1,0
NCCC(=O)c1ccc(Cl)cc1,0
NC(=O)CC[n+]1ccc(C(=O)O)cc1.[Cl-],0
CN(C)Nc1ncnc2[nH]cnc12,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,0
O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12,0
COc1ccc2c(CN3CCC(C(=O)O)CC3)cc3cc4c(cc3c2c1)OCO4,1
COc1ccc2c(c1)[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC1(C3)OCCO1,0
CC(C)[As](SC[C@@H](O)CO)C(C)C,1
Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1,1
O=C1NC(=O)c2c(Br)c(Br)c(Br)c(Br)c21,0
CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1
CC(C)NC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-c1ccccc1.Cl,1
O=S1(=O)N[C@@H]2c3ccccc3C=CN2c2ccncc21,0
O=C(Nc1ccccc1Cl)NN1CCCCCC1,0
CC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1,0
CC(=O)c1ccc(OC(=O)Oc2ccc(C(C)=O)cc2)cc1,0
O=S(=O)(O)c1ccc2ccc(S(=O)(=O)O)cc2c1,0
Cc1occc1-c1nnc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)o1,0
Oc1c(C(Nc2ccccc2Br)c2ccccc2)ccc2cccnc12,1
COc1ccc(-c2coc3cc(OC(C)=O)ccc3c2=S)cc1,0
COc1c(N)c2c(c([N+](=O)[O-])c1OC)C(=O)OC2,0
C=C1C(O)C2(O)OCC34C(CC5C(C)CC(=O)C(=O)C5(C)C23)OC(=O)C(OC(=O)CC=C(C)CCCCC)C14,1
CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@]34O[C@H]4C[C@@]21C,0
O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1,1
COc1cc(CCNc2cnc3cc(N)cc(N)c3n2)cc(OC)c1,0
CC(C)(N)COS(=O)(=O)O,0
CCOc1ccccc1NC(N)=S,0
N#Cc1c(-c2ccccc2)nc(=S)[nH]c1Cl,0
COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,0
CN(C)CCCN(CCC1CCCCC1)CCC1CCCCC1,1
FC(F)(F)C(F)(F)C(F)(F)c1nc2nc(Cl)c(Cl)nc2[nH]1,0
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1.[Cl-].[H+],0
CCOC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCCC1,0
C[C@H]1OC(C)(c2ccc(Cl)c(O)c2)O[C@@H]1C,0
S=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,1
Cc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)c3ccc(Cl)cc3)c1)CS2,1
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc([N+](=O)[O-])c1,1
COc1cc(C=C2CC(C)CC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,1
CSc1cc(SC)nc(N)n1,0
O=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl,1
Cc1cc(C)c2c(=O)cc(-c3cccc4ccccc34)[nH]c2n1,1
Cc1cccc(C)c1N=C(N)NN(O)O,0
O=S(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)O)cc2)cc1,0
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2nnc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c3[N+](=O)[O-])s2)c1[N+](=O)[O-],1
Fc1ccccc1CCl,0
S=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,1
CCC(=O)[O-].CCCC[Sn+](CCCC)CCCC,1
Cc1ccc(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)c1,0
CC(=O)OCC1OC([Se-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.N#CCC[PH-](CCC#N)CCC#N.[Au+2],1
C=CCNC(=O)OC(C)C,0
CCN(CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1,0
C#CCn1c(=O)c(C)cn(/C(=C\C(=O)OCC)C(=O)OCC)c1=O,1
Nn1c(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc3c2c1=O,0
CCC1CCC(=O)O1,0
CC(C(=O)N1C(=O)N(C(=O)C(C)[C@@H](O)c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1)[C@H](O)c1ccccc1,1
CCN1C(=O)NC(=O)C(=CN(CCO)CCO)C1=O,0
O=C(N=C1CC(=O)c2ccccc2C1=O)c1ccccc1,1
O=C1N=C(SC(SC2=NC(=O)C3(NN2)c2ccccc2-c2ccccc23)=C(SC2=NC(=O)C3(NN2)c2ccccc2-c2ccccc23)SC2=NC(=O)C3(NN2)c2ccccc2-c2ccccc23)NNC12c1ccccc1-c1ccccc12,1
CC(=O)OCC(=O)C1(O)C(C)CC2C3C=C(C)C4=Cc5c(cnn5-c5ccc(F)cc5)CC4(C)C3C(O)CC21C,1
O=C(Nc1ncnc2[nH]cnc12)c1ccccc1,0
NNc1cc(Cl)c(S(=O)(=O)O)cc1Cl,0
O=S(=O)(O)C[C@@H](O)CN(CCO)CCO,0
Cc1ccc2nc(-c3ccc(-n4on4-c4ccc(C=Cc5ccc(-n6on6-c6ccc(-c7nc8ccc(C)cc8s7)cc6)cc5S(=O)(=O)O)c(S(=O)(=O)O)c4)cc3)sc2c1,0
Cc1cnc2cc(Cl)ccc2c1Cl,0
CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1,1
Nc1cc(=O)[nH][nH]1,0
CCN(CCO)CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12,1
Cc1occc1-c1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1C,0
O=C(c1ccccc1)c1ccc2c(c1)CCCC2,0
NC(=S)NN=Cc1ccc(Cl)cc1,0
O=[N+]([O-])C=Cc1cccc(F)c1,1
CN(C)c1ccc(C=NNC(N)=S)nc1,1
CC1(C)C(=O)NC(=O)C1(C)C,0
C=C(C)C1CCc2c(C)cc(O)c(C(=O)O)c2C1,1
Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccc(Cl)cc3nc-2c1=O,1
N#Cc1cnc2n(c1=N)CCCCC2,0
COc1ccc2ccc3oc([N+](=O)[O-])cc3c2c1,1
CC(=O)N(N=O)c1c(Cl)cc(Br)cc1Br,0
CC(=O)c1cc2c(cc1F)C(C)(C)CCC2(C)C,0
COc1cccc(C(=O)C#Cc2cnc(OC)nc2OC)c1,1
CCN(CC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12,1
OCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,1
CCC(C)C1(C2CCCC2)NC(=O)NC1=O,0
O=C1OC(c2ccccc2)(c2ccc(O)cc2)c2ccccc21,0
CCCCCCCSCCO,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCCCC2)c1=O,1
O=C(O)CNC(=O)C1(NC(=O)OCc2ccccc2)CCCC1,0
ClCc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1,1
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21,1
O=C(CCCn1c2c(sc3ccccc32)c(=O)n2nnc(-c3ccccc3)c12)NCCc1c[nH]cn1,1
Cc1ccc(CCO)cc1,0
C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@H](C)[C@](O)([C@@H](O)CC(C)(C)O)OC[C@@]45C(=O)C[C@H]3[C@]1(C)C8)O[C@@](C)(CO)C[C@@H]2O,1
CCS(=O)(=O)c1cc(=O)[nH]c(=O)[nH]1,0
CCN(CCCl)c1ccc(NC(=O)c2cc(C(=O)NCCN(C)C)cc(C(=O)Nc3ccc(N(CC)CCCl)cc3)c2)cc1.Cl,1
Cc1cccc2c(N)c3ccccc3nc12,1
CC(C)C(CCC(=O)O)CC(=O)O,0
CN(C)c1ccc(/C=N/N2CCCCCC2)cc1,0
CC1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5O[C@]5(C)CC[C@@]4(COC(=O)C1O)[C@]2(C)[C@@]31CO1,1
Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N.[Cl-],1
CCOC(=O)c1c([N+](=O)[O-])c(C)[nH]c(=O)c1C#N,0
Cc1cccc(-c2cccc(C)n2)n1,0
CCOC(=O)CC(C(=O)OCC)N1CCCCC1,0
O=c1nc(Nc2ccccc2)cc[nH]1,0
O=[N+]([O-])c1ccc(CSc2c3ccccc3nc3ccccc23)cc1,1
C=C(C(=O)c1ccccc1)[C@H](NC(C)(C)C)c1ccccc1,1
CCN(CC)CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCN(CC)CC)c4c3O)c(O)c12,1
N=C(N)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,1
CCOC(=O)c1cc(OCC)nc2ccccc12,0
CCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1,0
Cn1cccc1-c1cc(C(=O)NN=Cc2cccc(O)c2)[nH]n1,0
Cl.O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCNCCNCCCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,1
CCOC(=O)C(Cc1ccnc2ccccc12)=NO,0
CCOC(=O)CC(C)=NNC(=O)c1ccncc1,0
Cc1sc2[nH]c(/C=C/c3ccc(Cl)cc3)nc(=O)c2c1C,0
CC(C)OP(=O)(CCCCCCCCCC=Cc1ccc2c(c1)OCCOCCOCCOCCO2)OC(C)C,1
CC(C)(CN1CCCCC1)C(=O)/C=C/c1c(Cl)cccc1Cl.Cl,1
CC(C)(CO)C(O)C(=O)NN,0
O=C(Nc1ccc(O)c(C(=O)O)c1)Oc1ccccc1,0
Oc1ccccc1C=NNC(=S)NN=Cc1ccccc1O,1
N#Cc1cc2c(cc1Cl)Sc1nccn1S2(=O)=O,1
CN(C)/N=N/c1cccc([N+](=O)[O-])c1,0
N#CC(=Cc1c[nH]c2ccccc12)C(N)=O,0
Br.CC[C@@H]1CN2C(=N1)c1ccccc1-c1cc(Cl)ccc12,1
Cc1cc(NC(=O)C(Cl)=C(Cl)C(=O)O)c([N+](=O)[O-])cc1C,0
COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1c(Cl)cccc1Cl,1
c1ccc(Cn2ccnc2C2OCCO2)cc1,0
COc1cccc(N=C2C(=O)N(Cc3ccc(Cl)cc3)C(=O)C2Cl)c1,1
NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1,0
O=C(O)CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1,0
O=c1cc(-c2ccccc2)[nH]c2cccc(S)c12,1
Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,1
COc1cc2c(cc1OC)C(c1cc(OC)c(O)c(OC)c1)C1C(=O)OCC1C2Nc1ccc(C#N)cc1,1
Cn1ncc2c(=O)[nH]c3c(-c4ccccc4)nnn3c21,0
CCOC(=O)c1c2c(c(C)n1Cc1ccccc1)-c1oncc1CC2,0
CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1,0
ClCCN(CCCl)c1ccc(OCc2ccccc2)cc1,1
CN(C)CCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3,1
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1CCl,1
CCCCCCCCCCCCC/C=C(/COCC[N+](C)(C)C)OC(C)=O.CCCCCCCCCCCCCC/C(=C/OCC[N+](C)(C)C)OC(C)=O.[I-].[I-],1
CCCCC(=O)c1ccc(F)cc1,0
CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2O[C@H]12,0
C=C(Cl)[C@](Br)(CCl)CC[C@@H](Br)C(C)(C)Cl,1
COc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3C2O)cc1OC,0
CN(CCCCCl)[P@](=O)(OCc1ccc([N+](=O)[O-])o1)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O,1
COc1ccc(OC)c(/C=N/N=C/c2cc(OC)ccc2OC)c1,0
CC(C)C(=O)N(C(C)C)C(C)C,0
N#CC(c1ccccc1)[N+](=O)[O-].[Na+],0
CCO[C@H](COC(=O)c1ccccc1C(=O)O)c1ccccc1,0
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)c3ccccc3)c1)O2,1
Cl.N=C(N)N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12,1
COc1ccc2nc(Cl)cc(C)c2c1,0
CC(=O)CC(=O)Nc1ccc(Cl)cc1C,0
Cc1cc(C)c(C)c([C@@](O)(C(=O)O)c2ccccc2)c1C,0
c1ccc2nc3cc4c(cc3nc2c1)N[C@@]12CCCC[C@@H]1CC1=C(CCCC1)N42,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)c1ccc(N)cc1.Cl,1
O=C(OCCO)c1ccccc1-c1c2cc3cc(Br)c([O-])c(Br)c3oc-2c(Br)c(=O)c1Br.[Na+],0
CN(C)CCc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O,1
Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-],0
Cc1nn(C)c(Cl)c1[N+](=O)[O-],0
COc1cc2c3c(n(CCNCCCNCCn4c5c(c6cc(OC)c(OC)cc6c4=O)C(=O)c4ccccc4-5)c(=O)c2cc1OC)-c1ccccc1C3=O.O=C(O)C(F)(F)F,1
Brc1ccc2ns[s+]c2c1.[Cl-],1
Cc1cccc(Cc2nc3ccccc3[nH]2)c1,0
CN[C@@H]1[C@H](O[C@H]2[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@@]2(O)/C=N/NC(N)=S)O[C@H](CO)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,0
CC(C)(C)N1CCC1C(N)=O,0
Cn1c(=O)c2[nH]c(Nc3cccc(Cl)c3)nc2n(C)c1=O,1
COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1,0
COc1ccc(NC(C)=O)c([N+](=O)[O-])c1[N+](=O)[O-],0
FC(F)(F)c1cc(Cl)cnc1NN=C(c1ccccc1)c1ccccn1,1
COc1ccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc1OC,1
O=[N+]([O-])C(=C(Br)SCc1ccccc1)C(Cl)=C(Cl)Cl,1
C=C1C[C@@](C)(COc2cc(=O)oc3ccccc23)OC1=O,1
CCOC(=O)C1CCCCC1=O,0
Cl[Bi]1(Cl)SC(N2CCCCC2)=[SH]1,1
CCOP(=O)(CCCC(O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC,1
CCOC(=O)C(Br)=P(c1ccccc1)(c1ccccc1)c1ccccc1,0
CCCCCC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
S=c1[nH]nc(-c2ccc(Cl)cc2)s1,0
CCOC(=O)N(CC)c1ccccc1,0
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccc(Cl)cc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
CC(=N)C(C#N)C(=O)c1ccccc1,0
CCCCCCCC/C=C/CCCCCCCC(=O)N(O)[C@@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO,1
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,0
CC(C)N1CCN(c2ccncc2S(=O)(=O)N2CCN(C)CC2)CC1,0
C[C@@H](O)[C@@H](O)[C@H](N)CC=O.Cl,0
N#CSCC(=O)c1ccc(Cl)cc1,1
Cn1c(=S)c2[nH]c(SCCN)nc2n(C)c1=O,0
CN(C)c1ccc(/C=C(\C#N)C(N)=O)cc1,0
CCOC(=O)c1ccc(N[C@@H]2Oc3cc4c(cc3[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C)OCO4)cc1,1
Br.CN(C)CC1CC=C2OC3=CCC(CN(C)C)C(=O)C3C(c3ccc(Cl)c(Cl)c3)C2C1=O,1
Cc1cccc(C[C@@H](c2cccc(C)c2)N(C)C)c1,0
CC[C@@H](C)[C@@]1(C2CCCC2)NC(=O)NC1=O,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2cccc(Cl)c2)cc1,1
COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)c(O)c1O,1
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCCCC3)c12,1
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)OC,0
CCO/N=C\c1ccc2oc(-c3ccccc3)cc(=O)c2c1,1
Oc1cc(O)cc(O)c1,0
CC(C)c1cc(C(C)C)c([P@]2(=O)C[C@@H]3C(Cl)(Cl)[C@]3(C)C2)c(C(C)C)c1,1
Nc1nc2cc(Cl)ccc2n1N,0
O=C1OC2C(O)COC23OC(O)CCC13O,0
CN(C)CCNC(=O)c1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12.Cl,1
CCN=C(N(C)C)N(C)C.O=S(=O)(O)C(F)(F)F,0
Cl.Cn1ncc2c(NCCc3ccccc3)ncnc21,0
Nc1nc2ccc(Cl)cc2o1,0
C=c1c(=Cc2oc3ccccc3c2O)c(=O)n(-c2ccccc2)n1C,0
C[C@]1(O)C=c2c(O)c3c(O)ccc(O)c3c(O)c2=C[C@@H]1O,1
C=CCC1CCCC1=NO,0
Cc1c(CNc2ccc(C(=O)NC(CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cc2)cnc2nc(N)nc(N)c12,1
CCCCOP(=O)(OCCCC)c1ccccc1,0
O=C(O)c1cocc1C(=O)O,0
O=C(c1ccccc1)c1ccc(N2CCOCC2)cc1,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)c1O,1
CCN=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N(CC)CC)c(C)c2)C=C1,1
O=C(OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@H](O)[C@@H]1O)c1ccccc1,0
COC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(C)=O,0
Cc1nc(NCc2ccccc2)c2cc[nH]c2n1,0
CCOC(=O)c1cccc(C)c1O,0
COc1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)C[C@@H]1O,0
CC1CCCC1OC(=O)c1ccc([N+](=O)[O-])cc1,0
N#CCC(=O)Nc1ccccc1,0
COc1ccc(/C=C2\C[C@H](C)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC,1
CC(=O)Nc1ccc(NC(=O)c2ccc([As](O)O)cc2)cc1,0
CCN(CC)C(=S)NN=C(C)c1cccc(C(C)=NNC(=S)N(CC)CC)n1,1
Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,0
CCOc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,1
CC(=NNC(=S)N1CCN(C2CCCCCC2)CC1)c1ccccn1,1
Cc1c(C(N)=O)sc2nc(SCC(=O)Nc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c12,0
CC(=NNC(=O)c1ccccc1O)c1cccc(C(C)=NNC(=O)c2ccccc2O)n1,1
C#CCN(C)Cc1ccccc1.[Cl-].[H+],0
CC(=O)Nc1ccccn1,0
NNc1nncn2c1cc1ccccc12,0
NC(=O)Cc1nc(O)cs1,0
NC(=S)NN=C1CCC2(CCCCC2)CC1,0
Br.Clc1ccc(CCN(CCc2ccc(Cl)c(Cl)c2)CCN2CCCC2)cc1Cl,1
CCC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,0
CCOc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1,0
CSC(=S)NN=C(C)c1cccc(C)n1,1
Cc1ccc(N2CCN(CC(O)c3ccccc3)CC2)cc1,0
CN(C)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23,1
C[C@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@@H]1O,1
CCC(C)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1,0
COCN1CCC2N(COC)CCC3N(COC)CCC1N23,0
N=C(N)Nc1ccc(S(=O)(=O)O)cc1,0
CC1(C)[C@H]2CC[C@](O)(C(=O)O)[C@@H]1C2.[Na+],0
O=C(NN=Cc1ccccc1O)c1ccccc1,1
CC(O)CCNC(c1ccccc1)C(O)c1ccccc1,0
Nc1nc(=O)cc(C(=O)O)[nH]1,0
N#Cc1c(-c2ccco2)nc(=S)[nH]c1N1CCOCC1,1
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c2c1no[n+]2[O-],1
COC(=O)CCC(C(=O)CN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O,0
O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-],1
O=C1C(Sc2ccc3ccccc3c2)=C(Sc2ccc3ccccc3c2)C(=O)c2ccccc21,1
Cc1oncc1N=C1CC(=O)C(=O)c2ccccc21,1
CCN(CC)CCCN=c1ccc2ncn3c4ccc(O)cc4c(O)c1c23.Cl,1
COc1ccc(Nc2nc(N)c(C(=O)c3ccc(Cl)cc3)s2)cc1,1
CCC[C@@H]1CCCCN1C(=O)OCC(C)C,0
COc1ccc(C=CC(=O)OCCCCOC(=O)C=Cc2ccc(OC)cc2)cc1,0
N#CC(C#N)=Cc1ccc(Br)cc1,0
COc1cccc(CNCc2cccc(OC)c2O)c1O,0
COc1ccc(Cc2n[nH]c(=S)n2-c2cc(C)ccc2C)cc1OC,0
Cc1cc(C)c2c(c1)N[P@@](=S)(c1ccccc1)N2,0
COc1cc(C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,1
C=C(C)[C@@H]1C/C=C(\COC(=O)C(OC(C)=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)CC[C@H]2O[C@]2(C)CC/C=C(\C)CC1,1
Cc1cccc(Nc2ccccc2C(=O)O)c1C,0
c1cncc(CCc2ccncc2)c1,0
Nc1cccc(Br)c1,0
C[C@@]12O[C@H]3C[C@@H](O1)[C@@]1(C=O)[C@@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@@]5(O)[C@H]4CC[C@@]1(C3)O2,1
CSc1nnc2n(C)c(=O)c(C#N)c(-c3ccco3)n12,0
CO[C@H]1C=CC=C(C)C(=O)Nc2cc(O)c(NCCCl)c(c2O)C=C(C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O,1
CCOc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-],1
CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C.[I-],1
O=Nc1ccc(O)c(C=NO)c1,0
Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)n1,0
CCOC(=O)C(NC(=O)NC)C(=O)OCC,0
c1ccc2c(Nc3ccc(Oc4ccc(Nc5c6ccccc6nc6ccccc56)cc4)cc3)c3ccccc3nc2c1,1
CC(C)Sc1ncnc2[nH]ncc12,0
CCN(CC)CCC[C@H](C)N=c1c2ccc(Cl)cc2[nH]c2ccc(OC)cc12.Cl,1
Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1,0
Oc1cccc2c1CCCC2O,0
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN)ncnc32)cc1,1
COC(=O)c1cc(C)nc2c(C)cc3[nH]c4ccccc4c3c12,1
COc1cc(C2C3=C(O)OCC3C(Nc3ccc(N(C)C)cc3)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
CC1(C)CCCN1CCC(C(N)=O)(c1ccccc1)c1ccccc1,0
COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,0
N#Cc1ccc(OC(=O)Nc2c(Br)cc(Br)cc2Br)cc1,0
C=C(CN1CCN(c2ccccc2F)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CCSC(=O)C=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,1
O=C(Cc1ccccc1)c1ccccn1,0
Nc1nc(N)nc(-c2cccc(Br)c2)n1,0
C1CN=C2CCCN2C1,0
CC(=O)N1N=C2N(Cc3ccccc3)C(=O)c3c(sc4c3CCCC4)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,0
O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2ccccc2c1,1
COCCN(CCOC)C(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)C2,1
C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccccc1,1
O=C(NN=Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1,0
CC(=NNC(=O)c1ccccc1O)C1C=Nc2ccccc2S1,1
C=CCn1c(O)c2c(c1O)CCCC2,0
COc1cc(OC)c(/C=C/c2ccnc3ccccc23)c(OC)c1,1
CC(Sc1ncnc2[nH]cnc12)c1ccccc1,0
CCN(CC)Cc1cc(Nc2c3ccccc3nc3cc(Cl)ccc23)ccc1O.Cl,1
Cc1cc(=O)cc(C)n1-c1ccccc1.Cl,0
O=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1O,0
CCOc1ccccc1-n1c(O)csc1=S,0
Oc1c2c(c(O)n1Nc1ccccc1)[C@H]1C=C[C@@H]2O1,0
CN1C(C)(C)CC(O)(C(=O)O)CC1(C)C,0
CC(C)(C)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O,1
CN(C)CCNC(=O)c1cccc2c(NC(CCC(N)=O)C(=O)O)c3ccccc3nc12,1
C=C(C)C(=O)Oc1ccc(N=Nc2ccc(C)cc2)ccc1=O,1
CCOC(=O)C1O[C@]1(C)c1ccccc1,0
COc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1,0
O=C(O)c1cccc2c1Cc1cc(Cl)ccc1-2,0
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@@H]([C@H](C)O)OC[C@@H](O)[C@@H](C)CC(=O)OC[C@@]2(C[C@@H]1O)[C@]4(C)[C@@]31CO1,1
O=C1C(=NO)CCCc2ccccc21,0
c1ccc2c(c1)Sc1ccccc1N2C[C@H]1CN2CCC1CC2,1
CCCC[Sn+2]CCCC.Cc1cccc(C(=O)[O-])c1[O-],1
CC(=O)N1CCCC2=C1CCCCCC2,0
CCCC[Sn](CCCC)(SC#N)SC#N,1
CC[C@@H]1CN1[P@]1(=O)OC[C@](C)([N+](=O)[O-])CO1,0
Nc1ccc(I)cc1Cl,0
CN(C)CC1CC/C(=C\c2ccc(Cl)cc2)C1=O.Cl,1
CC(C)NC[C@@H](O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1NC(=O)CCC(=O)O.Cl,1
Clc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1,1
O=[N+]([O-])C(C(Cl)=NCCO)C(Cl)=C(Cl)Br,1
C1CC(=NN=C2CCSCC2)CCS1,0
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=NO,0
NC(CSC(c1ccccc1)c1ccccc1)C(=O)O,0
CS(=O)(=O)Sc1ccc(Cl)cc1,1
C/C=C/Cc1ccc(O)cc1,0
NC(=O)c1cnccn1,0
CC(=O)N(c1cc(C)ccc1C)c1ccccc1[N+](=O)[O-],0
NC1CCCCC1N.O=S(=O)([O-])CCCN1CCN(CC[O-])CC1.O=S(=O)([O-])CCCN1CCN(CC[O-])CC1.[Pt+4],1
Cc1ccc(C(=O)C2C(=O)C3CC[C@H]2C3)cc1,0
CCOC(=O)/C=C/C1=C(c2ccsc2)c2ccc(OC)cc2CC1,1
COc1ccc(CC(=O)OCC(C)C)cc1,0
N#CCCCOc1ccccc1,0
CCCCc1ccc(C#N)nc1,0
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)cc1.[Cl-],1
CCCCCCCCCCCCOc1ccc(C(=NN=C(N)N)c2ccccc2)c(O)c1,0
c1ccc(CN2CCC(N3CCCC3)CC2)cc1,0
OCCCN1CCCCC1CO,0
CC(=NNc1nc2ccccc2s1)c1ccncn1,1
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@H]7O[C@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,1
CCOC(=O)c1cccc2nc3n(c12)CCC3,0
Cl.O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@H]3C=CCCCCN3[C@H]12,1
CCC1(CC)C(C#N)C(=O)NC(=O)C1C#N,0
CC1(C)C2CC[C@]1(C)C(=O)N(c1nccs1)C2=O,0
O=C(O)c1ccc(N2CC2)cc1O,0
c1ccc(OCc2ccc(COc3ccccc3)cc2)cc1,0
NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1.O=C(O)C(F)(F)F,1
COc1cccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c1,0
C=CC=Cc1oc(C)c(C(C)=O)c1O,0
C[C@H]1[C@@H](OCC(CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,1
NC(=S)NN=Cc1ccc(OC(=O)COc2ccccc2)cn1,1
CS(=O)(=O)O.Cc1cc(-c2c(F)cc3c4nn(C5CCC(N(C)C)CC5)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1,1
CC(=O)OC/C=C1/CC[C@H]2[C@@H]3CC(C)=C4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,0
O=C1C(=O)N(c2ccccc2)P(=O)(N(CCCl)CCCl)N1c1ccccc1,0
CC(C)CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C#N)cc2)c2ccccc21,0
Cc1cc(=O)n(-c2cc3cccccc-3n2)[nH]1,1
Cc1ccc(-c2noc(CC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1,0
Nc1ncnc2c(C3OC(CO)C(O)C3O)nsc12,1
COc1ccc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc1,0
Nc1nc(=O)nc(N)[nH]1,0
COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]1C2,0
Oc1ccc(C=NC2CCCCC2)cc1,0
Clc1ccc(Cc2nc3ccccc3nc2-c2cccc(Br)c2)cc1,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(=O)c4c(-c5ccc(O)cc5O)[nH]c(=S)nc4[nH]3)cc2)n1,0
CCCC[Sn+2]CCCC.O=C([O-])c1cc(F)cc(F)c1.O=C([O-])c1cc(F)cc(F)c1,1
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O,0
CCCCC(=O)NC1CC2CCC1(C)C2(C)C,0
CN(C)Cc1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc(CN(C)C)c1O.Cl,1
CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN(C)C)c3cc(O)ccc3n(c1=O)c24,1
O=C(O)c1ccccc1C(=O)Nc1ccccc1C(F)(F)F,0
CN=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C1,1
CSc1nc(=O)c2c([nH]1)N[C@@H](c1ccccc1)C1C(=O)c3ccccc3C1=N2,1
NC(CS)C(=O)O.O.[Cl-].[H+],0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCl,1
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]3C(=C[C@H](COC(C)=O)c4c3c(O)n(-c3ccc(Cl)cc3)c4O)C[C@@H]12,0
CCN(CC)CC(O)c1ccc(F)c2ccccc12,0
CNC(=O)Oc1cc2c(cc1C(C)(C)C)CCC2,0
Cc1cc(C(=O)C(C)C(=O)C(F)(F)F)c(C)s1,0
Cc1cccc(C)c1NC(=O)C1CCCCN1C.[Cl-].[H+],0
CCCCCCCCOC(=O)Nc1ccc(OCC)cc1,0
Br.CN(C)CC(C)(C)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)CN(C)C)cc1,1
Cc1ccc(O)c(C(C)c2ccccc2)c1,0
O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1nnc(C(F)(F)F)s1,1
O=C1NC(=S)NC(=O)C1=Cc1cccc2cc3ccccc3cc12,1
ON(CCc1ccccn1)CCc1ccccn1,0
C=C(CN1CCN(c2ccccc2OC)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CC[O-].CC[O-].O=Nc1ccc2cc([O-])ccc2c1.O=Nc1ccc2cc([O-])ccc2c1.[Ti+4],1
CC(C)=NNC(=O)c1ccc([N+](=O)[O-])cc1,0
COc1ccc(NC(=S)c2ccc([N+](=O)[O-])o2)cc1,1
CN(Cc1ccccc1)CC(O)CN(C)Cc1ccccc1,0
CCOP(=O)(C=C=C1CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C)OCC,1
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)O,1
COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccccc1Cl,1
CCNC(N)=O,0
CC[C@@H]1CN1P(=S)(N1C[C@H]1CC)N1C[C@H]1CC,0
CCOP(=O)(OCC)C(O)c1ccccc1Cl,0
CCOC(=O)C(=Cc1ccc(Oc2ccccc2)cc1)C(=O)OCC,1
O=c1cc2cccc(O)c(=O)c2c(O)o1,0
O=C(O)C1(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1,0
CC(C)(C)c1ccc(S(N)(=O)=O)cc1,0
O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1,1
Nc1nnc(-c2cccnc2)s1,0
COc1cc2c(cc1OC)[C@@H]1CCN3C(=O)CC[C@H]3N1CC2,0
COc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(C)cc2)CC1,0
CCN(CC)c1nc(NNC(=O)c2ccccc2)nc(N(CC)CC)n1,0
Oc1cc(Cl)cc2cc(Br)cnc12,1
COc1ccc(C(=O)c2ccc(Cl)cc2)c(OC)c1OC,0
C.CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)N2.O=S(=O)(O)CCO,1
Cc1cc2cccnc2c2ncccc12,1
CCO[C@@H](OC(C)=O)[C@@H]1C=C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)O1,1
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@@H](C)[C@H](O)[C@](C)(O)[C@@H]3O)c21,1
Cc1ccc(NC=O)cc1C,0
O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)o1,1
Br[C@@H]1c2cccc3cccc(c23)[C@@H]1Br,0
COc1ccc(OC)c(-n2c(O)cc(-c3nc4ccccc4s3)c2N)c1,0
Cc1c2ccccc2c(C)n2c1nc1cc3ccccc3cc12,1
O=C(/C=C/c1ccccc1)NC(=S)Nc1ncccn1,0
COc1ccccc1[C@@H](C(C(=O)c1ccccc1)N1CCOCC1)N1CCOCC1,0
COc1ccc(OC)c(/C=C2/CCc3ccccc3C2=O)c1,1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,1
O=C(c1cccnc1)N1CCOCC1,0
OC1(c2ccccc2)OC(C#Cc2ccccc2)(c2ccccc2)c2ccccc21,1
CC(=O)O.CCC1CCC2C3CC=C4CC(OC(C)=O)C(N)CC4(C)C3CCC12C,1
Nc1nc(N)c2cc(Sc3ccc(Cl)cc3)ccc2n1,1
O=C(c1cccc(C(=O)N2CC2)c1)N1CC1,0
CC1CN(Cc2ccccc2)C(=O)NC1=O,0
CC1=C\[C@@H](C)C[C@]2(C)CC[C@H](O2)[C@]23CC[C@](CO)(C[C@H](O2)C2O[C@@](C)(CC2=O)[C@@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)C(C)C(=O)O[C@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@@H]5O)O[C@H]4/C=C/1)O2)O3,1
CCCCCN(CCCCC)CC(O)c1cc2c(c3ccccc13)CCCC2,1
CO[C@H]1[C@@H](C)/C=C(/C)[C@@H](OC(N)=O)[C@H](OC)/C=C\C=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H]1OC,1
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1cccc(O)c1,1
Cc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1,1
CCOc1ccccc1C(=O)OCC(Cl)(Cl)Cl,0
CCC1(O)C(=O)OCc2c1c(Cl)c1n(c2=O)Cc2cc3ccccc3nc2-1,1
CCOC(=O)c1sc2[n+](c1C)C(=O)/C(=C/c1ccccc1Cl)S2.[Cl-],1
Nc1[nH]c(=S)nc2oc(-c3ccccc3)c(-c3ccccc3)c12,0
Cc1c(Br)cc(Br)cc1Br,0
CC(=O)N(CCc1ccncc1)CCc1ccncc1,0
O=C1CSCc2nc3ccccc3n21,0
CCOc1ccc(C(C)=O)cc1,0
COc1ccc(Cl)cc1-c1cn(-c2cc(OC)c(OC)c(OC)c2)c(=O)[nH]1,0
BrCC(Br)CBr,0
COc1cccc2nc3c(C(=O)NCCN(C)C)cccc3cc12.Cl,1
COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1,1
O=C(O)Cn1c(O)csc1=S,0
O=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]1,0
CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@@H]1C2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)CO,0
CCCC(C)COC(=O)Cc1ccccc1,0
O=[N+]([O-])c1ccc2c(c1)c(N=NC(=S)NC1CCCCC1)c(O)n2CN1CCOCC1,1
COc1nc2cccc([C@H](O)c3ccccc3)c2nc1-c1ccccc1,1
Cc1cc(Cl)nc(Cl)n1,0
NC(=O)C1[C@@H](c2ccccc2)[C@@H]2C=C[C@H]1C2,0
O=c1[nH]cnc2c1ncn2-c1ccc(N(CCO)CCO)cc1,0
N#Cc1ccc(OC(=O)Nc2c(Cl)cccc2Cl)cc1,0
CCCNC(=O)c1ccccc1C(=O)NC1(C(=O)NCCC)CCCC1,0
COC(=O)Cc1cccc2ccccc12,0
Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1,0
COc1ccc(C=C[N+](=O)[O-])cc1,1
Cc1cc2c(cc1C)NC(=O)CC(=O)N2,0
N=C1C(=O)c2cccnc2C(=O)C1Br,1
COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1OC,1
O=c1cc(Cl)c(=O)[nH][nH]1,0
C[As](C)SC(CC(=O)O)C(=O)O,1
O=C(/C=C/c1ccccn1)c1ccccc1,1
CCCCCC[C@H](C)NC(=O)c1ccc(Nc2nc3ccccc3c3occc23)cc1,1
CN(N=Nc1[nH]cnc1C(=O)NN)C1CCCCC1,0
O=C(O)c1ccccc1C(=O)Nc1ccc(Cl)cc1,0
COc1ccc2c(c1)cn1c3ccc(OC)cc3[nH]c(=O)c21,1
COc1cc(C(=O)NC2CC2)cc(OC)c1OC,0
COc1ccc(Nc2nc3ccccc3c3occc23)cc1,1
Cl.O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Sc2scc(-c3ccc(O)c(O)c3)[n+]21,1
O=C(O)C(F)(F)F.O=C1c2ccc([N+](=O)[O-])cc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2,1
CN(C)c1nc(NNC(=O)c2ccccc2)nc(N(C)C)n1,0
Cc1ccc([C@]2(c3ccc(Cl)cc3)c3ccccc3C3=NCCN32)cc1,1
O=C1C(=Cc2ccc(Cl)cc2)CSCC1=Cc1ccc(Cl)cc1,1
Cl.O[C@@H](CN1CCC[C@@H]2CCCC[C@H]21)c1cc2ccccc2c2ccccc12,1
Cc1cc(C)c(C(=O)CC(=O)c2cccnc2)c(C)c1,1
CC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1,0
O=C(O)c1ccc(I)cc1,0
CC(=O)CC(C)=NCCN=C(C)CC(C)=O,0
C1CN1c1nc(N2CC2)nc(N2CC2)n1,1
CCOC(=O)Cc1cc(=O)[nH]n(-c2ccccc2)c1=O,0
CCOC(=O)c1cccc(NC(=O)CBr)c1,1
CCOC(=O)C(Cl)Cc1ccccc1,0
Cc1nc(=O)c2[nH]c(=O)[nH]c(=O)c2[nH]1,0
O=C1/C(=C/c2ccccc2)CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C/C1=C\c1ccccc1,1
COc1c2nc(CCl)n(C)c(=O)c2c(OC)c2c(=O)n(C)c(CCl)nc12,1
CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.[Cl-].[H+],0
Cc1ccnc2c1C(=O)C1=C(OC(C)(C)C[C@H]1O)C2=O,1
N#Cc1ncnc2[nH]cnc12,0
N=C(N)NS(=O)(=O)c1ccc(N)cc1,0
CN(C)Cc1ccc[nH]1,0
C=CC(=O)N1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1,1
CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]cc(C)c24)n(C)c1,1
CC(=O)c1cc2c(cc1C)C(C)CCC2(C)C,0
COc1cc(-c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc(OC)c1OC,0
CCOC(=O)C=Cc1cc2cc(-c3csc4ccccc34)ccc2[nH]1,1
C[SH](C)Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1,0
CC1=C(C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@H]2Nc3ccccc3N(C)[C@@H]2O1,1
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCO)c2c1,1
COc1cc(CCN=C2CC(=O)c3cccnc3C2=O)ccc1O,1
C=C(C)COC(=O)C1C[C@@H]2O[C@@H]2CC1C(=O)OCC(=C)C,0
N=C(N)NN=Cc1cccc(Cl)c1Cl,1
Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1C,0
COc1cc(NS(C)(=O)=O)ccc1N,0
Cc1nc2c(O)c(O)c3c4cccc(O)c4n(C)c3c2nc1C,1
CN(C)c1ccc(C=C(C#N)c2ccccc2)cc1,1
COc1cc(C=Cc2ccc(Br)cc2)cc(OC)c1OC,1
Cc1ccc(C)c(O)c1,0
CCOP(=O)(OCC)O[C@@H]1c2[nH]cc(C(=O)OCc3ccccc3)c2-c2cc(C(=O)OC)[nH]c2[C@@H]1OC,1
CCN(CC)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.Cl,1
CCC(ON=C(C)C)C(=O)O,0
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cc(C(F)(F)F)[nH]n3)CC[C@@H]12,1
COC(=O)c1cccc2c(C(=O)O)cc(-c3ccccc3)nc12,0
O=C(Nc1cccc(Cl)c1)c1cc2ccccc2cc1O,1
Cc1cc(=O)oc2c(C)cc(C(C)(C)C)cc12,0
Cc1cc2c(cc1C)N(C(=O)CCl)CC(=O)N2,1
O=[N+]([O-])c1ccc(C2=NCCO2)cc1,0
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1,1
C1=Nc2c3c(ccc2=CC1)=CCC=N3.Cl.Cl.Cl.Cl.[Ru+6].c1cnc2c(c1)ccc1cccnc12,1
O=Nc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.[Na+],0
OCCc1nccnn1,0
O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,1
NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,0
C1=CC2CC1CC2C1CO1,0
CN(C)CCn1c(=O)c2ccc(NCCCN(C)CCCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccccc6c(=O)c3c45)c3c(=O)c4ccccc4n(c1=O)c23,1
CNC(=O)Nc1ccncc1,0
CCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O,0
Cc1cc(N)ccc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1,1
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc3c(c12)NC(=O)C(CC(=O)O)O3,0
C#CCN=C(NN)NS(=O)(=O)c1c[nH]ccc1=S,0
CCN(CC)c1c(C(=O)/C=C/c2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O,1
CC(C)=C(c1ccc(Cl)cc1)c1c(N)ncnc1N,0
COc1cc2c3c(n(CCCNCCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
Cc1cc(=O)[nH]c(NN=Cc2ccccc2O)n1,1
O=C(O)c1ccccc1C(=O)c1ccc2oc(=O)[nH]c2c1,0
Cc1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1,1
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0
COc1ccc2c(c1)O/C(=C\c1cccc(OCC(=O)Nc3nc4c(s3)CCCC4)c1)C2=O,1
S=C1Cc2c(-c3ccc(Br)cc3)cc(-c3ccccc3)nc2-c2ccccc2N1,1
ClCc1ccc(-c2ccc(Cn3cnc4c(Cl)ncnc43)cc2)cc1,1
OCCNc1ccccc1,0
COc1cc2c3c(n(CCCN(CCN)CCCn4c5c(c6cc(OC)c(OC)cc6c4=O)C(=O)c4cc6c(cc4-5)OCO6)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
O=C1c2c(Br)sc(Br)c2[C@@H](NC(=O)C(F)(F)F)C1Br,1
CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@@]1(C)C(=O)C(=O)C3C(C)[C@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)c1ccc(OC(C)=O)cc1)CC2,1
CC[C@H](C)NC(=S)NN=C(C)c1nc2cccnc2[nH]1,1
CCCCC#Cc1c(I)n(C)c(=O)[nH]c1=O,1
Cc1cc(Cl)ccc1N=C(N)N.O=C(O)O,0
O[C@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,0
COc1cc2c(cc1OCCCCOc1cc3c(cc1OC)C(=O)N1CCCC1C(=O)N3)N=CC1CCCN1C2=O,1
COc1ccc2[nH]cc(C=C(C)c3ccncc3)c2c1,1
C=CN1C(=O)NC(C)(CC(C)C)C1=O,0
CC(=O)OC[Si](C)(C)c1ccccc1,0
Clc1cccc(Cl)c1N=C1NCCS1,0
O=C(O)C1C(C(=O)O)C23CC2(C(=O)O)C2(C(=O)O)CCC3=C3CCCC312,1
COc1ccc(C(Cl)=C(C=O)c2ccc(Cl)c(Cl)c2)cc1OC,1
CN1CCC(N)(C(=O)O)CC1,0
O=C(C=Cc1ccccc1F)C(c1ccccc1)c1ccccc1,1
CN1CN(C)C(c2ccncc2)=C1c1ccncc1,0
COc1ccc(CN(N=O)c2ccc(C(=O)O)cc2)cc1,0
Nc1ccccc1-c1nc2ccncc2[nH]1,0
COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCN(C)C)CCN=1,1
Cc1c(C(=O)c2ccccc2)c2ccccc2n1C,0
COC(=O)C1(C(=O)OC)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1,0
CCCCCN(CCCCC)CC(C)(C)C(O)c1ccc(OC)c2ccccc12,1
COc1ccc2cc(CN3CCC(C4CCNCC4)CC3)ccc2c1.Cl,1
Cc1cc2c3c(nc4ccccc42)C(=O)c2ccccc2-c3n1,1
Oc1cccc(NC(=S)Nc2ccccc2)c1,0
N#CC(c1cc(Cl)ncn1)c1nc2ccccc2s1,1
CC(Br)C(=O)c1ccccc1,0
Cl.N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,0
CCOC(=O)CCN(CCC(=O)OCC)c1ccccc1,0
COc1ccc(-c2nnc(N)s2)cc1OC,0
CC(C)(O)Cc1ccccc1,0
O=C1OC(=O)c2c(I)c(I)c(I)c(I)c21,0
COc1ccc(C=O)cc1OC,0
CC(C)c1ccc([C@H](C(C(=O)c2ccccc2)N2CCOCC2)N2CCOCC2)cc1,0
CCOC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
C[As](C)S[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O,1
COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1O,1
CC1C=C(Cc2ccc(O)c(O)c2)C(=O)C(=Cc2ccc(O)c(O)c2)C1,1
COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC,1
Cc1cc(=O)oc2c3c(ccc12)O[C@@H](c1ccc(Br)cc1)CC3=O,1
COc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=Nc3c(N)ncnc3N2)cc1,0
N#Cc1ccc2[nH]cnc2c1,0
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H]([S+]([O-])CCN(C)C)CC(=O)O1,1
COc1ccc2oc(N)nc2c1,0
CCCC(C)NC(=O)c1ccc(OCC)cc1,0
O[C@H](COc1ccccc1Cl)CN1CCCC1,0
COC(C(=O)C(O)C(C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)C1O[C@H]1C[C@H](O[C@H]2C[C@H](O[C@H]3C[C@H](O)[C@H](OC)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1,1
Cc1csc(SCc2nc(=O)c3c(C)c(C)sc3[nH]2)n1,0
O=P1(O)CC2=C(CC=CC2)C1,0
CCOC(=O)c1cc(C)nnc1C(=O)OCC,0
CCOC(Cc1c(N)[nH]c(=S)[nH]c1=O)OCC,0
CC1CC(C)(C)C2=NCCN21,0
COc1ccc2c(c1)CC/C(=C\c1cccc(OCC(=O)Nc3nc4ccccc4s3)c1)C2=O,0
Brc1ccsc1Br,0
OC[C@H](O)CN1CCCCC1,0
Nc1nc(Cl)cc(NCCCCNc2cc(Cl)nc(N)n2)n1,0
O=c1cc(Cl)c(=O)[nH][nH]1,0
COc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1,1
CC(C)c1ccccc1NC(=O)N1CCC(C(C)C)CC1,0
Cc1c(CC(=O)O)c(=O)n(-c2ccccc2)n1C,0
O=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1,1
CCOC(=O)C(CCC#N)(CCC#N)C(C)=O,0
Cc1ccnc2[nH]c(-c3ccc4ccccc4c3)cc(=O)c12,1
CCOc1cc2c(OCc3ccccc3)cc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC.CS(=O)(=O)O,1
O=C1c2cccc([N+](=O)[O-])c2C(=O)c2nccnc21,1
N#Cc1c(-c2ccccc2)cc(-c2ccc(Nc3nc(Nc4ccc(Cl)cc4)nc(Nc4ccc(Cl)cc4)n3)cc2)nc1N,1
O=[N+]([O-])C(=Cc1ccccc1)c1ccccc1,0
COc1cccc([C@H]2SCC(=O)N2NC(=O)c2ccc(C)nc2)c1,0
CC(=O)Nc1nc(N)nc(NC(C)=O)c1N=O,0
Cc1c2c(cn1C)CCc1c[nH]c(=O)nc1-2,0
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccncc1,0
CCNS(=O)(=O)NCC,0
CN(C)S(=O)(=O)c1cccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1,1
Nc1ccc2c(c1)C(=O)c1ccc(N)cc1-2,0
CC(=O)Nc1ccc(-c2c3nc(c(-c4cc5ccccc5[n+](C)c4)c4ccc([nH]4)c(-c4ccc(NC(C)=O)cc4)c4ccc([nH]4)c(-c4cc5ccccc5[n+](C)c4)c4nc2C=C4)C=C3)cc1.[Cl-],1
CCCCCCCCC(C=O)=Cc1ccccc1,0
c1ccc2c(c1)C1=NCCN1c1ccccc1-2,1
CC(=O)OC1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@@H]1c1ccccc1,1
CCOC(=O)C(=O)C(C#N)c1ccc(C)cc1,0
C=CC(=O)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1,1
O=C(O)C(=Cc1ccc(Br)cc1)C(=O)O,0
COC(=O)C=C(C(=O)OC)c1c[nH]c2ccccc12.C[PH2](C)C.C[PH2](C)C.C[PH2](C)C.Cl.[Ir+5],1
O=c1c2cccnc2[nH]c2ccc3scnc3c12,1
COC(=O)c1ccccc1O,0
[Cl-].[H+].c1ccc([C@H]2CN3CCSC3=N2)cc1,0
O=C(/C=C/c1cccc(Cl)c1)c1ccc(Cl)cc1Cl,1
Cc1ccc(C(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-],1
CN(C)CCCN1CCC2(CCC(C(C)(C)C)CC2)CC1,1
CCCN=C(NC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NCCC)cc3)cc2)cc1.Cl,0
Cc1ccc2c(=O)cc(-c3cccc4ccccc34)[nH]c2n1,1
CC(O)CCNC(C(=O)c1ccccc1)c1ccccc1,0
COc1cc([C@H]2CC(c3cc(OC)c(OCCCOc4ccc(-n5c(/C=C/c6ccccc6)nc6ccccc6c5=O)cc4)c(OC)c3)=NO2)cc(OC)c1OC,0
COc1ccc(C(=O)O)cc1[N+](=O)[O-],0
Cc1cc2c(s1)CCC[C@H]1CC(=O)N(CN3CCN(c4ccccc4F)CC3)N=C21,0
COc1ccc2ccccc2c1C=CC(=O)c1ccccc1,1
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](CO)N(C)CC/C=C(\C)CCC=C(C)C,1
CC(C)(CO)NCc1ccc(Cl)cc1,0
N#CNc1nc(=O)cc(O)[nH]1,0
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C(C)=O)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1,0
COC(OC)c1ccccc1,0
FC(F)(F)COCC(F)(F)F,0
N=C(NN=Cc1ccccc1)C(=N)NN=Cc1ccccc1,0
CCOC(=O)C(CCC(=O)OC)C(=O)OCC,0
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3ccccc32)cc1,0
O=C(O)c1ccccc1/C=C\c1ccccc1,0
CC[C@@H](C)SC1=NC=NC2=NC=N[C@@H]21,0
OC[C@H]1O[C@@H](Oc2c(Br)cc(Br)cc2Br)[C@@H](O)[C@@H](O)[C@H]1O,0
CC12CCC(C(=Nc3ccc(N=C4C(=O)C5(C)CCC4C5(C)C)cc3)C1=O)C2(C)C,0
Cc1cc2c(c3oc([C@@](O)(CO)[C@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O,1
CCOP(N)(=S)OCC,0
COc1cc2ccnc(-c3c4ccccc4c(N)c4c(OC)c(OC)ccc34)c2cc1OC,1
CCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCC,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](NC3CCN(Cc5ccccc5)CC3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CCOC(=O)c1c(-c2ccccc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
O=C(N[C@H]1CCCCCC[C@H]1O)c1ccccc1,0
N#Cc1c(NCc2ccccc2)nc(NCc2ccccc2)c(C#N)c1-c1cccc(O)c1,1
CCCn1c(=S)[nH]c2ccccc2c1=O,0
CC(=O)Oc1ccc(C2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(C)c1,1
c1ccc(CC(Cc2ccccc2)c2ccccn2)cc1,0
COc1ccc2c(c1)c(-c1ccc(-c3cn(C)c4ccc(OC)cc34)[nH]1)cn2C,1
N#Cc1c(Br)n(C2OC(CO)C(O)C2O)c2ncnc(N)c12,1
CCOC(=O)CN(c1sc(C)c(C)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,0
NNC(=O)CCCCl,0
Cl.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3,1
Fc1ccccc1CSc1ncnc2[nH]cnc12,0
CCP1(=O)N(CC(C)(C)C)[C@@H](c2ccccc2)C[C@H](c2ccccc2)N1CC(C)(C)C,1
COc1ccc2c(c1)c(=O)c1c(=NCCN(C)C)ccc3c(O)n(CCN(C)C)c(=O)n2c31.Cl,1
C=c1c(C(=O)CCCCC(=O)OC)c(C)[nH]c1=Cc1[nH]c(-c2ccc[nH]2)cc1OC.Cl,1
O=C(CC(O)(c1ccccc1)c1ccccc1)Nc1ccccn1,0
CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(OCC(F)(F)F)cc12,1
COc1cccc2c1-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O.Cl,1
CS(=O)(=O)NC1CCCCC1,0
CNC(=O)Oc1cccc(C(F)(F)F)c1,0
CS(=O)(=O)O.Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)C(N)CCCCN)c(F)c3)oc2c1F,1
O=C1/C(=C/c2ccccc2)CCc2ccc(Cl)nc21,1
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(O)C(O)C(O)C(=O)C(O)CO,1
CCOc1ccccc1C=C1c2ccccc2C(=O)c2ccccc21,1
CN(Cc1nc2c(N)nc(N)nc2nc1N)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,1
Cc1nnc2c3ccccc3ccn12,0
CC(C)(C(N)=O)N1CCN(c2ccc(Cl)cc2)CC1,0
O=C(O)CSC1(SCC(=O)O)CCCCC1,0
O=C(SC(=O)c1ccccc1)c1ccccc1,0
CCOc1ccc(N(CCCl)CCCl)cc1,1
CC(=O)Nc1n[nH]c(=S)s1,0
O=[N+]([O-])C=Cc1ccc(Cl)c(Cl)c1,1
Nc1nc(=O)c2ncn(-c3ccccc3)c2[nH]1,0
COc1cc(C(=O)CCN2CCCCC2)ccc1O,0
CC(C)=C1OC(=O)C1(C)C,0
CC(=O)N(C(C)=O)c1ncn(C)c1S(=O)(=O)Nc1ccccc1,0
CCOC(=O)c1ccc(NC(C)=O)cc1,0
Cc1ccc2c(c1)-c1c(C#N)c(N)nc(-c3ccc(Cl)cc3)c1CCS2(=O)=O,1
c1ccc(NCc2ccco2)cc1,0
O=[N+]([O-])c1ccc(Oc2ccccc2)cc1,0
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Na+],0
COc1ccc(/C(Cl)=C(\C=O)c2ccc(Cl)cc2)cc1,1
C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,1
N#CC1(NC2CCCCC2)CCN(Cc2ccccc2)CC1,0
O=c1[nH]c(O)c(C2CCCCCC2)c(=O)[nH]1,0
Cc1ccc(-n2cnc3c(NN=c4scc(O)n4-c4ccccc4)ncnc32)cc1,1
CCN(CC)c1ccc2c(c1)N=C1N=CC=CN1C2(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1,1
C[As](C)SC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,1
O=c1c2ccccc2sc2c(CO)ccc(NCCN3CCCCC3)c12,1
Cc1nnsc1C(=O)NCc1c(F)cccc1Cl,0
CCOC(=O)c1c(N2CCOCC2)[nH]c(=O)c(C=Nc2cccc(Cl)c2)c1O,0
O=c1cc(C=Cc2ccc(O)c(O)c2)oc(C=Cc2ccc(O)c(O)c2)c1,1
CCOC(=O)[C@]1(Br)CC[C@]1(Br)C(=O)OCC,0
CN(C)CCNC(=O)c1ccc(Cl)c2ccc(-c3ccccc3)nc12.Cl,1
O=C(Nc1c[nH]c(=O)[nH]c1=O)OCc1ccccc1,0
N#CC1C(=O)NC(=O)CC12CCCCC2,0
Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCCC2)CC1=Cc1ccccc1,1
Oc1csc(=S)n1N=Cc1ccc(Cl)s1,0
Cl.NCCc1ccc2c(O)c3c(c(O)c2c1)C(=O)C=CC3=O,1
CCn1c2ccc(C(=O)CCCN3CCCCC3)cc2c2cc(C(=O)CCCN3CCCCC3)ccc21,1
COc1ccccc1N=C(N)NN=Cc1c[nH]c2ccccc12.I,1
CS(=O)(=O)O.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCOCC3)c12,1
CC(=O)N1C(=O)[C@@]2(NC[C@@H](C)N2)c2ccccc21,0
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,0
CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC,0
COc1ccc2c(=O)cc(-c3cccnc3)oc2c1OC,0
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)C(O)CO)c2cc1C,0
Nc1c(Cl)ncnc1NCCCCCCCCCCCCNc1ncnc(Cl)c1N,1
C=C1C(=O)O[C@H]2[C@H]3O[C@@H](C[C@@H]12)[C@@]1(C)CC[C@H](O1)C(C)=CCC[C@H]3C,1
Oc1cc(Cl)cc2cccnc12,1
CC(NC(=O)OCc1ccccc1)C(=O)O,0
CCCCCC[C@H](C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1.Cl,0
CC(=NNc1nc2ccccc2o1)c1ncccn1,1
COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl,1
Cl.N=C(N)N/N=C/c1c(-c2ccc(Cl)cc2)nc2sccn12,1
COC(=O)C(N)CSCc1ccccc1,0
CC(=NNC(=S)N(C)C)c1ncc[nH]1,1
COC(=O)C(C)CN1CCCCCC1,0
Clc1ccc2nc(CI)c(CI)nc2c1,1
CN1C(=O)NC(=O)C2(CCCC2)C1=O,0
O=C1Cc2c(-c3ccccc3)cc(-c3ccc(Cl)cc3)nc2-c2ccccc2N1,1
COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCNCC(C)O)c2cc1OC,1
Cn1c(N)c(C(=O)/C=C/c2ccccc2)c(=O)[nH]c1=O,0
COc1cccc(CCNc2c(C#N)c3n(c4ccccc4[n+]3C)c3ncccc23)c1.Cc1ccc(S(=O)(=O)[O-])cc1,1
CC(C)(C)OC(=O)N1C[C@@H](CCl)c2ccc(O)cc21,1
Nc1n[nH]c(=O)c2c1c(I)cn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,1
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(N)C(=O)O.Cl,1
Nc1nc(Sc2ccc([N+](=O)[O-])c3nonc23)c2ncn(C3OC(CO)C(O)C3O)c2n1,1
Nc1nn2c(C(Br)Br)cc(C(Br)Br)nc2c1[N+](=O)[O-],1
CCC1C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2OC1N1CCOCC1)OCO3,1
N#CCCCC1(CCCC#N)OCCO1,0
CCCC(=O)CC(=O)c1cccs1,0
COC(=O)C1=C(OC(=O)c2ccccc2)C(C(=O)OC)[C@@H]2C[C@@H](c3ccccc3)C(C(=O)OC)[C@@]1(O)C2C(=O)OC,1
CC(=O)c1ccc(O)cc1,0
CC(=O)NC1CCC(=O)C=C1c1ccccc1,0
CCCCCCCC[Sn+2]CCCCCCCC.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12,1
CN1CCC[C@H]1CN1CCCC1,0
Cn1cnc2nc(Cl)nc(Cl)c21,1
CCCCCOC(=O)N1CCCCC1CCC,0
CC(=O)OC[C@H]1O[C@H](Oc2cc(C)c(O)cc2C=CC(C)CCC=C(C)CC(=O)CC(C)C)[C@@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,1
O=[N+]([O-])c1ccc(S[C@@H]2[C@H]3c4c(-c5ccccc5)[nH]c(-c5ccccc5)c4[C@@H]2C[C@H]3Cl)cc1,1
COc1cc2c(C=C3C(=O)Nc4ccc(O)cc43)c(Cl)n(C)c2cc1C,1
COc1ccc(C=NCCN=Cc2ccc(OC)cc2)cc1,0
O=C(NN=Cc1ccccc1O)c1ccccc1O,1
O=C(O)c1cc(O)[nH]c(=O)c1,0
Cl.O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CN(C(=O)CCN2CCOCC2)C/C1=C\c1ccc(Cl)c(Cl)c1,1
O=c1c2ccccc2nnn1-c1ccccc1,0
COc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC,0
CC(=O)C(=NNc1ccc(S(=O)(=O)c2ccc(NN=C(C(C)=O)C(C)=O)cc2)cc1)C(C)=O,0
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],0
CN(C)/N=N/c1ccccc1Cl,0
C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(=O)CO,0
CCCCn1c(N)c(N(CC)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O,0
Nc1onc(CCCO)c1-c1nc(=O)c2ccccc2[nH]1,0
COC(=O)c1csc(-c2ccc(CO)o2)n1,0
N#CC(C#N)=Cc1cccc(Cl)c1,0
C=CCOC(=O)c1ccccc1O,0
Clc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)c(Cl)c1,1
O=[N+]([O-])c1ccc(/C(=N/c2ccccc2)N2CC2)cc1,0
O=Cc1nc(Cc2ccccc2)oc1O,0
CO[C@@H]([C@H](C)[C@H]1OC(=O)/C=C/[C@H]2O[C@@]2(C)C[C@@H](OC)[C@@H](OC)C2=CC(=O)O[C@@H]([C@@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](O)C[C@H](OC)/C=C/[C@@H]1C)[C@H]2O)[C@H](C)CCC(=O)C(C)[C@@H](C/C=C/N(C)C=O)OC,1
COc1cc(C)ccc1C(=O)c1ccc(C)cc1OC,1
Cc1cc(=O)nc2sccn12,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CO)CC1OC1CC(N2CCOCC2C#N)C(O)C(C)O1)C3=O,1
Cc1cn(C(C)C)c(=O)n(-c2ccccc2)c1=O,0
O=C(NC1CCCCC1)c1ccccc1Cl,0
CC(C)c1cc(CN2[C@H](C)COC[C@H]2C)cc(C(C)C)c1O,0
CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1,0
Clc1nc(Oc2ccccc2)nc(-c2cn(-c3ccccc3)c3ccccc23)n1,1
Oc1oc(O)c2c1CCCC2,0
COc1ccc(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1,0
O=c1cc(-c2ccccc2)[nH]c2ccc(N3CCCC3)cc12,1
CCOC(=O)NN[C@@]1(SC)NC(=O)c2c(cc(Cl)oc2=O)O1,1
Br.O=c1c(O)cccn1CCCN(CCCn1cccc(O)c1=O)CCn1cccc(O)c1=O,1
CC(=O)CS(C)(=O)=O,0
CCOC(=O)c1[nH]c2c(OCC)nc(OCC)nc2c1Br,0
C[Si](C)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,0
NC(=O)C(c1ccccc1)N1CCCC1,0
COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1,0
O=C(/C(Cl)=C/c1ccccc1)c1ccccc1,1
CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1NNC(C)=O,0
CCCC[Sn+2]CCCC.[O-]C[C@@H]([O-])Cc1ccccc1,1
O=C1OC2CCCC1CC2,0
O=[N+]([O-])C=Cc1c(Cl)cccc1Cl,1
CCCCCCCCCC(=O)N1CCOCC1,0
O=[N+]([O-])c1ccc2c(c1)/C(=N/N=C1/c3cc([N+](=O)[O-])ccc3-c3c1cc([N+](=O)[O-])cc3[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,1
O=C1C(CO)=C(CO)C(=O)c2c(O)ccc(O)c21,1
CN(N=Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1N,0
Cc1cc(=O)[nH]c(N)n1,0
Cc1cc2c3c([nH]c2c2ccnc(C)c12)CCCC3,1
O=c1cc(-c2cccc(Br)c2)[nH]c2cc3c(cc12)OCO3,1
Nc1c(Cl)cc(S(=O)(=O)O)cc1Br,0
CSc1nc(=O)c(Nc2cccc(Cl)c2)c(O)[nH]1,0
CC(C)(C)c1cc(C=C(C#N)C2=NCCO2)cc(C(C)(C)C)c1O,1
COc1ccc(Cc2cc(-c3ccccc3)n[nH]c2=O)cc1,0
CN(N=O)C(=O)NC(N)=O,0
Nc1ccc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1,0
C=C(C)COc1cc(C)c(Cl)cc1Cl,0
Cl.Oc1cccc(-c2ccc3c4c2O[C@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)c1,1
C=C[C@H](O)C(C)C(=O)O,0
O=C1NC(=O)C2(CCCc3ccc([N+](=O)[O-])cc32)N1,0
CCC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(C)cc2[n+]1[O-],1
N=C(N)NCCCC(N=Cc1ccccc1)C(=O)O,0
O=[N+]([O-])c1cccnc1S(=O)(=O)c1ccccc1,1
CC1(C)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2(C(=O)CO)O1,0
CC(=O)c1ccc2cc3c(cc2c1)OCO3,0
I[Bi](I)I,0
O=C1NCC(Br)C(=O)N1,0
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O,1
CN1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1.Cl,1
CCCC[C@H]1c2c([nH]c3ccccc23)-c2c(c(O)n(-c3ccc(OC)cc3)c2O)[C@H]1CCC,1
O=C(O)C[C@@]1(c2ccccc2)OC(=O)c2ccccc21,0
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2[nH]1,0
CC1(C)OC[C@@H]2OC=CC(=O)C2O1,0
NCCNc1c2c(c(NCCN)c3[nH]ccc13)C(=O)c1ccccc1C2=O,1
C/C(CC(O)(C(F)(F)F)C(F)(F)F)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1
Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1,0
Nc1cc(CO)cc(Nc2nc3ccc(Cl)cc3c3[nH]c4ccccc4c23)c1,1
O=[N+]([O-])C(Cl)=C(C(Cl)=C(Cl)Cl)N1CCOCC1,1
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](c4ccoc4)OC(=O)C4O[C@]43[C@@]21C,1
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,1
Cc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1,0
N#CC(C#N)=Cc1ccc2ccccc2c1,0
CC1CCN(C(=O)c2ccccc2)CC1,0
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)CCCC[C@H]([C@H](C)O)OC[C@@H](O)[C@]5(C)OC5C(=O)OC[C@]2(C[C@H]1O)[C@]4(C)[C@@]31CO1,1
CC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1,1
O=C(O)C(c1ccccc1)C1(O)CCCCCC1,0
Cl.NCCCN1CCN(CCCN=c2ccc3ncn4c5ccccc5c(O)c2c34)CC1,1
O=c1ncn(C2CCCCC2)c(=O)[nH]1,0
O=P(OC[C@H](O)CO)(OC[C@H](O)CO)C(c1ccccc1)(c1ccccc1)c1ccccc1,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)c([N+](=O)[O-])c1,1
Cc1ccc2[nH]c(O)c(N=Nc3ccccc3[N+](=O)[O-])c2c1,1
[O-][S@+](c1ccccc1)C(c1ccccc1)c1ccccc1,0
Nc1[nH][nH]c(=O)c1N=Nc1ccccc1,0
COc1cccc(C=NNc2ccc([N+](=O)[O-])cn2)c1O,1
CC(C)Oc1c(C(=O)O)cccc1[N+](=O)[O-],0
CN(C)CCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12,1
O=C(C#Cc1ccccc1)C1=Cc2ccccc2OC1,1
C=CC(C)=c1cc(O)c2c(=C)cc3c(=O)c4c([C@H]5C[C@H](N(C)C)[C@H](O)[C@@H](C)O5)cc([C@@H]5C[C@@](C)(N(C)C)[C@H](O)[C@@H](C)O5)c(O)c4c(O)c3c2o1,1
CC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)Nc1ccccc1C,0
NC(=O)NN=C(C1CC1)C1CC1,0
COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1OC,1
CC(C)=C(c1ccc(Cl)cc1)c1ccccc1Cl,0
CNc1ccc(CSc2ccccc2)cc1,0
c1ccc(-c2nc3ccccc3[nH]2)c(OCCCCCOc2ccccc2-c2nc3ccccc3[nH]2)c1,1
CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCCc1ccc([N+](=O)[O-])cc1,1
NC(=S)NN=Cc1ncccc1N,1
O=C(O)Cc1cc(=O)[nH]n(-c2ccccc2)c1=O,0
C1CC[C@@H](OCCO[C@H]2CCCCO2)OC1,0
CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC,1
COc1cc(CN[C@H]2c3cc4c(cc3[C@H](c3cc(OC)c(OC)c(OC)c3)C3C(=O)OC[C@@H]32)OCO4)cc(OC)c1OC,1
Cn1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(N)c(=O)n(C)c1=O,0
COC(=O)CN(CCCl)P1(=O)OCCCN1CCCl,0
CCOC(=O)C1CC(O)CN1C,0
CCCCCCN(C)Cc1ccc(OCCOc2ccc(CN(C)CCCCCC)cc2)cc1,1
O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O,0
CCOC(=O)c1cc(C(=O)OCC)c(C#N)c(=O)[nH]1,0
CCC1=C(c2ccc(OC)cc2)CCC(C(=O)O)[C@H]1C,0
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](c4ccc(=O)oc4)[C@H](OC(C)=O)C[C@@]32O)C1,1
c1ccc(-c2nnc(Cn3cnnc3)o2)cc1,0
COc1ccn([C@@H]2CCCCO2)c(=O)n1,0
C=c1c(C(=O)CCCCC(=O)Nc2ccccc2)c(C)[nH]c1=Cc1[nH]c(-c2ccc[nH]2)cc1OC.Cl,1
O=S(=O)(c1ccccc1)N1CCCCC1,0
CCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCC)c4c3O)c(O)c12,1
CC(C)NC(=S)Nc1c(N)n(C)c(=O)n(C)c1=O,0
CCN1CCC(CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1,1
O=C1OCCC1=COCCCOC=C1CCOC1=O,0
COc1ccc(Nc2nc(N)c(C(=O)c3c[nH]c4ccccc34)s2)cc1,1
COc1ccc2oc(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1,1
COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)c(O)c1,1
N#CCc1nc(Cl)cc(Cl)n1,0
N#CC(C#N)N=Nc1ccccc1C(=O)O,0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(NCCN)cc43)[nH]c2c(OC)c1OC.Cl,1
c1ccc(C(C(=Nc2ccc(Cc3ccc(N=C(C(c4ccccc4)c4ccccc4)N4CC4)cc3)cc2)N2CC2)c2ccccc2)cc1,1
Cc1nc2c(cc1OCc1ccccc1)C(=O)C1=C(C2=O)[C@H]2OC(=O)C[C@@H]2OC1(C)C,1
COc1cc(C)c2sc3ccccc3c(=O)c2c1NCCN(C)C.O=C(O)C=CC(=O)O,1
CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nc(N)nc(N)c2c1C,1
O=C(OCc1ccccc1)n1nnc2ccccc21,0
CC(C(=O)O)C(=Cc1ccccc1)C(=O)O,0
CC(=NNC(=O)c1ccccc1)C(C)=NNC(=O)c1ccccc1,0
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0
CCCCC(CC)COCCCNCC(=O)O,0
O=c1c2c3c(sc2nc(SCc2nnc(Nc4ccccc4)s2)n1Cc1ccccc1)CCCC3,0
CC(=O)NC(C=O)[C@@H](OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1)[C@@H](O)[C@H](O)COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
CCc1cc(O)cc(C)c1Cl,0
CNC(=O)OCc1nc(SC2CCCCO2)n(C)c1COC(=O)NC,0
CCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
Cc1ccc(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1,0
O=P(N1CC1)(N1CC1)N1CCc2ccccc21,0
C[C@](O)(CC(=O)CC(=O)c1ccccc1)c1ccccc1,0
CN(C)CCn1c(=O)c2ccc(=NCCN3CCNCC3)c3c(O)c4ccccc4n(c1=O)c23.Cl,1
Cc1cc(=O)oc2cc(OCc3cn(C[C@@H](O)CO)nn3)ccc12,0
CN(C)c1ccccc1C[Ga](Cl)Cc1ccccc1N(C)C,1
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1.CCS(=O)(=O)O,1
CNCCc1cc2c(cc1C=O)OCO2,0
CCN(CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12.Cl,1
O=C(CSCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O,1
Cc1cc(=O)[nH]c(N2CCCCC2)n1,0
Cc1ccc(CCCC(=O)O)c(C)c1,0
Cc1cc2c3c([nH]c2c2ccnc(C)c12)CCCC3,1
O=C(CCCCCCCCC(=O)N1CCCCC1)N1CCCCC1,0
Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(F)c(Cl)c1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CN2CCOCC2)CC1OC1CC(N)C(O)C(C)O1)C3=O,1
N#CCCOCN(COCCC#N)c1nc(N(COCCC#N)COCCC#N)nc(N(COCCC#N)COCCC#N)n1,0
C=C(C)C(=O)Oc1ccc(N=Nc2ccc(C)cc2)ccc1=O,1
Nc1nc(N)nc([C@@H]2C=CCCC2)n1,0
CC(=O)Oc1ccccc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1,1
CN(C(=O)C1CC1)c1ccccc1,0
N#CC(=O)Nc1cccc(Cl)c1,0
O=[N+]([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1,1
CCOC(=O)C(C=Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(C)=O,1
O=C(O)c1ccccc1Nc1cccc2c1C(=O)c1cccc(Nc3ccccc3C(=O)O)c1C2=O,0
CCCCCC(=O)OCc1ccc(Cl)c(Cl)c1,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2C(O)=NO)cc1,1
O=c1[nH]c(=O)n2ncnc2[nH]1,0
O=C(c1ccccc1)c1ccccc1C(=O)c1ccccc1,0
NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1,0
Nc1c(I)cc(I)cc1C(=O)O,0
O=C(CC1CCCCN1)C(F)(F)F,0
O=C1OCC(C#Cc2ccccc2)=C1Cl,1
C[C@]12CC[C@@H](OC(=O)N(CCCl)N=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,1
CCCCCc1ccc(C)cc1OC(C)=O,0
CC(=NNc1nc2ccccc2o1)c1cc(C)ncn1,1
CC(C)=NNc1nc(O)c(-c2ccccc2)s1,0
COc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1,0
COC(=O)c1cc(NC(=O)Nc2cc(C(=O)OC)n(C)n2)nn1C,0
N#Cc1c(-c2ccco2)nc(SC[C@H](O)CN2CCOCC2)nc1N1CCOCC1,0
CCC(O)(CC(=O)O)c1ccccc1,0
O=C1c2ccccc2C(=O)c2c1cc1c(c2[N+](=O)[O-])OCO1,1
COc1cc([C@H]2c3cc4c(cc3O[C@@H](N3CCNCC3)[C@H]2C)OCO4)cc(OC)c1OC,1
CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1,1
N#CSCc1c(Cl)cccc1Cl,1
N=C(NN=Cc1ccc(-c2ccccc2)cc1)NN(O)O,1
CCOCc1c(C)cc(C)cc1C,0
NN.NNC(=O)Nc1nn[nH]n1,0
CN(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21,0
COc1ccc(/C=C2/CCC(CN(C)C)C2=O)cc1OC.Cl,1
C/C(=C\c1ccccc1)c1ccccn1.Cl,0
CCN(CC)c1ccc(C(=N)c2ccc(N(CC)CC)cc2)cc1,1
CO[C@@H]1[C@@H](O)[C@@H](OC(=O)C(N)CCCCN)[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)O[C@@H]1CO.Cl,1
Cc1ccccc1N1CCN(C(=O)c2cccnc2)CC1,0
OC1(c2ccccc2)CCCC1,0
CCCCN(CCCC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc12.Cl,1
O=c1[nH]c2c(c(=O)[nH]1)OCN(Cc1ccccc1)C2,0
CC(=O)Nc1cc(C(c2ccccc2)c2ccccc2)cc(C(c2ccccc2)c2ccccc2)c1C,1
COc1ccc(NC(=S)NN=C(C)c2nc3cccnc3[nH]2)cc1,1
CC(=O)Nc1cccc2c1C(=O)OC2=O,0
C[C@H](COc1ccc(Cl)cc1Cl)OC(=O)COc1ccc(Cl)cc1Cl,0
COC(=O)CCNc1ccccc1C(=O)OC,0
CO[C@H]1[C@@H](O)[C@H](C)O[C@H](O[C@H]2[C@@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H]3O[C@H](c4ccccc4)O[C@H]23)[C@@H]1O,1
O=P1(N(CCCl)CCCl)Nc2ccccc2N1,0
CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1,0
N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1cccc2ccccc12,1
CCn1cnc2c(SC)nc(N)nc21,0
O=C(O)c1nc(-c2ccccn2)c(-c2ccccn2)nc1C(=O)O,1
CCCCCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1,1
COc1cc(NCCCN=C(N)N=C(N)NC(C)C)c2ncccc2c1.Cl,1
N=c1nc(N)c2cc3c(=N)nc(N)c3cc12,1
COc1cc(Br)cc2cc(-c3cn4c(n3)sc3ccccc34)c(=O)oc12,1
COc1cc(NCCCCCCN)c2ncccc2c1OC.Cl,0
NC(=O)SCC(=O)Nc1ccc(O)cc1,0
CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H](O)CCCCCCCCCC[C@@H](O)CC3=C[C@@H](C)OC3=O)O2)O1,1
C[C@H]1CC[C@H]2C(CN3CCCCC3)C(=O)O[C@@H]2[C@]2(C)C(=O)C[C@@H](N3CCCCC3)[C@@]12O,1
N=C1N(N=Cc2ccccn2)C(=Nc2ccccc2)C(=S)N1c1ccccc1,1
O=C(C1CCN(CCc2ccccc2)CC1)N1CCOCC1,0
O=[N+]([O-])c1c(NCc2ccco2)ncnc1NCc1ccco1,0
COc1cc(C=C2CCCC(=Cc3ccc(OCC4CO4)c(OC)c3)C2=O)ccc1OCC1CO1,1
O=C1CC=C2C3CC4N(CCC45c4ccccc4N1C25)CC3=CCBr,0
Clc1nc(NC2CCCCC2)c2c[nH]nc2n1,0
COc1ccc(-n2cnc3c(N)nc(N)nc32)cc1,0
CC(=O)Nc1n[n+]([O-])c2cc(C)ccc2[n+]1[O-],1
O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-],1
CNC(=O)OCc1c2cc[nH]cc2c(C)c2c1nc1ccc(OC)cc12,1
ClC1(Cl)[C@H](c2ccccc2)N1c1ccccc1,0
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CNC/C1=C\c1ccc(Cl)c(Cl)c1,1
CC(C)(C)NC[C@H](O)COc1cccc2c1CCC=C2O.[Cl-].[H+],0
CC(C)(C)C1(CCO)C(=O)NC(=S)NC1=O,0
CC(=O)Nc1ccc(Cl)cc1Cl,0
COc1ccc(-c2nccn2-c2cc(OC)c(OC)c(OC)c2)cc1,1
Cc1ccc(C2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccc(Cl)cc2)cc1,1
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCCCC3)c12,1
Cl.O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCCCC1,0
CCCC[N+](C)([O-])c1ccccc1I(=O)=O,0
CCC1(OC(O)=CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
O=C(Nc1ccccc1)OCCNC1CCCCC1,0
O=C(Nc1ccc(F)c(Cl)c1)c1n[nH]c(=O)c2ccccc12,0
Cn1c(N)cc(=O)n(C)c1=S,0
Cc1ccc(C(=O)NN)cc1,0
C1=C[N-]C(=C2C=CC=C[N-]2)C=C1.F[PH](F)(F)(F)(F)F.N=c1c(=N)c2ccccc2c2ccccc12.N=c1c(=N)c2ccccc2c2ccccc12.[Ru+2],1
O=c1cc(-c2cccc(F)c2)[nH]c2cc3c(cc12)OCO3,1
O=CNC(O)C(Cl)(Cl)Cl,0
CN(CCO)c1ccccc1,0
CCCCN[C@H](C)c1ccccc1,0
COc1ccc(CC(=NO)c2ccc(OC)cc2)cc1,0
Nc1ccc2c(c1)S(=O)(=O)c1cc(O)ccc1O2,0
COc1ccc(/C=C/C(=O)c2cc(OC)cc(OC)c2)cc1,1
C[C@@H]1CC[C@@H](n2cnc3c(Cl)ncnc32)O1,0
COc1cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)ccc1OC(C)=O,1
Cc1ccc(NC(=O)C(C)S)cc1,0
CC[C@H](C)C(CC#N)=NCCCN=C(CC#N)[C@@H](C)CC,0
CCc1nnc(CC)n1N,0
CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C,1
O=Nc1ccc(O)c(=O)cc1,1
CC[C@H](C)[C@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@@H]1O,1
COC(=O)C1=C(c2ccc3c(c2)OCO3)O[C@H](c2cc(OC)c(OC)c(OC)c2)C1,1
COC(=O)C1=CCS(=O)(=O)C1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCC(P(=O)([O-])O)P(=O)(O)O)C(=O)O)cc1.[Na+],1
Cc1cc2[nH]cnc(=O)n2n1,0
N=CN,0
Nc1nc(O)c(CC(=O)O)s1,0
CC(=O)Nc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1,0
CN(C)CCC(/C=C/c1ccccc1)=N\Nc1ccc(Cl)cc1.Cl,1
CC1(C)OC2=C(CC1Br)C(=O)C(=O)c1ccccc12,1
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2,0
CCOC(=O)C1C(C(F)(F)F)=NC(=O)N[C@H]1CN1C(=O)c2ccccc2C1=O,0
NC(=O)N/N=C1\CCn2cccc21,0
C[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(C)O)[C@H]12,0
COc1ccc2c(c1)[C@H](O)[C@H](CO)C(C(=O)O)C2,0
NC(=O)c1c(O)cccc1O,0
O=C(O)C1C2C(=O)O[C@H]3[C@@H](Br)[C@@H]1O[C@@H]23,0
CCNc1ncnc2[nH]ncc12,0
CC(=CC(=NN=C(N)N)c1ccccc1)c1ccccc1,1
O=C1Cc2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2-c2ccccc2N1,1
S=c1cc(S)[nH]c(=S)[nH]1,0
C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3C(=O)C[C@]12C,0
CC1CN(C2CCCCC2)C(=O)NC1=O,0
O[C@@H](Cc1ccncc1)c1ccccc1Cl,0
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1[O-].[Na+],1
O=C(O)/C=C/C(=O)Nc1ccc(-c2ccccc2)cc1,0
Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(C(F)(F)F)c1,1
O=C1C=CC(=O)c2c1cc([N+](=O)[O-])c1ccoc21,1
CN(C)CCN=C(O)c1cccc2nc3c(ccc4ccccc43)nc12.Cl,1
C#CCBr.c1ccc(CNC2CCCCCCC2)cc1,0
ON(Cc1ccccc1)Cc1ccccc1,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)ccc1OCCN1CCCC1,1
O=C(O)COc1ccc([As](=O)(O)O)cc1[N+](=O)[O-],0
O=c1[nH]ncc2ccccc12,0
CN(C)CCCOc1ccc(C=C2CCCC(=Cc3ccc(OCCCN(C)C)cc3)C2=O)cc1,1
Nc1ccn([C@@H]2CO[C@@H](CO)O2)c(=O)n1,1
CC(=O)Nc1cc(=O)c2cccnc2[nH]1,0
CCCCNC(=O)C(C)C,0
COc1cc2nc3sc(C(=O)Nc4ccc(C(=O)OC(C)C)cc4)c(C(=O)Nc4ccc(Cl)cc4C)n3c(=O)c2cc1OC,1
O=C(Nc1nnc(C(F)(F)F)s1)c1c(F)cccc1F,0
COc1ccc(Cn2cc3c(c2)-c2[nH]c(=O)ncc2CC3)cc1,0
Nc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]c2-c2ccccc2)cc1,0
N=C(N)N=Nc1c(O)[nH]c(=O)[nH]c1=O,0
Cc1cc(=O)c2cc(C(=O)c3ccccc3)ccc2[nH]1,0
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCCN(C)C)c3c(N)c2c1,1
C[As](C)SC[C@@H](O)CO,1
NCCCCCCN,0
CCN(CC)c1ccc(C=Cc2cc(C)c3cc(C)ccc3n2)cc1,1
C[C@H]1C[C@]2(N=CCS2)[C@]2(O)O[C@@H]3C[C@]4(C)C5C(=O)C(O)[C@]6(C)[C@H](C7=CC(=O)OC7)CC[C@]6(O)[C@]56O[C@@H]6C[C@H]4C[C@H]3O[C@@H]2O1,1
CC1=C(C)CC2(CC1)C(=O)NC(=O)NC2=O,0
COc1ccc(/C=C/C(=O)/C=C/C=C/c2ccccc2)cc1,0
Cc1cc2c(s1)C(=O)c1sccc1C2=O,1
CCN(CC)Cc1ccc(C(=S)Nc2ccc(Cl)cc2)s1,1
Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(C(F)(F)F)c1,1
CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl,1
Clc1ccc(Br)cc1,0
COc1cccc(CCC2C(=O)CCCC2=O)c1,0
c1ccc(-c2ccc(-c3ccccc3)[nH]2)cc1,0
Cc1cc(C(=O)NCCN(C)C)c2nc3ccccc3cc2c1.Cl,1
CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC,1
CCOC(=O)C1(C(=O)OCC)NC(=O)CC1CC,0
CC(C)CN(CC(C)C)c1nn[nH]n1,0
O=C1c2ccccc2C(=O)c2c1c(O)c1ccn(CCCCNC(CO)(CO)CO)c1c2O,1
COC(=O)c1c(C#N)c(C#N)c2c([nH]c3ccccc32)c1C(=O)OC,0
O=c1[nH]nc(SC2CCCCC2)c(=O)[nH]1,0
Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)CN)ccc1Oc1ncc(Br)cn1.Cl,1
CN(C)c1ccc(/C=N\NC(=S)Nc2ccc(F)cc2)cc1,0
COc1ccc2c(ccc(=O)n2C)c1,0
O=c1[nH]c(=S)[nH]c(O)c1-c1ccccc1,0
CN(O)C(=S)c1ccccc1,1
COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C2OC(C)(C)OC(C2C)C(C)C(OC(C)=O)C1C,1
Nn1c(Cc2ccccc2)nnc1Cc1ccccc1,0
CC(=O)OC1CCn2c1nc1c2C(=O)C=C(N2CC2)C1=O,1
CC(=O)OCc1ccccn1,0
CSc1nc(N)c(C(=O)NC2CCCCC2)s1,0
CCN(CC)C(=O)c1ccc(C(C)C)cc1,0
COc1cc2c(cc1OC)C1CCN3C(=O)CCC3N1CC2,0
COC(=O)C1C(=O)C(C(=O)OC)[C@]2(O)C(C(=O)OC)[C@H]1C[C@@H](c1ccccc1OC)C2C(=O)OC,1
O=C(/C(Br)=C/c1ccncc1)c1ccc([N+](=O)[O-])cc1,0
Cl.N=C(N)SCc1c2ccccc2c(CSC(=N)N)c2ccccc12,1
CC(C)c1ccc(C(=O)OC(=O)c2ccc(C(C)C)cc2)cc1,0
COc1cc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)ccc1O,1
CC(=O)C1[C@H](N2CC2)C[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0
Cn1cc2c(c1)-c1ncncc1CC2,0
C1=Nc2c3c(cc4ccnc(c24)C1)OCO3.Cl,1
CCCCCCCCCCCCCC(=O)OCC,0
c1ccc(CSC(c2ccccc2)c2ccccc2)cc1,0
CN(C)c1ccc2c(c1)Cc1cc(N=C3C=CC(=O)O3)ccc1-2,0
CCCC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(=O)CCC,0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(NO)cc43)[nH]c2c(OC)c1OC,1
CCC(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0
CSC(=N\c1ccccc1)/N=C(/SCc1ccccc1)N(C)C.I,1
OC1C2CCC(C2)C1CN1CCCCC1,0
Cc1cc(O)c(C(C)C)cc1/N=C/c1ccccc1Cl,0
CCCC[Sn+2]CCCC.O=S(=O)([O-])[C@H]([O-])c1ccccn1,1
O=c1[nH]cnc(O)c1Nc1cccc(Cl)c1,0
CCCn1cnc2c(SCc3ccccc3F)nc(N)nc21,0
CC[C@H](C)Cn1cnc2c(SCc3ccccn3)nc(N)nc21,0
COc1ccc2nc3cc(Cl)ccc3c(N)c2c1,1
CC(Cc1ccccc1)[N+](=O)[O-],0
COc1ccc(C(=O)/C=C/c2c(-c3ccc(F)cc3)nc3sccn23)cc1OC,0
O=c1cc(-c2cccc(Cl)c2)[nH]c2cc3c(cc12)OCO3,1
O=C(OCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl)C1C(C(=O)OCC2CC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,0
c1cc(-n2nnc3cnccc32)ccn1,0
CCCCCCCCCCCCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](CO[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@H]2OC(C)(C)O[C@@H]12)NC(=O)Nc1ccc(C(=O)O)cc1,1
CCc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1,1
CCCSc1nc(N)nc2[nH]cnc12,0
c1ccc2c(c1)[nH]c1ccccc12,0
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)CC2C(O)C(O)C(O)C(=O)O1,1
CCOC(=O)c1c(-c2ccccc2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(c3csc(N)n3)CCC12,1
CCCOC(=O)c1ccc(Cl)c(Cl)c1,0
CCOC(=O)CN1C(=O)c2ccccc2C1=O,0
Cc1nn(C)c2c1C(c1ccc(Cl)cc1)SCC(=O)N2C,0
Cc1ccccc1-c1nc2ccccc2c(=O)n1C,0
Cc1cc(=O)c(C(=O)O)c(C)n1-c1ccccc1,0
CCOC(=O)c1cc(Cl)ccc1NS(C)(=O)=O,0
O=C(NCC1CC1)NC(=O)c1ccccc1F,0
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(=O)C3C(=O)N(c4ccccc4)C(=O)[C@]132,1
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-],1
CN(C)CC(C)(C)C(/C=C/c1ccccc1)=N\Nc1ccccc1.Cl,1
C=C(C)C(=O)O[C@H]1CC(CO)=CCCC(=C)[C@H](OC(C)=O)[C@H]2OC(=O)C(=C)[C@@H]21,1
COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1,0
Cc1cccc(/C=C/c2ccccc2)n1,0
CC1=NC(C)=C(C(=O)NNC(=O)c2ccccc2O)CC1C(=O)NNC(=O)c1ccccc1O,1
CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12,1
CC(=NNc1nc2ccccc2o1)c1ccncn1,1
COc1ccc(OC)c2nc3c(C(=O)NCCN(C)C)cccc3nc12.Cl,1
CCN(CC)CCC(=O)O[C@H]1C(C)C=C(C)C(=O)C[C@H]([C@@H](C)C[C@H]2CC[C@H](OC(=O)CCN(CC)CC)[C@@H](OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)[C@@]2(O)O[C@@H](CC[C@@H]2C)C[C@@H](OC)/C(C)=C/C=C\C=C\[C@@H](C)CC(C)C(=O)C1OC,1
Cc1ccc2c(=O)cc(-c3csc4ccccc34)[nH]c2n1,1
CCN(CC)c1ccc(C=NN=C(N)N)cc1,1
CCOC(C=O)OCC,0
O=C1c2ccccc2C(=O)N1CCCCCCN1C(=O)c2ccccc2C1=O,0
COc1cc(C=NC2CCCCC2)ccc1O,0
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1c(Oc2ccc(Cl)c(Cl)c2)ccc(Cl)c1S(=O)(=O)O,1
CCCCCCCCCCCCOC(=N)N1CCOCC1,1
c1ccc2sc(SSN3C[C@H]4CC[C@H](CC4)C3)nc2c1,0
COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c(OC)c1OC,1
O=C(CSCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O)NN=Cc1cc(Cl)cc(Cl)c1O,1
COC1=Nc2ccccc2N2CCN=C12,0
C=c1nc2sc(C)cn2c1=Cc1c(O)n(C)c2ccc(OC)cc12,1
Cc1ccccc1NC(=O)CC(=O)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O,1
CC(=O)C(=O)OC1CCCCC1,0
COC[C@@H](O)CN1CCN(c2ccc(C)cc2)CC1,0
COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(NC(C)=O)cc1,0
CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O[C@@H]4OC[C@H](O)[C@@H](O)[C@H]4O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)[C@@H]7CC[C@]89C(=O)O[C@@](C)(CCCC(C)C)[C@H]8[C@@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@H](OS(=O)(=O)O)[C@H]4O)O[C@@H]3C)OC[C@@H]2O)[C@@H]1O.[Na+],1
CCOC(=O)Cc1ccc(OC)cc1,0
COc1ccc(-c2coc3ccc4ccccc4c3c2=O)cc1OC,0
COC(=O)c1cc2oc(/C=C3\SC(=S)N(NC(C)=O)C3=O)cc2n1Cc1ccccc1,1
O=[N+]([O-])c1ccc2c(c1)N1C(=NS(=O)(=O)c3cnccc31)O2,0
Cc1cc(O)c2c(c1O)C(=O)[C@@]13C(C2=O)C(=O)C2[C@@H](O)[C@@H]1[C@H]1[C@@H](O)C3C(=O)C3C(=O)c4c(O)cc(C)c(O)c4C(=O)[C@]321,1
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3C(N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1C2=O.[Cl-].[H+],1
C/C(=N\NC(=O)c1sc(=S)n(C)c1N)c1cccs1,0
O=S1(=O)CCN(C2CCCCCC2)CC1,0
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,0
CC(C)[C@@H](C)/C=C\[C@H](C)[C@@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,0
CC(C)(c1ccccc1)c1ccc(O)cc1,0
O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1O,1
CC(C)Cc1c[nH]c(=O)[nH]c1=O,0
COC(=O)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1,1
COc1ccc(/C=N/n2c(-c3cc(F)c(Cl)cc3Cl)n[nH]c2=S)cc1,0
CCNP(=S)(NCC)c1ccccc1,0
CC(=O)Oc1cccc(OC(C)=O)c1,0
CCOC(=O)c1ccncc1,0
O=C1C(=Nc2cccc(Cl)c2)C(Cl)C(=O)N1Cc1ccc(Cl)cc1Cl,1
O=c1c2c3c(sc2n2cnnc2n1Cc1ccccc1)CCCC3,0
CN(C)CC(=O)c1ccc(O)c(O)c1.Cl,0
CC(=O)Oc1ccccc1Cl,0
Oc1c(CN2CCN(c3ccccc3)CC2)cc(Br)c2cccnc12,1
COc1ccccc1NC(=S)NN=Cc1cccc(C)n1,1
CC(C)O[C@H]1CCC[C@@H](O)[C@H]1CC(=O)O,0
O=C1c2ccccc2C(=O)c2c1cccc2-n1nnc2ccccc21,0
O=C(CCl)NC1(C(=O)O)CCCC1,0
C=C1[C@@H](O)C[C@@]23CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5C[C@@H](O[C@H]5O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@@H]5O)[C@@]4(C)C2=CC[C@H]3[C@H]1C,1
COc1ncnc(NS(=O)(=O)c2ccc(/N=C3\C(=O)N(CN4CCN(c5c(F)cc6c(=O)c(C(=O)O)cn(C7CC7)c6c5OC)C[C@@H]4C)c4ccc(Br)cc43)cc2)c1OC,1
c1coc(-c2nc3ccccc3s2)c1,0
CC1(c2ccccc2)C(C#N)C(=O)NC(=O)C1C#N,0
CCCCCN(CCCCC)C(=O)CCl,0
CCOC(=O)c1csc(N)n1,0
CCOC(=O)c1cnc(N2CC2)nc1N,0
CC1=C(C(=O)O)CC(S(=O)(=O)O)C1(C)C,0
CCOC(=O)c1sc(N)nc1C(F)(F)F,0
CC(=Cc1ccccc1)C(=O)c1ccccc1,0
CC(=O)c1ccc(C)c([N+](=O)[O-])c1,0
O.O.O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+],0
C[C@H]1N[C@H](C)c2c(ccc3ccccc23)O1,0
CCCCCCCCCCCCCCCC(=O)OC,0
Cc1ccc(S(=O)(=O)N(C)c2cc(Cl)c(C(=O)O)c(Cl)c2)cc1,0
CC(C)C(=NO)c1ccccc1.CC(C)C(=NO)c1ccccc1,0
O=c1cc(Cc2ccccc2)[nH]c(=S)[nH]1,0
CC(=O)Cc1ccc([N+](=O)[O-])cc1,0
COc1cc(/C=C/c2ccc(C)cc2)cc(OC)c1OC,1
O=[P@@]1(O)Cc2ccccc2-c2ccccc21,0
O=S(=O)(O)CCCCS(=O)(=O)c1ccccc1,0
NS(=O)(=O)c1cccc(NC(=O)C(=O)c2c(O)[nH]c3ccccc23)c1,0
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,0
C=C1CC(C)(COc2cc(=O)oc3ccccc23)OC1=O,1
COC(=O)[C@@]12OC[C@]34[C@@H]([C@@H](O)[C@H]1O)[C@@]1(C)CC(=O)C(=O)C(C)C1C[C@H]3OC(=O)C(OC(=O)C[C@H](C)C(F)(F)F)[C@@H]24,1
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.O.O.O.[Cl-].[H+],1
CC1(CO)COC(c2ccc(Cl)cc2)N1,0
Clc1ccc2c(NCCCCN3O[C@H]3c3ccccc3)ccnc2c1,1
Cc1ccc(NCCNCC(O)CO)c2c(=O)c3ccccc3sc12,1
Cl.Fc1ccc(C2=CCNCC2)cc1,0
O=S(=O)(O)c1ccc(NN=Cc2ccccc2O)cc1,0
N#Cc1cnc(N)nc1N,0
O=C(NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(O)c1O,1
Cn1cnc2c1c(=O)[nH]c(=O)n2C,0
C(#Cc1cnccn1)/C=C\C#Cc1cnccn1,1
CC(C)C(NS(=O)(=O)N(c1cccc(F)c1)C1CCN(Cc2ccc(O)cc2)CC1)C(=O)O,0
COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)nc2N)cc1,1
O=C(CCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1,0
COc1ccc(C=NNc2ccc([N+](=O)[O-])cn2)cc1,0
C[C@H](CCC1=NCCN1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,1
Cl.NNc1cccc2ccccc12,0
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0
CN1C(=O)N(C)C(=O)C(NS(=O)(=O)c2ccc(N)cc2)(c2ccccc2)C1=O,0
O=C(O)COc1ccc(OCC(=O)O)cc1,1
CN1/C(=C/C=N/NC(=O)c2ccc(=O)n(C)c2)C(C)(C)c2ccccc21,0
CCOC(=O)c1c(C)oc(C)c(C(=O)OCC)c1=O,0
CC(C)/C(Cl)=N/OC(=O)Nc1ccc(Cl)c(Cl)c1,1
CCN(CC)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1,1
O=C(Cc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O)c1ccccc1,1
Nc1nc(=S)nc(N)[nH]1,0
Cc1cnc(Cl)nc1Sc1nc(N)nc2[nH]cnc12,0
COC1=CC(=O)c2nc3ccccc3c3ccnc1c23,1
CCCCCCc1cc2cc(C(=O)Nc3ccccc3F)c(=N)oc2cc1O,1
CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N.Cl,1
CNC(=O)C(C)c1c(O)c(C(=O)C=CC(C)=CC(C)[C@@H]2O[C@]3(C)O[C@@H](C=C[C@@]34CO4)[C@H]2C)c(O)n1[C@H]1CC[C@H](O)[C@H](C)O1,0
CC1=CC[C@H]2CC[C@](C)(O)[C@@H](CC[C@]3(C)O[C@H]3CC1)C2(C)C,0
CC(=O)N=C1C(=N)c2nc3n(c2C(=O)C1C)CCC3OC(=O)c1ccccc1,1
O=C(O)C(=Nc1ccccc1)c1c[nH]c2ccccc12,0
Cc1cc(N(C)C)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N(C)C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-],1
Cc1ccc(CN2CC(C(=O)OCC(=O)NC(=O)C3COc4ccccc4O3)CC2=O)cc1,0
C[C@@]1(CCCCO)C=C[C@@H](S(=O)(=O)c2ccccc2)CC1,1
O=C1c2ccccc2C(=O)N1c1nc[nH]n1,0
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,1
CCOC(=O)CCN1CCN(c2ccccc2C)CC1,0
COc1ccccc1[As@@](=O)(O)C[C@H](O)COc1ccc(Cl)cc1Cl,0
Nc1nc(N)c2c(n1)N[C@H](c1ccccc1)C1CCc3ccccc3C1=N2,1
CC(C)CC(=O)NS(=O)(=O)c1ccccc1,0
CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(c5ccccc5)CC4)cn3c(=O)c2c1,1
COc1ccc(Br)c([N+](=O)[O-])c1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)c(Cl)c1.Cl,1
COC1OC2COC(c3ccccc3)OC2C2OC12,0
CCOC(=O)NCc1ccccc1,0
CCOC(=O)C(Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O,0
COc1cc2c(cc1OC)[C@@H]1C(C2=O)c2ccc([N+](=O)[O-])cc2C(=O)N1CCCBr,1
Cc1ccccc1OC(=O)c1ccccc1Cl,0
CCCCOC(=O)c1cccc(C(=O)OCCCC)n1,0
CCCCCCCc1cc2c3c(nc4ccccc42)C(=O)c2cccnc2-c3n1,1
CCCCc1c2c(nc3c1CCC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CCCC2,1
CCCCCC(=O)C(=O)c1ccc(O)cc1O,0
Nc1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)c([N+](=O)[O-])c1,0
CC[C@]1(c2ccc3c(c2)OCO3)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O,1
Cc1cccc(-c2cc(=O)c3cccnc3[nH]2)c1,1
CC(=O)Nc1ccc2c(c1)C(=Nc1ccccc1)c1ccccc1-2,0
CCOC(=O)c1c(O)[nH]c(C)cc1=O,0
C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc[n+]([O-])n1,1
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1,0
N#Cc1c2ccccc2c(Cc2ccc3c(c2)OCCOCCOCCOCCOCCO3)c2ccccc12,1
Nc1nc(N)c2cc([N+](=O)[O-])ccc2n1,0
O=C(O)C=C(C(=O)O)C1CCCC1,0
O=C1NCC(Nc2ccc(Br)cc2)C(=O)N1,0
CC(C)c1cccc(O)c1,0
CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.COc1cc(OC)c(C(=O)[O-])cc1OC.COc1cc(OC)c(C(=O)[O-])cc1OC.[O-2],1
COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=C([N+](=O)[O-])C(C)(C)O2,1
NC(=S)NN=Cc1ncccc1N,1
CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)O[C@@H]2[C@@H]1O.O=S(=O)(O)O,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCCN3CCCC3=O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
CC(C)(C)OC(=O)N1C(C2=COc3ccccc3O2)=COc2cccnc21,1
Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1,1
CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@]2(C)C3C(=O)C=C4C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12.[Na+].[Na+],0
CSc1nc(=O)cn[nH]1,0
Oc1cccc(CCc2ccccn2)c1,0
Cc1c[nH]c2c1C13CC1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O,1
CN(Cc1ccc(Nc2ccccc2)cc1)C1CCCCC1,0
O=C1CCCc2c1ccc1ccccc21,0
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc2ccccc2c1,1
Oc1c2c(c(O)n1SC(Cl)(Cl)C(Cl)Cl)CC(SSC1Cc3c(c(O)n(SC(Cl)(Cl)C(Cl)Cl)c3O)CC1Cl)C(Cl)C2,1
Nc1ccc(C(=O)NN2C(=O)C(Cl)[C@@H]2c2ccc(Cl)cc2)cc1,1
CCN(CC)CCOC(=O)c1ccc(N)cc1.[Cl-].[H+],0
Cc1nc2c(O)c3c(c(O)c2nc1C)[C@H]1C=C[C@@H]3CC1,1
CC(C)(C)c1cc(/N=C/c2ccc(F)cc2)n(-c2ccccc2)n1,0
CCC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2,0
COc1ccc(CCN=C2CC(=O)c3ncccc3C2=O)cc1OC,1
O=C(C(Br)Br)C(Br)C(Br)c1ccccc1,1
CN(C)c1ccc(N=C2C=CC(=C(C#N)C#N)c3ccccc32)cc1,1
O=c1[nH]c(O)c2c(/c1=C/c1ccccc1)=CCCC2,1
CCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.[I-],1
O=C(OCCOc1ccccc1)C(Cl)(Cl)Cl,0
c1ccc(OCCOc2ccccc2)cc1,0
O=C1c2ccccc2C(=O)c2c1nc1ccccc1c2-c1cncc(-c2c3c(nc4ccccc24)C(=O)c2ccccc2C3=O)c1,1
CN1CCN(c2c(Cl)cc(Cl)c3[nH]c4ccccc4c(=O)c23)CC1,1
CC(=O)N1c2ccccc2C2=NN=C(N(C)C)S[C@H]21,1
COC(=O)C1(C(=O)OC)C2CC(C)=C(C)CC21,0
COc1cc2c(cc1OC)[C@@H]1c3ccc(OC)c(OC)c3OC[C@@]1(O)C2,0
CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1,1
O=[N+]([O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-],1
Nc1nc(SCc2ccc(Br)cc2)c2ncn([C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1,0
NCCC(O)=NO,0
COc1c(Br)c(=O)n(C)c(=O)n1C,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccncc1)[C@@H]2O,1
O=[N+]([O-])c1csc2ccccc12,0
CC(C)(C)NCC(=Cc1ccccc1)C(=O)c1ccccc1,1
C=C(C)[C@]12O[C@H]1[C@@]1(C)C(=CC2=O)CC[C@H](O)[C@@H]1C,1
O=C(OCCCl)c1ccccc1C(=O)OCCCl,0
CC(C)C(N=Cc1ccccc1[O-])C(=O)[O-].CCCC[Sn+2]CCCC,1
CN(C)CCN=C1CC(=O)c2c(O)ccc(O)c2C1=O,1
Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1,1
O=C1C=CC(=O)N1c1cccc2cccnc12,0
Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)oc2cc1C,1
COc1cc2cnc3c(c2cc1OC)Cc1cc2c(cc1-3)OCO2.Cl,1
CS(=O)(=O)O.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCOCC3)c12,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@@H]1C[C@@H]2[C@H](OCN4CN2CO[C@H]2[C@H]4C[C@@H](O[C@H]4C[C@](O)(C(=O)CO)CC5=C4C(=O)c4c(c(O)c6cccc(OC)c6c4O)C5=O)O[C@@H]2C)[C@@H](C)O1)C3=O,1
COc1ccccc1N1C(N)=NC(N)=NC1(C)C,0
C[C@@H]1C[C@@H](C)OP(=O)(OCCC#N)O1,0
COc1cc(C=Cc2ccccc2)ccc1O,0
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C,0
Cn1c(-c2c(N)n(Nc3cccc(Cl)c3)c3nc(C#N)c(C#N)nc23)nc2ccccc21,1
Cc1nc(Nc2ccc(NC(=S)Nc3ccccc3)cc2)nc2[nH]c(SCc3ccccc3)nc(=O)c12,0
Cl.Nc1ccc(S(=O)(=O)N[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]2O)cc1,0
CCN(CC)CCCCNc1ccnc(N)n1,0
Cl.N=C(N)c1ccc(S(N)(=O)=O)cc1,0
CCCOc1ccccc1OCCC,0
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1,0
CCN(CC)C1Oc2cc3c(cc2C(c2cccc(OC)c2O)C1C)OCO3,1
CCC(C)(C)C(=O)CC(=O)C(C)(C)CC,0
CCN1CCC2(CC1)NC(=O)c1c(c3ccc(Cl)c(Cl)c3n1C)[C@@H]2C#N,1
CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1-2,0
O=C(O)c1ccccc1,0
Nc1ccc(C(=O)O)cc1N.O=S(=O)(O)O,0
CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3n(-c3ccccc3)c2c1,1
O=C1OCC2=C1C(c1ccc(Cl)cc1)c1cc3c(cc1O2)OCO3,1
CCN(CC)CCOC(=O)c1ccc(C)cc1,0
O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3CO2)c1,0
COc1cc2c(C=C3C(=O)Nc4ccc(O)cc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C,1
COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1.[Cl-].[H+],0
O=[N+]([O-])c1ccc(CCl)cc1,0
[Cl-].[H+].c1ccc(CC2=NCCN2)cc1,0
CN(C)c1ccc([Sn](c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,1
Nc1ncnc(N)n1,0
COc1ccc(C2=CC(c3ccc(OC)c(OC)c3)c3c(c4ccccc4oc3=O)O2)cc1OC,1
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc([N+](=O)[O-])c6[nH]c7ccccc7c(=O)c56)c4c(C)c3c2c1.CS(=O)(=O)O,1
O=C1c2ccccc2C(=O)c2c1c(O)c1ccn(CCCCN3CCOCC3)c1c2O,1
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1,0
CCN(CC)CCCNc1[nH]ccc2c(C)c3nc4ccncc4c(=O)c3cc12,1
Cc1ccc(S(=O)(=O)Oc2cc(-c3ccccc3)nc3ccccc23)cc1,1
CCNS(=O)(=O)c1ccccc1,0
O=C1C=CC(=O)N1Cc1ccncc1,0
O=C(O)c1ccc(/C=N/N2CCCCCC2)cc1,0
CC1(C)C(=O)C2(I)CCC1C2,0
C=C1CC(Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,1
COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1,1
CC(=O)O[C@H]1[C@@H](NC(=O)C=C(C)C)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12,1
CCCCCCCCCCCCCCC(=O)c1ccccc1,0
CCCCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CCCCC)c4c3O)c(O)c12,1
Cc1nc2[nH]nc(N)c2nc1C,0
O=c1ccn2[nH]c3ccccc3c2n1,0
NN1C(=O)c2ccccc2C1=O,0
Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.O.O.[Na+],0
CC1(C)NC(C)(C)C(Br)C(=O)C1Br,0
COc1nc(N)c(CNc2ccccc2)c(=O)n1C,0
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccccc1,0
CC(=O)[O-].Cc1c(C)c(C)c([Hg+])c(C)c1C,1
Nc1c(-c2ccccc2-c2c(N)[n+]([O-])c3ccccc3[n+]2[O-])[n+]([O-])c2ccccc2[n+]1[O-],1
N=C1C(=O)c2cc(S(N)(=O)=O)ccc2C(=O)C1Cl,1
Oc1cccc2oc(=S)[nH]c12,0
COc1ccc(NC(=S)NN=C(C)c2nc3cccnc3[nH]2)cc1,1
CC1=CC(=C(c2ccc(N)c(S(=O)(=O)O)c2)c2ccc(N)c(S(=O)(=O)O)c2)C=C(S(=O)(=O)O)C1=N,0
N#CC1(Nc2ccc(C(=O)O)cc2)CCCC1,0
Cc1ccc(C(=O)O)cc1[N+](=O)[O-],0
CCC(=O)OCc1ccccc1Cl,0
CC1(C)C=C(C(=O)O)C(C)(C)N1O,0
ClC(Cl)(Cl)c1ccccc1,0
S=C(NCCCN1CCN(CCCNC(=S)NC2CCCCC2)CC1)NC1CCCCC1,0
c1ccc(-c2nc3ccccc3s2)nc1,0
CCOC(=O)C(C#N)=Cc1ccccc1OC,0
COc1cc(C2c3cc4c(cc3C(NCc3ccc(F)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Nc1nc(-c2ccccc2)c(CCCOc2ccc(NC(=O)CBr)cc2)c(=O)[nH]1,0
O=C(CCCCCCCC(=O)N1CCCCC1)N1CCCCC1,0
CCCCn1cnc2c(SCc3ccccn3)nc(N)nc21,0
COc1ccc(C(C#N)c2ccc(N=O)cc2)cc1,1
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N(C)C)c3ccccc43)[nH]c2c(OC)c1OC,1
CO[C@H]1C=CC=C(C)C(=O)Nc2cc(O)c(O)c(c2O)C=C(C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@@H]1OC(N)=O,1
COC(=O)Nc1nc2cc(Oc3ccc4[nH]c(NC(=O)OC)nc4c3)ccc2[nH]1,1
O=[N+]([O-])c1ccc(Sc2cccc[n+]2[O-])c2nonc12,1
O=c1[nH]c(O)c(C=Cc2ccccc2)c(=O)[nH]1,0
Cc1ccc(NC(=O)c2ccc(N=C3C(=O)N(Cc4ccccc4)C(=O)C3Cl)cc2)cc1Cl,1
N#CCCc1nc(N)nc(N)n1,0
Cc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1,0
Cc1ccc2c(c1)Oc1ccccc1N=C2,0
NC(Cc1ccc(Cl)cc1)C(=O)O,0
COc1ccc(C(=O)c2ccc([As]=O)cc2)cc1,1
Cc1cccc(C=NNC(=S)N(C)CCc2ccccn2)n1,1
Cc1cccc(-c2cc(=O)c3cccnc3[nH]2)c1,1
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=NNC(=O)c1ccncc1)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-],1
Cc1nnc2c3ccccc3ccn12,0
CCOC(=O)C1(C(=O)OCC)CCCCC1=O,0
COc1cccc2c1/c(=C/c1ccc(N(C)C)cc1)c1cc(-c3ccccc3)[n+](C)n12.O=S(=O)([O-])C(F)(F)F,1
CCCC1OC(C)CC(C)(C)O1,0
CN(C)CCNc1c2c(c(NCCN(C)C)c3[nH]ccc13)C(=O)c1ccccc1C2=O,1
CCCC[Sn+2]CCCC.[O-]N=C(c1ccccc1)C([O-])c1ccccc1,1
CCNC(COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1,0
O=c1[nH]c(O)c(Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]1,0
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NC(=O)N4CCCN(C)C.Cl,1
Fc1cc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c(Cl)cc1Cl,0
CCCCOC[C@H]1O[C@@H]1COCCCC,0
CCC[Sn+2]CCC.CCC[Sn+2]CCC.O=C([O-])Cc1ccc(F)cc1.O=C([O-])Cc1ccc(F)cc1.[O-2],1
C/C=C(\C)N(C(C)=O)N(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCC(CC)n1c(C)cc(=O)n1C(CC)CC,0
Oc1c2c(c(O)n1Cc1ccncc1)[C@H]1C=C[C@@H]2O1,0
CC1([N+](=O)[O-])COP(=O)(NC2CC2)OC1,0
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1,0
C=CCCCO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1CNC(=O)c1cccc(I)c1,1
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,0
O=C1C(Cl)[C@@H](c2cc3cc(Br)ccc3nc2Cl)N1c1ccc(F)c(Cl)c1,1
COc1c(OC(C)=O)c(OC(C)=O)cc2c1-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2cc(Cl)ccc2Cl)cc1,1
C=c1[nH]n(C(=O)c2ccccc2O)c(=O)c1=Cc1ccccc1O,1
CC(O)C(N)C(=O)O,0
CCOC(=O)NC(=O)CSc1n[nH]c(-c2ccc(CC)cc2)n1,0
COc1c(OC(C)=O)ccc(C=O)c1[N+](=O)[O-],0
C[C@H]1O[C@H](O[C@@H]2CC=Cc3c2c(O)c2c(O)c4ccccc4c(O)c2c3O)C[C@H](N)[C@@H]1O.Cl,1
N=C(NNC(=O)c1nc2ccccc2s1)c1ccccn1,1
Cc1ccc(S(=O)(=O)NCC(C)C)cc1,0
CCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CNc3nc4ccc(OC)cc4s3)c(OCC)c2)ccc1OC(=O)CNc1nc2ccc(OC)cc2s1,1
CC(C)=c1c(O)c(O)c2coc3c(-c4c(C)cc5c(=C(C)C)c(O)c(O)c6coc4c65)c(C)cc1c23,1
Cc1nc2sccn2c1-c1nc2sccn2c1C=O,0
C[C@@H](OC(=O)c1ccccc1C(=O)O)c1ccccc1,0
O=C1C=CC(=O)c2c1c1c(c3c2C2c4ccccc4C3c3ccccc32)C2c3ccccc3C1c1ccccc12,1
CO[C@@H]1CC[C@@H](O)[C@H](/C=C/[N+](=O)[O-])C1,1
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]2C1C(=O)C[C@@H]2C,0
COc1nc2c(c(=O)n1C)CN(C1CCCCC1)C(=O)C(C)N2,0
COC(=O)C[C@H]1OCC=C2CN3CC[C@@]45C6=CC(=O)C(O)=C([N+](=O)[O-])C6=N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35,0
COc1cc(C2c3cc4c(cc3C(NCCN(C)C)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CC1(C)OC2OC(COC(=O)c3ccccc3)C(OS(C)(=O)=O)C2O1,0
O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C\CBr,0
CCCCCCNC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O,1
O=C(O)C1C(c2ccccc2)=C1c1ccc(Br)cc1,0
O=C1N[C@@H](c2cccc3ccccc23)Nc2ccc(Cl)cc21,1
COc1ccc(C(=O)N2CCCC2=O)cc1,0
ClCc1c(Cl)c(Cl)c(Cl)c(CCl)c1Cl,1
CCCCCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1,0
COc1ccc(C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)cc1,1
CCOC(=O)Cc1nnn(C)n1,0
COc1cc(C=Cc2nnc(C=Cc3ccc(O)c(OC)c3)s2)ccc1O,1
O=C(O)C1[C@H]2CC[C@@H]1[C@H](O)C2,0
O=C(c1ccccc1)N1CCO[C@@](O)(c2ccccc2)[C@H]1c1ccccc1,0
CCCCOC(c1ccccc1)c1ccccc1,0
CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl,1
COc1cc([C@H]2c3cc4c(cc3[C@H](NS(C)(=O)=O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
N=C(N)Sc1n[nH]c(=O)[nH]c1=O,0
O=C(O)c1cc(S(=O)(=O)Cl)ccc1Cl,0
C[n+]1c2ccccc2n2c3ccccc3c(NCCCN3CCOCC3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1,1
CNc1c(Cl)c(Cl)cc(Cl)c1Cl,0
Cc1ccc(CCCO)cc1,0
Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1.[Na+],0
Cc1ccc(Nc2cccc3cccc(S(=O)(=O)O)c23)cc1,0
COc1ccc(O)c(CN2C[C@H]3CC[C@H](CC3)C2)c1,0
CC(CCc1ccccn1)C(=O)c1ccccc1,0
CC1(O)c2ccccc2-c2ccccc21,0
O=C1C=CC(=O)c2c1c(O)c1ccncc1c2O,1
CC(=O)OCc1ccc(Cl)cc1Cl,0
COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1,1
CC(=O)CC(=O)Nc1ncccn1,0
O=c1[nH]c2cc(Cl)ccc2nc1C(=NO)C(O)c1ccc([N+](=O)[O-])cc1,0
COc1cc(OCCN(C)C)c2[nH]c(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1,1
O[C@H](CSc1ccccc1)CN1CCN(c2ccccc2)CC1,0
N=C(N)N=C(N)Nc1ccc(S(=O)(=O)c2ccc(N=C(N)N=C(N)N)cc2)cc1,0
COc1ccc(C(=C2C(=O)N(c3ccccc3)C(=O)C2=C(C)C)c2ccc(OC)cc2)cc1,1
COc1cc(N(C)C)c(OC)cc1C=Cc1ccnc2ccccc12,1
c1ccc(-c2noc(-c3ccccc3)n2)cc1,0
O=C(O)c1ccc([N+](=O)[O-])cc1,0
CCOC(=O)C=CC(C(=O)C=Cc1ccc(O[C@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1,1
O=C(C[As](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,0
Nc1nc(N)nc(N2CCCCC2)n1,0
O=c1cc(-c2ccccc2)[nH]c2cccc(S)c12,1
ClCc1cc(Cl)c(Cl)cc1Cl,0
ClC[C@@H](CNCc1ccccc1)c1ccccc1,0
CC(=NNc1nc2ccccc2[nH]1)c1ccc2ccccc2n1,1
O=[N+]([O-])c1ccc(/C=N/NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1,0
C=C(C)CN1C(=O)c2ccccc2C1=O,0
Cc1ccnc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)c1,1
Cn1c(=O)c2c(nc(OCCc3ccccc3)n2C)n(C)c1=O,0
O=C(Nc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1,0
O=C(Nc1ccc(Oc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc1)Nc1ccccc1Cl,1
COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCCC1)O2,1
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O,0
CC1=C(Cl)[C@@H]([P@]2(=O)Oc3ccccc3-c3ccccc32)C[P@@](=O)(c2ccccc2)C1,0
CCCNCCCCC(C)Nc1cc(OC)cc2cccnc12.O=C(O)C(=O)O,0
COc1ccc2c(c1)-c1nn(CCCN(C)C)c3ccc([N+](=O)[O-])c(c13)N2,1
CCOC(=O)CN1CCS/C1=N\C(=O)c1ccc(Cl)cc1,0
S=C1SCCCS1,0
COc1cc(C2c3cc4c(cc3C(SC(=N)N)C3COC(=O)C23)OCO4)cc(OC)c1OC,1
CCC(CCC#N)(CCC#N)C(=O)c1ccc(C)o1,0
CCOC(=O)Sc1ncnc2[nH]cnc12,1
CCOC(=O)CNc1ccc2c(c1)C(=O)c1ccccc1-2,0
CC(=O)Oc1cccc(O)c1,0
Brc1cc2c(cc1C1SCCS1)OCO2,0
CCOC(=O)c1sc2c(c1C)c(=O)[nH]c1c(C(=O)OCC)nnn12,0
CCS(=O)(=O)c1ccc(C=NNc2nc3ccccc3o2)cc1,0
Cc1ccc(C(=O)CCCCl)cc1C,0
O=C(O)CCC1CCC(=O)O1,0
COc1cc2c(O)cc(C(=O)O)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC,0
CC(C)OC(=O)N1CCOCC1,0
O=C(O)c1ccc([N+](=O)[O-])o1,0
COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCN(c5ccccc5)CC4)CC3)nc2-c2ccc(OC)cc2)cc1,1
CCOc1ccccc1/C=C1\SC(=S)N(CC)C1=O,0
CC(C)c1ccc(O)cc1,0
CCc1csc(=S)[nH]1.Cc1[nH]c(=S)sc1C,0
CSc1nc2c(c(=O)n1C)N=C1c3ccccc3C(=O)C1[C@@]1(CC(=O)c3ccccc31)N2,0
COc1cccc2c1nc1cccc(OC)c1[n+]2[O-],1
Cc1ccc2nc(-c3cccc(Cl)c3)oc(=O)c2c1,0
O=C(NN=Cc1cc(Cl)ccc1O)c1ccncc1,1
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3cccc([N+](=O)[O-])c3)c21,1
CCCCCCCCCCCCCCCCSC(=NCC)NCC,1
CCCCCCCCCCCCCCCC[n+]1ccn(C)c1.[Cl-],1
CC[C@@]1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1.Cl,1
O=C1/C(=C/c2cccnc2)[C@@H](n2cccc2)c2c(Br)sc(Br)c21,1
C[C@]12CC[C@H](OC(=O)Nc3ccccc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=N/OC(=O)Nc3ccccc3)CC[C@@H]12,1
CN(CCc1ccccn1)c1ccccc1,0
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3o2)cs1,0
Cn1c(=O)c2[nH]c(Cc3ccsc3)nc2n(C)c1=O,0
[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
C=C1C(=O)O[C@H]2CC(C)=CCC[C@]3(C)CCC[C@](C)(CC[C@@H]12)O3,1
CC(=NNC(N)=O)c1ccc([N+](=O)[O-])o1,0
O=C(O)c1c2c(nc3ccccc13)Cc1ccccc1-2.[Na+],0
Fc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1,1
Nc1cc(=O)[nH][nH]1,0
Cc1ccc(-n2nnnc2-c2cccnc2)cc1,0
CCOC(=O)C(CCC(=O)c1ccccc1)(NC(C)=O)C(=O)OCC,0
OCC1(CO)CCC=CO1,0
COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2,0
CCCCOP1(=O)C=C(C)C(=C(Cl)Cl)C(C)=C1,1
CCOc1cc(NC(C)=O)ccc1C(=O)NNC(=O)c1ccccc1OC(C)=O,1
O=C(N=C1CC(=O)c2ccccc2C1=O)c1ccccc1,1
CCOC(=O)CSc1nc(-c2cc3ccccc3o2)cc(-c2ccc(Cl)cc2)c1C#N,0
CCOC(=O)Nc1ccc2c3c(cccc13)-c1ccccc1-2,1
CC(C)C[C@H](NC(=O)C(Cc1cccc2ccccc12)NS(=O)(=O)c1cccc2cccnc12)B(O)O,1
O=C(O)c1ccccc1C(=O)c1cccc2c(Br)cccc12,0
Oc1ccc2c3c1OC1C(O)C=CC4(O)C(C2)N(CC2CC2)CCC314,0
CS(=O)(=O)CCN1CC2CCCC(C2)C1,0
O=C(NC(=S)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1,0
CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1CC1,1
CC1=CC(C)C(C(=O)O)C(C(=O)O)C1,0
Cc1cc(C(=O)NN)c(C#N)c(=O)[nH]1,0
CCC(=O)c1ccc(Cl)s1,0
COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1,1
CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
CC/C=C/[C@@H](CC)C/C(C)=C\[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1,1
COc1ccc(/C=N/NC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1OC,0
Cc1cc(C)c([N+](=O)[O-])c(O)c1,0
CC(=O)O[C@H]1C[C@@H]2C[C@H]1[C@@H]1C=CC[C@H]21,0
CN(C)CCCN=c1c2ccccc2n(C)c2[nH]c(=O)n(C)c(=O)c12,1
Sc1ccc(Br)cc1,0
CCC(=O)Oc1ccc(C=NNC(N)=S)nc1,1
O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Hg+]C[C@H]1OCCO[C@@H]1C[Hg+],1
CC(C)(C)Sc1nnc(SC(C)(C)C)c2c(=O)[nH]nc(SC(C)(C)C)c12,1
C(=C/c1ccncc1)\c1ccncc1,0
CSc1nc(-c2cc3ccccc3o2)cc(-c2ccc(Cl)cc2)c1C#N,1
CC=C(C)N(C(C)=O)N(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCN(CC)CCN=Cc1ccccc1OC,0
CCCCNc1ncnc2c1cnn2C,0
Brc1cc(Br)cc(CN2CCOCC2)c1,0
Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3C1=CC2,0
NCCNc1ccc(NCCN)c2c(O)c3c(c(O)c12)C(=O)C=CC3=O,1
CNC(=O)OCc1c2cc[nH]cc2c(C)c2c1nc1ccccc12,1
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1,0
C[C@H]1CC(=O)[C@@]2(O)C#CC=CC#C[C@@H]3Nc4c(cc(O)c5c4C(=O)c4ccccc4C5=O)[C@]24O[C@]314,1
O=C(Nc1ccccc1)SC1CCCCC1,0
COC(=O)C1C(C)=Nc2c(N)ncnc2N[C@@H]1c1ccc(Cl)cc1,0
O=[N+]([O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-],1
Cc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(Cl)cc2)CC1,0
Nc1ccc(OS(=O)(=O)c2ccccc2)cc1,0
c1ccc(C2=N[C@H](c3ccccc3)CC2)cc1,0
CC1OC(c2cccc([N+](=O)[O-])c2)OC1C,0
CCc1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1,0
O=[N+]([O-])c1ccccc1/C=N/N1CCCCCC1,0
CCCCN(C)c1ncnc2[nH]ncc12.Cl,0
CCOC(=O)Cc1ccccc1,0
Nc1nc(Cl)c2ncn(CCCCCB(O)O)c2n1,0
CCCCCCO[C@@H](CN(C)C)C(Cl)(Cl)Cl,0
Cl.O[C@@H](c1cc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1,1
COc1ccc2nc3ccc(OC)cc3c([S@+]([O-])Cc3ccc([N+](=O)[O-])cc3)c2c1,1
COc1ccc(C(C#N)=Cc2ccc(NC(C)=O)cc2)cc1,0
Cc1ccccc1C(=O)NC1CCCCC1,0
Cn1c(=O)c2nncnc2n(C)c1=O,0
CC(C)c1ccc(C(=O)CN2CCOCC2)c(C(C)C)c1,0
O=C1C=C(Cc2cccc(Cc3ccc(O)c(O)c3)c2O)CCC1=O,1
Cc1ccc(NC(N)=O)cc1,0
CC(O)(c1ccccc1)c1ccccc1,0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,1
Nc1nc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)nnc1-c1cccc(Cl)c1Cl,1
C#CC(C)(O)CCCCCC.C#CC(C)(O)CCCCCC,0
Nc1c[nH]ccc1=O,0
O=c1c(N2CCOCC2)c(N2CCOCC2)c1=O,0
N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)CCC(=O)O)c1=O,1
O=C(NNC(=S)Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,1
N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
C=C(OP(=O)(OC)OC)Sc1ccccc1C,0
O=C1Nc2nc(=O)nc3[nH]c(=O)nc(n23)N1,0
CCCC[Sn+2]CCCC.COc1cccc(C(=O)[O-])c1[O-],1
COc1ccc(C(C#N)c2ccc(N=O)c(C)c2Cl)cc1,0
Clc1cc(Cl)c(OCC#CI)cc1Cl,1
C=CC(=O)N1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1,1
COC(=O)c1ccccc1N=NNc1ccc([N+](=O)[O-])cc1,0
O=C(CCl)c1ccc([N+](=O)[O-])o1,1
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2[nH]cnc12,1
CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)cc1,1
COc1ccc(CCNC(=O)c2c(C)[n+]([O-])c3ccc(F)cc3[n+]2[O-])cc1,0
CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ccccn1,1
COC(O)=c1c(O)c2cc(OC)c(OC)c(OC)c2c(-c2ccc3c(c2)OCO3)c1=C(O)OC,1
CNN(C)c1ccccc1C,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NCCN4CCN(C)C,1
O=C1C=C[C@H](O)[C@H]2C1C[C@]13SS[C@@]4(CC5C(=O)C=C[C@@H](O)[C@H]5N4C1=O)C(=O)N23,1
COC(=O)c1ccccc1C(=O)OC,0
O=C(O/C(=C/c1ccccc1)C(F)(F)F)c1ccccc1,0
CNCc1ccc(CNC)[nH]1,0
Cn1c2c(c3ccc(Cl)c(Cl)c31)[C@@H](C#N)C1(CCNCC1)NC2=O,1
Cc1cccc2c(N)c3cccc(C(=O)NCCCNCCN)c3nc12.Cl,1
O=C1NC(=O)C2(CCCc3c([N+](=O)[O-])cccc32)N1,0
COc1cc(C=C[N+](=O)[O-])cc(OC)c1OC,1
Nc1[nH]nc2ncccc12,0
Nc1cc(C(F)(F)F)ccc1Cl,0
COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CNC(=O)C=Cc1ccc(O)c(O)c1,1
Cc1cccc2c(=O)cc(-c3ccccc3)[nH]c12,1
CC(c1ccccc1)C(OC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccccc1,0
CN(C)c1ccc(/C=C2\C(=O)Nc3c2ccc(Cl)c3Cl)cc1,0
CN(C)CCCNc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-],1
O=C(OCc1ccccc1)N(CCCCN(CCCNCc1ccccc1)C(=O)OCc1ccccc1)CCCNCc1ccccc1,1
O=C(CCSCCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O,0
CC(=NN=C(N)N)c1c(C)nn(C(=N)N)c1C.Cl,0
O=[N+]([O-])c1cc(Cl)c(Cl)c([N+](=O)[O-])c1Cl,1
COc1cccc(-n2c(O)cc(-c3nc4ccccc4s3)c2N)c1,1
C=CN1CCCC1=O,0
Cn1c(=O)c2c(nc3sc4c(O)c5c(c(O)c4n32)C(=O)C=CC5=O)n(C)c1=O,1
O=C(Nc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl,1
O=C1CCC2(C=C(Br)C(=O)C(Br)=C2)O1,1
CC(=O)OC(C(=O)Nc1ncccn1)c1ccccc1,0
CCN(CC)CCCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23,1
Cc1ccc(NC(=O)Oc2ccc(Br)cc2Br)c([N+](=O)[O-])c1,0
C[C@@H](COc1ccccc1)OC(=O)Nc1ccccc1,0
O=S(=O)(O)c1cccc2cccnc12,0
O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccc(Cl)cc2Cl)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl,0
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C.[Cl-].[H+],0
C(=NNc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(-c2ccccc2)[nH]c2ccccc12,1
N=C(N)N=C(S)Nc1ccc(Cl)cc1,0
O=C(O)CNC(=O)CF,0
S=C(c1cccs1)N1CCN(c2ccccc2)CC1,0
S=c1[nH]ccc2ccccc12,0
CCCSc1ncnc2[nH]cnc12,0
COc1ccccc1/C=C/C(=O)c1ccccc1,1
CCC(C(N)=O)N1CCCC1=O,0
c1ccc(-c2nc3ccccc3[nH]2)nc1,0
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O,1
O=C(C(c1ccccc1)[C@@H](O)c1ccccc1)N1CCOCC1,0
CCCCC[C@H]1CC(=O)NC1(C(=O)OCC)C(=O)OCC,0
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)CN)cccc3nc2-1.Cl,1
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1O,1
Cn1ncc(CC(=O)O)c1NS(=O)(=O)c1ccccc1N,0
CC(=O)Oc1ccc(OC(C)=O)cc1,0
COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC,1
CC1=NC(C)=C(C(=O)OC(C)C)C(c2ccccc2[N+](=O)[O-])C1C(=O)OCCc1ccc([N+](=O)[O-])cc1,1
CCCCN(CCCC)C(=Nc1ccccc1)N(CCCC)CCCC,1
Nc1nnc2cc(F)ccc2n1,0
Cc1cccc(-c2cc(=O)c3c(C)ccnc3[nH]2)c1,1
C/C=C(\Cl)c1c(C)cc(C)cc1C,0
CN(C)CCC=C1c2ccccc2COc2ccccc21,0
CN(C)CCn1c(=O)c2ccc(NCCCN(C)CCCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccc(O)cc6c(=O)c3c45)c3c(=O)c4cc(O)ccc4n(c1=O)c23,1
O=[N+]([O-])C=Cc1ccc([N+](=O)[O-])cc1,1
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N/N=c4\scc(O)n4C)ncnc32)cc1,1
O=C(C1=NNC[C@@H]1c1ccc(Cl)cc1)c1ccccc1,0
Cc1cc([N+](=O)[O-])cc(Cl)c1O,0
O=C1NC(=S)N=C1Cc1ccco1,0
CN(C)CCn1c(=O)c2ccc(NCCNCCO)c3c(=O)c4cc(O)ccc4n(c1=O)c23,1
COc1cc(C2=NO[C@@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC,0
CC(=O)C(C)(C)Cc1cc(C(C)(C)CC=O)on1,0
Nc1cccc2c(S(=O)(=O)O)cccc12,0
Cn1c2ccccc2c2nnc(NN=Cc3ccccn3)nc21,1
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(OC)cccc12.CS(=O)(=O)O,1
CCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)C,1
CC(C)OP(=S)(OC(C)C)SC(=O)N(C)C,0
O=C1c2cc3c(cc2[C@@H]2C1c1ccc([N+](=O)[O-])cc1C(=O)N2CCCBr)OCO3,1
O[C@H]1[C@@H]2O[C@H](c3ccccc3)O[C@H]2[C@@H]2OC[C@H]1O2,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1.CCS(=O)(=O)O,1
O=[N+]([O-])c1ccc(NCSc2ccc(Cl)cc2)cc1,0
O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCCCCCN1C(=O)c2cccc3cccc(c23)C1=O,0
COc1ccnc2c1C(=O)c1nc3ccccc3c3ccnc-2c13,1
Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnn1-c1ccnc2c(C(F)(F)F)cccc12,1
COc1ccc(C=O)cc1,0
COc1cc2c(cc1OCCCN1CCN(CCCOc3cc4c(cc3OC)C(=O)C3CCCC3C=N4)CC1)N=CC1CCCC1C2=O,1
CCOC(=O)c1[nH]c(=S)n(-c2ccccc2)c1C(=O)OCC,0
CN(CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2)CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2,1
O=C(O)CSCc1nc2ccccc2[nH]1,0
CCc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2,1
Cn1c(=O)c2c(ncn2C)n(C)c1=O,0
COC(=O)c1cc(N)cc(C(=O)OC)c1,0
O=C(O)c1ccc(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1,0
O=c1cc2c(=O)oc3cc(O)c(O)oc3c2c(O)c1O,0
Cc1cc(C)c(O)c(CNCCCNCc2cc(C)cc(C)c2O)c1,1
CCc1cc2ccccc2oc1=O,0
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1,1
C[C@@H]1CN1C(=O)c1ccc(C(=O)N2C[C@H]2C)c2ccccc12,0
OC[C@@H](O)[C@H](O)C(C=NNc1ncnc2ccc(Br)cc12)=NNc1ncnc2ccc(Br)cc12,1
O=C1N(c2nncs2)CCN1[N+](=O)[O-],0
C[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@H](O)[C@@]1(C)C[C@@H]2O[N+](=O)[O-],1
CC(=O)C1CC[C@H]2[C@@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0
CCOC(COc1ccccc1)OCC,0
CSc1nc2c(c(C)c(-c3ccccc3)n2CCCCCC(=O)O)c2nc(O)cn12,0
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(O)cc12,1
CCCC[Sn](CCCC)(SC#N)SC#N,1
CC1=C(C)CC2(C(=O)NC(=S)NC2=O)[C@H](C)C1,0
Oc1cc(Cl)cc2cc(Cl)cnc12,1
COc1ccc2nc(NN=C(C)c3ccccn3)cc(C)c2c1,1
Cc1ccccc1NCCC#N,0
Nc1cc(=O)[nH]c(=S)[nH]1,0
Cc1c(-c2ccccc2Cl)nc2ccccc2c1C(=O)O,0
Cl.N[C@@H]1CC(=O)c2c(Cl)sc(Cl)c21,1
CC(C)(C)c1nc2c(o1)C(=O)c1ccccc1C2=O,1
O=C(Oc1ccc[nH]c1=O)c1cccc(Cl)c1,0
COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1,1
C=C1C[C@](C)(COc2ccc3ccc(=O)oc3c2)OC1=O,1
N#CC1(C#N)[C@@H]2C=C[C@@H]([C@@H]3C=CC[C@@H]32)C1(C#N)C#N,1
CN(C)CC(C(=O)c1ccccc1)c1ccccc1,1
COC(=O)C=C(Cn1c(O)ccc1O)OC,0
CC(=Cc1ccccc1)C=C1N=C(c2ccccc2)OC1=O,0
CC1(C)CC2C(=O)c3ccccc3N[C@H]2c2ccccc21,1
Cc1ccc(S(=O)(=O)N(C)CCN(C)S(=O)(=O)c2ccc(C)cc2)cc1,0
O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1,0
O=S(=O)(CCc1ccccc1)CS(=O)(=O)CCc1ccccc1,0
CCc1nc(NC(=O)CCl)c(C#N)cc1C,0
COc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)cc1OC,1
CCN(CC)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F,0
CC1(C)CCCC2(C)C(OCCO)=CC(=O)C=C12,0
C1=C(c2ccccc2)CCNC1,0
COC(=O)C1CCCN1C(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1,0
CCCCC(CC)COC(=O)c1cccc(C(=O)OCC(CC)CCCC)c1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1ccc(C#N)cc1)CC2,1
Cc1cc2c(cc1C)NP(=S)(c1ccccc1)N2,0
CC(=O)N(CC(=O)O)c1ccccc1,0
CC(C)Cc1nnc(N)s1,0
CC(=NNC(=S)N1CCCCC1)c1cccc(C)n1,1
CC1=C(C)CC2(C(=O)NC(=O)NC2=O)[C@H](C)C1,0
O=C(O)c1ccccc1O.Oc1cccc2cccnc12,1
CC1CN1CC(O)C(O)CN1CC1C,1
Cl.Nc1ncc(N)c(NC[C@]2(CO)C[C@@H](CCc3ccccc3)C2)n1,1
O=c1c(Br)ccc(Br)cc1Br,1
Cc1cccc(C=NNC(=S)N2CCCCCC2)n1,1
Clc1nnc2c3ccccc3ccn12,0
C=Cc1cccc2c(O)c(O)[nH]c12,0
COc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1,0
O[C@@H](Cc1ccccc1)c1ccccc1,0
CC1CN(C(=S)S)C(C)CN1,0
O=C1NC2(CCCCC2)OC12CCCCC2,0
CCCOP(=S)(N1CC1C)N1CC1(C)C,0
Nc1n[nH]c(=S)s1,0
O=C(c1ccccc1)c1ccc(-c2ccc(O)cc2)cc1,1
O=[N+]([O-])C(=C(Cl)Cl)C(Cl)=C(Cl)Cl,1
CC(C)OC(=O)CCCCCc1ccccc1,0
Cc1cc2nc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3n(-c3ccccc3)c-2cc1=N.Cl,1
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Cl)c1,0
CC(=O)O[C@@H]1CC[C@@]2(C)C(=C[C@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1,0
O=C(NCC(F)([N+](=O)[O-])[N+](=O)[O-])N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-],1
CC(C)=CC1CCC(CN(C)C)C1=O.Cl,1
Cc1c2ccnc(C(O)=NCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12.Cl,1
CCC1(CC)CNC(=O)NC1,0
Cn1c(N)c(N=O)c(=O)n(C)c1=S,0
ON=C1CCCCCC1=NO,0
COc1ccc(OC[C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1,0
COc1ccc(C(=O)COc2cccc(/C=C3\Oc4ccc5ccccc5c4C3=O)c2)cc1,1
C[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=N)O1,0
CC1=Nc2cc(NC(=O)OCCF)nc(N)c2NC1c1ccccc1.ClC(Cl)Cl,1
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0
Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c1O,1
C=C(CN1CCN(c2ccccn2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CCOC(=O)ONc1c(C2=c3ccccc3=NC2=O)[nH]c2ccccc12,1
CS(=O)(=O)O.O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCN=c2ccc3ncn4c5ccccc5c(O)c2c34)CC1,1
Cc1ccc(N2CCN(CCO)CC2)cc1,0
C(=N/N1CCCCCC1)\c1ccc2c(c1)OCO2,0
O=[N+]([O-])c1ccc(Oc2cccnc2)c([N+](=O)[O-])c1,1
Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(Oc3ccccc3)cc12.[I-],1
C=CCn1c(SC)nccc1=O,0
O=c1[nH]c2cc(Cl)c(Br)cc2o1,0
C/C(=C\c1ccc2c(c1)OCO2)[N+](=O)[O-],1
C=C1CC(c2ccc(OCCCN3C(=O)c4ccccc4C3=O)c(OC)c2)OC1=O,1
O=C1NCCN1c1ncc([N+](=O)[O-])s1,0
O=C1OCC2=C1C(c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3,1
COc1cc2nc3sc4c(n3c(=O)c2cc1OC)C(=O)N(c1ccc(C(=O)OC(C)C)cc1)C4=O,0
Cc1nnc(NN=O)nc1C.[Na+],0
CCCCCCCCCCCCCCCCOC[C@@H](C[P@](=O)([O-])OCC[n+]1ccccc1)OC,1
CSc1nc(N)nc(N)n1,0
O=C(OC1CCCCC1)C(=O)OC1CCCCC1,0
COc1ccc(-c2c[nH]c(-c3ccc(F)cc3)n2)cc1,1
Cc1cccc(CSc2ncnc3[nH]cnc23)n1,0
CNC(=O)C1(c2ccccc2)CCCCC1,0
CCC(=O)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1,1
Cc1ccc2ccccc2c1[N+](=O)[O-],0
CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN(C)C)c3cc(N)ccc3n(c1=O)c24,1
COc1ccc(C(c2c(C)c(O)c3ccccc3c2O)=c2ccc(=C(C)C)cc(O)c2=O)cc1,1
Cc1c(N)c(S(N)(=O)=O)cc(S(N)(=O)=O)c1Cl,0
Nc1nc(N)c2nc3c(nc2n1)CCCCCCCCCC3,1
N#CC1C(=N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1,1
c1ccc(CSc2ccccc2CN2CCN(Cc3ccccc3SCc3ccccc3)CCN(Cc3ccccc3SCc3ccccc3)CC2)cc1,1
CCCCCCC[C@@H]1c2c(c(O)n(-c3ccc(OC)cc3)c2O)-c2[nH]c3ccccc3c2[C@@H]1C,1
S=C(NN=CC(=NNC(=S)N1CCCCC1)c1ccccc1)N1CCCCC1,1
O=C(N[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1,0
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,0
COc1ccc(-c2ccc(=O)oc2C#Cc2cc(OC)c(OC)c(OC)c2)cc1O,1
O=C(NNc1ccccc1)c1ccc(Cl)c(Cl)c1,1
CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@@H]1C2.[O-][Cl+3]([O-])([O-])O,1
COc1ccc(CN2CCOC2=O)cc1OC,0
CC(O)C(C)(C)S(=O)(=O)CCCc1ccccc1,0
ON=Cc1ccc(Cl)cc1Cl,0
O=C(O)CNC(=O)CNC(=O)C(Br)Cc1ccccc1,0
Cc1ccc(S(=O)(=O)NC(=O)Nc2nccs2)cc1,0
Cl.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccccc2o1,1
CS(=O)(=O)c1nc(=O)c2[nH]c(=O)[nH]c2[nH]1,0
COc1cc2c3c(n(CCCNCCNCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
COc1ccccc1C=CC(=O)c1ccccc1,1
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43,0
CCCCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC,1
CC1(C)CC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)=NN1,1
O=[N+]([O-])O.c1ccc(CN[C@H]2C[C@@H](NCc3ccccn3)C[C@@H](NCc3ccccn3)C2)nc1,1
O=[N+]([O-])c1ccc(NN=CCCc2ccccc2)nc1,0
Fc1cccc(CNCCCl)c1,0
Cc1cc(C)c(C#N)c(OCC2CCCO2)n1,0
Cl.c1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c21,1
COc1ccc2c(-c3csc(-c4c[nH]c5ccccc45)n3)c[nH]c2c1,1
Cc1cc(=O)n(-c2cccc(S(=O)(=O)O)c2)[nH]1,0
COc1cc(-c2oc(=O)ccc2C#Cc2ccccn2)cc(OC)c1OC,1
C1CC[C@H]2N[C@@H]3CCCC[C@H]3[C@@H]2C1,0
O=C(/C=C\C(=O)OC1CCCCC1)OC1CCCCC1,0
CC(=O)Nc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2,1
Oc1ccc(CCC2CCCCC2)c(O)c1,0
CC/N=C1\Cn2c(nc3scc(-c4ccccc4)c3c2=O)CN1CC,0
CSc1nc(C)c(Br)c(N)n1,0
O=c1[nH][nH]c(=O)c2cc([N+](=O)[O-])ccc12,0
Cc1ccccc1NC(=O)N(O)C1(C#N)CCCCC1,0
C(=C/c1ccco1)\c1ccco1,0
CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12,1
O=S(=O)(O)c1cc(O)c2c(S(=O)(=O)O)cccc2c1,0
CCN(CCO)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.Cl,1
CC(=O)n1cc(C2CC(=O)OC3=C2CC(=O)C(C)(C)C3)c2ccccc21,0
CCOCCOCCN1CNc2[nH]c(N)nc(=O)c2C1,0
CC1(C)CC1C(=O)O,0
Nc1c2c(nc3ccccc13)-c1ccccc1CC2,1
CC(O)CO,0
OC[C@@H]1CN1C1CCCCC1,0
Cc1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1,0
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(O)C(NC(=O)c3cccc(Cl)c3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
c1ccc2c(c1)nc(NCCN1CCNCC1)c1c3ccccc3[nH]c21,1
N#CC(C(=O)CCCO)c1nc(=O)c2ccccc2[nH]1,0
COc1ccc(/C=C2\COc3ccc(-c4ccccc4)cc3C2=O)cc1O,1
O=C1c2ccccc2-c2ccccc2C1(Cl)Cl,1
C1CCC(NCCNC2CCCCC2)CC1,0
O=[N+]([O-])c1ccc(Oc2ccccc2)cc1,0
COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12.Cl,1
N#CC(C#N)N=Nc1ccccc1Cl,0
COc1cc2c(NCCN(C)C)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5,1
COc1ccc(-n2c(O)c3c(c2O)-c2[nH]c4ccccc4c2[C@H](c2ccc(Br)cc2)C3)cc1,1
CCc1cccc(OC(=O)CCl)c1,0
CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CN)CCC[C@]21C.O=C(O)c1ccccc1,1
COc1ccc2c(c1)=C(Cc1c(Cl)n(-c3ccccc3)c3ccccc13)C(=O)N=2,1
CC(C)=CC=CC(C)c1c(O)c(O)c(C)c(Nc2ccccc2I)c1O,1
CC(C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
O=c1c2ccccc2sc2c(CO)ccc(NCCN3CCCCC3)c12,1
CC(C)=NN=C(C)C,0
O=c1cc(C2CCCCC2)[nH]c(=O)[nH]1,0
C=CCOC(=O)NC(CCC(=O)OCC)C(=O)OCC,0
Cc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)cc1,0
CC(=O)CC(=O)Nc1cccc(NC(=O)CC(C)=O)n1,0
C[C@H]1CC/C(=C/c2ccc(F)cc2)C(=O)/C1=C\c1ccc(F)cc1,1
CCN(CC)CCNc1ccc2nnn3c4ccc(OC)cc4c(=O)c1c23,1
c1ccc(Nc2cccs2)nc1,0
NP(N)(=O)c1ccc(Cl)cc1,0
O=C(O)c1ccccc1C(=O)O[C@@H]1CCC[C@@H]2CCC[C@H]21,0
CCCCN(CCCC)CC(C)(C)C(O)c1ccc(OC)c2ccccc12,1
O=C1c2ccccc2C(=O)N1CCS,0
COc1cc(N)c2ncccc2c1Cl,0
Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O,1
COc1cc(-c2cn(-c3ccc(-n4cc(-c5cc(OC)c(OC)c(OC)c5)[nH]c4=O)cc3)c(=O)[nH]2)cc(OC)c1OC,0
Cc1ccccc1N(C=O)c1ccccc1C,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccccc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)C2C(=O)OC[C@@H]21)OCO3,1
Cc1cc(N=Nc2cccc(S(=O)(=O)O)c2C)c(N)cc1N,0
C=CCNc1c(O)cc2c(O)c1C=C(C)C[C@@H](OC)[C@H](OC(=O)CCCN(C)C)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)N2,1
CCCC(OC(C)=O)P(=O)(OCC)OCC,0
Cl.NC[C@H](O)c1ccc(O)cc1,0
CCOC(=O)c1cc([N+](=O)[O-])c(Sc2ncnc3[nH]cnc23)c([N+](=O)[O-])c1,1
CC(C)C(NC(=O)c1ccccc1)C(=O)O.c1ccc2c(c1)ccn2CCCN1CCCCC1,0
O=C(Nc1cccc([N+](=O)[O-])c1)NN1CCCCCC1,0
C#CC(C)OCC1CNC(=S)O1,0
CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,1
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)[nH]c2cc1OCCN(C)C.Cl,1
COc1ccc(-c2csc(-c3c(O)cn(C(C)C)c3N)n2)cc1OC,0
O=C(CC(=O)Nc1ccccc1)NN[C@H](c1cc(N=Nc2ccc(Br)cc2)ccc1O)[PH](=O)O,1
COC(=O)c1cccc(F)c1C(=O)c1cccc2ccccc12,0
Cl.NC(=O)c1[nH]cnc1N,0
CCN(CCCl)CCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,1
Cc1ccc(C)c2c1[C@](O)(C#Cc1ccccc1)c1ccccc1[C@@]2(O)C#Cc1ccccc1,1
CCCCn1c(O)c2c(c1O)[C@H]1C=C[C@@H]2C1,0
COc1cc2c3c(n(CCCN=C4NCCS4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
Oc1ccc(CNCc2ccccc2)c2cccnc12,1
Cc1ccc2c(C)ccc(C)c2c1,0
CCOC(=O)c1nc(=O)c2c3c(sc2[nH]1)CCCC3,0
CN([O-])C=S.CN([O-])C=S.[Cu+2],1
COc1ccc2cc(-c3ccoc(=O)c3-c3cc(OC)c(OC)c(OC)c3)ccc2c1,1
O=C1C(=Cc2ccccc2)CN(C(=O)OCC(Cl)(Cl)Cl)CC1=Cc1ccccc1,1
COc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1,1
Cn1c(=O)oc(=O)c2ccccc21,0
Cc1cccc(C2NC(=O)c3ccccc3N2)c1,1
C[C@]1([C@H]2CC[C@]3(C)O[C@@H]3C2)CO1,0
COCO[C@@H]1C=CCCCCC(=O)C(C)C#CC1,1
C[C@@H]1CC=CCC1(CO)CO,0
CC(=O)OCC1=C(C)CC(C(C)C2CCC3C4CC5OC56C(OC(C)=O)C=CC(=O)C6(C)C4CCC23C)OC1=O,1
CC(C)CCN=C(N)c1ccc(N2CCN(c3ccc(C(=N)NCCC(C)C)cc3)CC2)cc1.Cl,1
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,1
COc1cc2c(cc1OC)[C@H](Cl)C(c1ccc(Cl)c(Cl)c1)=C2Cl,1
C=CCC(CC)(C(=O)O)C(=O)O,0
Oc1ccccc1C=Nn1c(O)csc1=S,0
CC(C)CCSc1nc(N)nc2[nH]cnc12,0
CC(=NNc1nc2ccccc2o1)c1cnccn1,1
CCCCCCCC(=O)O[C@H]1[C@H]2C(CC1(C)C)C(=O)[C@]13OC1C(=O)[C@]1(CO1)[C@]23C,1
Oc1ccc(S)cc1,0
O=C(OCc1ccccc1)c1ccccc1,0
CCCCCCCCCCCCNP(=S)(NCCCCCCCCCCCC)NCCCCCCCCCCCC,0
Nc1nccc(N2CCCCC2)n1,0
CC(C)CCSC1=CC(=O)c2ccccc2C1=O,1
CCCCCC(=C(C#N)C(=O)OCC)c1ccccc1,0
COc1c(NC=O)c2c(c([N+](=O)[O-])c1OC)C(=O)OC2,0
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)NC)[nH]c(=O)c12,0
CCC(C)NC(=S)NN=C(C)c1ccccn1,1
C=C1CC[C@@H]2[C@@](C)(COC(C)=O)[C@@H](O)CC[C@@]2(C)[C@H]1/C=C/C1=CCOC1=O,0
Oc1cc2ccccc2c(-c2c(O)c(O)cc3ccccc23)c1O,1
Cc1cc(=O)[nH]c(NN2C(Cl)C(=O)C2c2ccc(O)cc2)n1,1
O=C(Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2,0
CC(Cl)(CCl)C(N)=O,0
Cl.NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12,1
Cc1nn(C(=O)c2c(-c3ccccc3)noc2C)c(C)c1/N=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
Cc1ccc2nc3c(C(O)=NCCN(C)C)cccc3nc2c1.Cl,1
O=C(O)C(CCCc1ccccc1)C(=O)O,0
COc1ccc2nc3c(C(O)=NCCN(C)C)cccc3nc2c1.Cl,1
O=c1ncn(C2CCCCC2)c(=O)[nH]1,0
c1ccc([Ge](Oc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1,1
COc1cc2c(cc1OC)C(C(=O)O)[C@H](c1ccc3c(c1)OCO3)N(C)C2=O,0
C[C@@H](NCCO)c1ccccc1,0
O=C(/C=C/c1ccccc1)N(C(=O)CC(=O)n1[nH]c(-c2ccccc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1=O)c1ccc(Cl)cc1,1
c1ccc(C(=NNc2nc3ccccc3[nH]2)c2ccccn2)nc1,1
CCN(CC)CCOc1ccc(C2=C(c3ccccc3)CCc3cc(OC)ccc32)cc1,1
CSc1ncnc2c1ncn2[C@@H]1CCCCO1,0
O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc(Br)c1,1
C=c1c(=Cc2oc3cc(OC)ccc3c2O)c(=O)n(-c2ccccc2)n1C,0
Clc1ccccc1N=Nc1ccccn1,0
CCCCCCCCOC(=O)Nc1ccc(OCC)cc1,0
OCCc1ccsc1-c1sc(-c2cc(CCO)c(-c3sc(-c4cc(CCO)c(-c5sccc5CCO)s4)cc3CCO)s2)cc1CCO,1
CC(=O)Nc1nc(C)c(C(=O)NNC(=O)Nc2ccccc2)s1,0
CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1.Cl,1
CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1,0
CCCC(=O)N=CC(=O)O,0
COc1ccc(OC)c(CCc2cc(OC)ccc2OC)c1,1
COc1ccccc1/C=N/NC(=O)c1ccncc1,0
COc1ccc2c(NCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1,1
Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1,0
COc1ccc(N/N=C(\CCN(C)C)c2ccccc2)cc1.Cl,1
CCCCCC(C=C(C#N)C#N)=Cc1ccccc1,1
CCN(CC)C[C@H](O)CNc1ccnc2c(Cl)ccc(Cl)c12,0
CC(=NNC(=S)N1C[C@H]2CC[C@H](CC2)C1)c1cccc(C)n1,1
Cc1c2cc[nH]cc2c(C)c2c1nc1ccc(OCC(F)(F)F)cc12,1
CCOC(=O)c1[nH]c(=S)[nH]c1C,0
COc1ccccc1N=c1scc(O)n1Cc1ccco1,0
COc1ccccc1NN=C(C#N)C(N)=O,0
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3COC(=O)N32)cc(OC)c1O,1
Nc1ncnn2c([C@H]3O[C@H](CO)[C@H](O)[C@H]3O)ccc12,1
CCC[Sn+2]CCC.CCC[Sn+2]CCC.CSc1ncccc1C(=O)[O-].CSc1ncccc1C(=O)[O-].[O-2],1
CCCCCCCC/C=C\CCCCCCCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0
CC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,0
CC(=O)N(c1ccccc1C)c1ccccc1C,0
CCN(CC)c1ccc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)cc1,1
CCCCCOC(=O)N1CCCCC1CC,0
C=CCC1(Cc2ccsc2)C(=O)NC(=O)NC1=O,0
C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccccc1,1
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1cccc(C(F)(F)F)c1,0
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCn4ccc(CO)c4CO)cn3C)cn2C)cn1C,1
CCn1c2ccccc2c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc21,1
CCOC(=O)/C(=C\c1cccc(OC)c1)C(C)=O,0
CC(C)c1ccc(C=NNc2ccc([N+](=O)[O-])cn2)cc1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@](O)(C(=O)CO)C[C@H]1O[C@H]1C[C@@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1)C3=O,1
Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(N)CCCCN.Cl,1
O=[N+]([O-])c1cncn1CCN1CCOCC1,0
CCCCOc1ccc(C(=O)OCCNCC(C)C)cc1N,0
CC(=NNC(=S)NNC(=S)N(C)c1ccccc1)c1ccccn1,1
O=[P@](O)(Cc1ccccc1)c1ccccc1,0
Cl.N=C(N)SCc1ccc2c(c1)Sc1ccccc1O2,1
CC(C)(Br)[C@@H](Br)CC/C(=C/CBr)CBr.CC(C)(Br)[C@@H](Br)CC/C(=C/CBr)CBr,1
O=C(COc1cccc(/C=C2\Cc3ccccc3C2=O)c1)c1ccc(Cl)cc1,0
CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC,1
O=c1c(Cl)c(Cl)cnn1CCCl,1
O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[Na+],0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Oc3ccc(F)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
COc1ccc2c(c1)sc1nc3nc4sc5cc(Cl)c(Cl)cc5n4c(=N)c3c(=N)n12,0
C#CCN1CCN(C(=S)NN=C(C)c2ccccn2)CC1,1
O=C(c1ccc([N+](=O)[O-])cc1)c1ccccn1,0
Cn1c2c(c(=O)[nH]c1=O)N=C1c3ccccc3C(=O)C1[C@@]1(CC(=O)c3ccccc31)N2,0
CO[C@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@@H](O)[C@@]2(C)O)O[C@H](C)[C@H]1O,1
Oc1ccc(C=NN=Cc2ccco2)c(O)c1,0
COC(=O)C1=C(C)N=C(C)C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1.Cl,1
CN(C)CCC(=O)c1ccc(O)cc1,0
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,1
COc1cc(CC#N)c([N+](=O)[O-])cc1OC,0
CC(=O)C1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0
COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.[I-],1
O=C1C(Br)=CC(Br)(Br)C=C1Br,0
C#C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CCC4[C@H]3CC[C@@]21C,0
Clc1ccccc1SCCBr,0
N=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0
CN(C)CC(Oc1ccccc1)c1ccccc1,0
O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1C(O)(C(F)(F)Cl)C(F)(F)Cl,1
CCC1(c2ccccc2)C(=O)NCNC1=O,0
OC1CCCSC1,0
N#Cc1c(Oc2ccc(Cl)cc2)nc2sc3cc(Cl)c(Cl)cc3n2c1=O,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@](O)(C(=O)CO)C[C@@H]1O[C@@H]1C[C@@H](N)[C@@H](I)[C@H](C)O1)C3=O.Cl,1
CCOC(=O)c1[nH]c(CO)c(C(=O)OCC)c1C,0
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1N,0
CC(C)CCN(C(=O)CCl)c1ccccc1,0
O=C1CCCCC1C(=O)C(F)(F)F,0
CSc1ccc(Cl)c(C(=O)Nc2sccc2C(N)=O)c1,0
Cl.N=C(N)N/N=C/c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc2sccn12,1
CN(C)S(=O)(=O)N1C(=O)c2ccccc2C1=O,0
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@H]1O[C@@H](C)[C@H](OC)[C@H](O)[C@H]1OC)[C@H](OC)[C@](C)(O)C3=O.[Na+],1
N#Cc1c(N)n2c(nc1=Nc1ccc(Cl)cc1)sc1cc(Cl)ccc12,1
CC1(C)[C@H](O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@@]23OC[C@]4(CC[C@@](C)(C=O)C[C@H]42)[C@@H](O)C[C@@]13C,1
CC[C@@H]1CCCCN1C(=S)NN=C(C)c1ccccn1,1
COc1ccc(-c2nc3c(C(=O)NCCN(C)C)cccc3c3ccccc23)cc1.Cl,1
CC(NC(=O)CCl)C(=O)O,0
O=C1c2cccc(NCCN=Cc3ccccc3O)c2C(=O)c2c(NCCN=Cc3ccccc3O)cccc21,1
Cc1[nH]c2ccccc2c(=O)c1CNCc1ccccc1,0
NC(=S)c1c(N)n(C2OC(CO)C(O)C2O)c2ncnc(N)c12,1
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0
Brc1cnc(OCc2ccccc2)nc1OCc1ccccc1,0
CCCC[C@@H]1CCCCN1C(=O)OCC(C)C,0
Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1,0
CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC,0
COc1cc([C@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)C23)OCO4)cc(OC)c1OC,1
O=S1(=O)CC(Br)C(Br)C1,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@@H]1C[C@H](N)[C@@H](O)[C@@H](C)O1)C3=O.Cl,1
N=C(N)NN=Cc1cc(Br)ccc1O,0
CN(C)c1nc(=O)c2cnn(C)c2[nH]1,0
COc1cc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc(OC)c1OC,1
COC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1N/N=C/c1c(Cl)cccc1Cl,1
C/C(=N\NC(N)=S)c1ccc2c(c1)Sc1ccccc1O2,1
N#CCCC(CCC#N)(CCC#N)C(=O)c1ccc(Cl)c(Cl)c1,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.CS(=O)(=O)O,1
CCN(CC)CCCNc1[nH]c(=O)nc(C)c1C(=O)Nc1c2ccccc2nc2ccccc12,1
COC(=O)c1nccnc1N,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)cc1F,0
CC[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3,1
O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1nc(=O)cc(Cl)[nH]1,0
CN(C)CCN=C(O)c1cccc2nc3ccc4cccnc4c3nc12.Cl,1
CC(=O)Nc1c(C)[nH]c(N)nc1=O,0
Cc1ccc(S(=O)(=O)SCCCSS(=O)(=O)c2ccc(C)cc2)cc1,0
Nc1cc(=O)n(-c2ccccc2)[nH]1,0
CCCCCCC=CCCCCCCCCCc1c(O)c(OC)cc(O)c1CN(C)C.Cl,1
C=c1[nH]n(-c2ccccc2Cl)c(=O)c1=Cc1c[nH]c2ccccc12,0
CN=CC(=O)Nc1ccc2c(O)c3cc(NC(=O)CNC)ccc3c(O)c2c1,1
CC(C)(O)CN(C(=O)c1ccccc1)C1CCCCC1,0
CC(=O)c1cc(C(C)=O)cc(C(C)=O)c1,0
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2cccc(S(=O)(=O)F)c2)c1.CCS(=O)(=O)O,1
Nc1c(Cl)cc(C(=O)NC2CC2)cc1Cl,0
Cc1cccc(N2CCN(C(C)C(N)=O)CC2)c1,0
NC(=O)NC(=O)c1ccc(NC(=O)CBr)cc1,1
CC(=O)O.CC(=O)[O-].Cc1cccc2nc3cccc(C(=O)NCCC[N+](C)(CCCN=C(O)c4cccc5nc6cccc(C)c6nc45)Cc4ccc([N+](=O)[O-])n4C)c3nc12,1
S=C(c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1,0
COc1ccc(NC(=S)NN=Cc2cccc(C)n2)cc1,1
COc1ccc(C(C#N)N2CCCCC2)cc1,0
CCOP(=O)(OCC)C(O)c1ccccc1,0
CCCCN(CCCC)CCCN,0
CC[C@@H](C)NC(=O)CC(C)C,0
NC(=O)c1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c2ncnc(N)c12,1
CC(C)(C)C(=O)CCCCCCCC/C=C/CCC[C@@H](O)c1ccco1,0
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(C(=O)c2ccccc2)cc1,0
CN(C)c1ccc(CSc2ccccc2)cc1,0
ClC(Cl)(Cl)C1OCCCO1,0
Oc1cc(CNCc2ccccc2)c(O)cc1CNCc1ccccc1,0
O=C1O[C@@H](c2ccccc2)Sc2ccccc21,0
O=c1[nH]nc(-c2nn(-c3ccc(Cl)cc3)cc2O)o1,1
COC(O)=c1cc(O)c(=C(O)OC)cc1O,0
CS(=O)(=O)Sc1ccc(Cl)cc1,1
COc1cc(C2c3[nH]c4ccccc4c3CC3COC(=O)N32)cc(OC)c1OC,1
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,1
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccncc1,0
[N-]=[N+]=NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(F)ccc1-2,1
COc1ccc(CCNC(=O)c2ccc(N=C3C(=O)N(Cc4ccccc4)C(=O)C3Cl)cc2)cc1OC,1
CC1=NN(c2ccccc2)[C@@H](c2ccco2)C1,0
CC[C@@H]1COC[C@H]1Cc1cncn1C.O=[N+]([O-])O,0
O=C(O)c1cnnc2ccccc12,0
Nc1nnnn1-c1ccccc1,0
CSc1nc(=S)cc(C)[nH]1,0
CN(C)C=Nc1ccc(S(=O)(=O)c2ccc(N=CN(C)C)cc2)cc1,0
O=C1C(Br)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,1
COc1ccc(C(=O)C[n+]2cc3ccccc3cc2C)cc1.[I-],0
Brc1c(NC2=NCCN2)ccc2nccnc12,0
C/C(=C1\C(=O)Nc2ccccc21)c1cccc(C(C)C2=c3ccccc3=NC2=O)n1,1
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)N(CCCN(C)C)C(=S)N4CCCN(C)C.Cl,1
CC(=O)C(=NNc1ccc(-c2nc3ccc(C)c(S(=O)(=O)O)c3s2)cc1)C(=O)Nc1ccccc1.[Na+],0
N=C(N)n1c(N)nc2ccccc2c1=O,0
CCCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1,0
CCN(CC)C(=O)Cn1cc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCOc1cccc2nc3cccc(C(O)=NCCN(C)C)c3nc12.Cl,1
CCOc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
O=C(O)c1cc(I)cc(I)c1O,0
CC(C)OC(=O)Nc1ccccc1,0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO[P@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO[P@](=O)(O)O[C@@H]3C[C@@H](n4cc(F)c(=O)[nH]c4=O)O[C@@H]3CO)O2)cc1F,1
CCOC(=O)C1CN(CC)C(=O)C1=O,0
CC(=O)c1nc2ccccc2n1CC(=O)c1ccccc1,1
CN(O)S(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1,0
COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,1
COC(=O)c1ccc(CNC(=O)c2ccccc2C(=O)NCC2(CBr)OCCO2)cc1,0
CSc1ccc(N)cc1,0
CC(=O)Nc1cccc([As](=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1,0
C[C@]12CC([C@@H](O)C(F)(F)F)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0
COc1cccc(C=NNC(=O)c2ccccc2N2CCCC2)c1O,1
Cc1ccc([C@@H]2NC(=O)c3ccccc3N2)s1,1
COc1cc(-n2cncc2-c2ccc3ccccc3c2)cc(OC)c1OC,1
Cc1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc1,0
CCN1CCCSC1=S,0
CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)-c3c(c(O)n(-c4ccccc4)c3O)[C@H]2C1,1
CCCCCSc1nc(N)nc2[nH]cnc12,0
CCCCCc1ccc(C(=O)N2CCN(C)CC2)cc1,0
COc1ccc2c(-c3ccc(O)cc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1,1
COc1ccc2c3/c(=C\c4ccc(N(C)C)cc4)c4ccccc4n3[n+](C)c2c1.O=S(=O)([O-])C(F)(F)F,1
Clc1ccccc1-c1nnc(Cn2cnnc2)o1,0
Cl.[O-][n+]1ccc(NO)c2ccccc21,1
N=C1CC(=N)c2ccccc2C1=O,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(O)CO)CC1OC1CC2C(OC4COCC(C#N)N42)C(C)O1)C3=O,1
CCN(CC)Cc1c(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc(OC)c1O.Cl,1
OCCN1CCSC1=S,0
CCN(CCO)CC(C)Nc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12,1
C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O,1
CC(C)(C)N[C@@H](C1=CC(C)(C)c2ccccc2C1=O)c1ccccc1,1
O=C1O/C(=C\c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21,0
Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1C=Nc1ccc(-c2nc(Cc3ccccc3)sc2C)cc1,1
Nc1c2ccccc2nc2ccc3c(=O)cc(-c4ccccc4)oc3c12,1
O=C(O)CSc1nc2ccccc2s1,0
O=C(CCl)Nc1ccccc1,0
O=c1[nH]cnc(O)c1[N+](=O)[O-],0
CN[C@@H](C)[C@@H](O)c1ccccc1.[Cl-].[H+],0
CCCCOS(=O)(=O)c1ccc(C)cc1,0
Cc1ccccc1[C@H](c1ccccc1Cl)N(C)C,0
Cl.NCCCCC(N)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1Cl,1
O=C(O)C(CCCc1ccccc1)C(=O)O,0
O=C(O)C=CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,0
CC(=O)c1cc(O)c2ccccc2c1O,0
CN(C)S(=O)(=O)C(C)(C)c1ccccc1,0
CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccc(Cl)cc21,1
CC(=O)C(C)(C)C,0
c1ccc(-c2c(-c3[nH]c4ccccc4c3-c3ccccc3)[nH]c3ccccc23)cc1,1
C#Cc1c(I)n([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)c(=O)[nH]c1=O,1
O=C(NN=Cc1cccc(O)c1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1,1
COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)c(Cl)c1[C@H](NC(C)=O)CC2,1
CCOC(=O)c1c[nH]c2c(Cl)c(Cl)ccc2c1=O,0
CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,1
N#Cc1c(N2CCCC2)nc2sc3cc(Cl)c(Cl)cc3n2c1=N,0
CCOC(CCC#N)c1ccc(Cl)cc1,0
Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(-c3ccc(Cl)cc3)c2cc1C,1
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)nc(OC)n2)cc1,0
CC(C)C(=O)Nc1cccc(Cl)c1,0
CON(C)/N=N/c1ccc(C(N)=O)cc1,0
Cc1nc2cc(Cl)ccc2c(=O)n1-c1c(CC(=O)O)cnn1C,0
NC(=O)NN=C1CC2CC1C1C=CCC21,0
NC[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl.O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O,1
O=C(CBr)OCCC1CCCCC1,0
COCCCn1cnn2c(=O)c3ccccc3nc2c1=O,0
CC1(C)SC(C)(C)N(C=O)C1C(=O)O,0
Nc1nc2ccc(Br)cc2o1,0
Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(O)c2)cc1,0
CN(C)c1ccccc1Br,0
CCOC(=O)/C=C(\C(=O)OCC)n1ccc(=O)n(CC(=O)OCC)c1=O,1
Nc1nc(-c2cc3ccccc3o2)cc(=O)c(=O)[nH]1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C(N)Cc1c[nH]c2ccccc12.Cl,1
Cc1cc(NCCN(C(C)C)C(C)C)[nH]c(=NC(=N)Nc2ccc(Cl)c(C(F)(F)F)c2)n1,1
C[C@](Cl)(/C=C/Cl)[C@H](Cl)/C=C/[C@](Cl)(CCl)CBr,1
O=S1(=O)CC(c2ccccc2)=NN=C(c2ccccc2)C1,0
CCCOC(=O)NC(C)(C)C,0
C=CCN1C(=O)C[C@H](Cc2ccccc2)NC(=O)C[C@H](Cc2ccccc2)N(CC=C)C(=O)C[C@H](Cc2ccccc2)NC(=O)C[C@@H]1Cc1ccccc1,1
CCCCOC(=O)c1ccccc1C(=O)OC(C)C(=O)OCCCC,0
Cc1cccc2c1[nH]c(=O)c1c3ccccc3cn21,1
Cc1c(Cl)cccc1Nc1ncccc1C(=O)OC[C@@H](O)CO,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1ccccc1)CC2,1
C[C@H](O)CO[C@H](C)c1ccccc1,0
O=C(Nc1cccc2ccccc12)c1cc2ccccc2cc1O,1
CCN(CCO)CCNc1ccc(C)c2sc3ccccc3c(=O)c12,1
S=c1[nH]c(Cl)cc2nc(Cl)cn12,1
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CCl,0
O=C1C=CC(C2(c3ccc(O)cc3)OC(=O)c3ccc(Cl)c4cccc2c34)=CC1.O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(Cl)c3cccc1c23,1
CCCCn1cnc2c(SCc3cccc(F)c3)nc(N)nc21,0
O=C1CCN(Cc2ccco2)C(=S)N1,0
CCCCOC(=O)c1ccccc1C(=O)c1ccccc1,0
COc1cc2ccc(/C=C\[N+](=O)[O-])cc2cc1OC,1
Cc1ncnc(N)c1CCCNc1ccccc1,0
N#Cc1c(-c2ccco2)[nH]c(SCC(=O)Nc2cccc(Cl)c2)nc1=O,0
COc1ccc(C(=O)Cn2c(C(=O)c3ccc(OC)cc3)nc3ccccc32)cc1,1
CN(C)CCNC(=O)c1cccc2c(NC(CS)C(=O)O)c3ccccc3nc12,1
CCCCCCCCCCCC1=N[C@](C)(COC(=O)c2ccccc2)CO1,0
Clc1cc(Cl)c2c(c1)CN(Cc1ccccc1)CO2,0
CCN(CC)c1ccc(/N=C2\C=C(Cl)C(=O)c3ncccc32)c(C)c1,1
CCOc1ccncc1[N+](=O)[O-],0
COc1cccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)c1OC,1
Cn1nc(C(=O)O)c(=O)n(C)c1=O,0
Nc1nc(-c2ccccc2/N=N/N2CCCC2)nc2ccccc12,1
c1ccc2[nH]c(-c3ccncc3)nc2c1,0
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,0
Nc1ccc(Cl)nc1,0
Cc1ccc(S(=O)(=O)n2cc(-c3cnc(N)c(Br)n3)c3ccccc32)cc1,1
Nn1cc(O)[nH]c1=O,0
CCNC(=O)OCc1cnc(C)c(OC(=O)NCC)c1COC(=O)NCC,0
COC(=O)c1ccc(OC)cc1,0
CCN(CC)CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2.Cl,1
Cl.O=C(CCN1CCOCC1)C(=Cc1ccccc1)c1ccccc1,1
COc1cccc(/C=N/NC(N)=S)c1,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
Cc1cc(NS(=O)(=O)c2ccccc2)c(OS(=O)(=O)c2ccccc2)cc1C,0
CCOC(=O)c1nc2c(nc1C(=O)OCC)C(=O)c1ccccc1C2=O,1
Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)cc(CC(O)(C(F)(F)F)C(F)(F)F)n1,1
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CC=C(c4ccccc4)c4ccccc4)CCC32)C1,0
CN[C@@H](C)[C@H](O)c1ccccc1.[Cl-].[H+],0
O=C1C(=Cc2ccc(O)c(O)c2)COc2ccc(-c3ccccc3)cc21,1
Cc1cc(CCC(=O)NCCNc2c3ccccc3nc3ccccc23)cc(C)c1O[Si](C)(C)C(C)(C)C,1
COc1ccc2nc3ccccc3c(NCCNCC(C)O)c2c1,1
Nc1ncnc2c([C@H]3O[C@H](CO)[C@H](O)[C@H]3O)scc12,1
CN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O,0
CC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O,0
S=C=NCCc1ccccc1,1
COc1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21,0
Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,0
COc1cc2c(cc1OC)[C@@H](Nc1ccc(F)cc1)[C@H]1COC(=O)C1[C@H]2c1cc(OC)c(O)c(OC)c1,1
C=C(CN1CCN(c2ccccc2C(F)(F)F)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CN([O-])C=S.CN([O-])C=S.[Ni+2],1
CCCCOc1ccccc1I,0
Cc1ccc(NC(=S)NNC(=S)Nc2ccc(C)cc2)cc1,1
O=C(C=CC(=O)OCCOc1ccccc1)OCCOc1ccccc1,0
O=c1cc(-c2ccccc2)[nH]c2cc(F)c(F)cc12,1
O=C1CCCCC1Nc1ccc([N+](=O)[O-])cc1,0
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1,0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(O)cc43)[nH]c2c(OC)c1OC,1
CC(=O)NCCSC(=O)C(=O)SCCNC(C)=O,0
Cc1ccc(S(=O)(=O)N2CCN3CCN(CCN(C)CCN4CCN(CC4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN4CCN(CCN(C)CCN5CCN(CC5)CCN(S(=O)(=O)c5ccc(C)cc5)CCN(S(=O)(=O)c5ccc(C)cc5)CCN(S(=O)(=O)c5ccc(C)cc5)CC2)CC4)CC3)cc1,1
O=C1N=C(Cc2c(O)ccc3ccccc23)C(=O)N1,1
CCOC(=O)CN(C)CC(=O)OCC,0
C=CCC(N)Cc1ccccc1.[Cl-].[H+],1
Cc1cc(C)n(C(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)n1,0
CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2OC)[C@H]1C)OCO3,1
O=[N+]([O-])c1ccc(NCc2ccccc2)nc1,0
CCC(=O)OCCc1ccccc1,0
COc1cc(C2C3=C(O)OCC3C(OCCN)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
O=[N+]([O-])/C(Cl)=C(/C(Cl)=C(Cl)Cl)N1CCOCC1,1
CN1CCN(CC2C(=O)C3CCC2C3)CC1,0
CN1CCN(CN2N=C3c4ccsc4CCC[C@H]3CC2=O)CC1,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)c([N+](=O)[O-])c1,1
Cl.ClCCN1CCOCC1,0
COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C,1
COc1ccc(NC(=S)N/N=C/c2ccc(Cl)cc2)cc1,0
CCN(CC)C(C)(O)CN,0
CCOc1ccccc1N,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)no1,1
CCC12CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2.O=S(=O)(O)O,1
CC[C@]1(C)CO[C@@H](c2ccc(OC)c(OC)c2)OC1,0
Nc1nc(N)c2c(n1)N[C@@H](c1ccccc1)CC(C=Cc1ccc(Cl)cc1)=N2,1
O=C1C=Cc2c(c3[nH]c4ccccc4c3c3c(O)[nH]c(O)c23)CC1,1
CCc1ccc2[nH]c(O)c(-c3[nH]c4ccccc4c3N=O)c2c1,1
CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)c1,1
O=C1CCC2(CCCCC2)N1,0
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)C(C(C)=O)[C@H](C(C(C)=O)C(C)=O)C[C@@H]32)C1,0
Cn1c(=O)c2c(nc(CNC(=O)c3ccccc3)n2C)n(C)c1=O,0
CCCCC[C@]1(/C=N/NC(N)=O)NC(=O)NC1=O,0
NNC(=O)c1nc[nH]c1C(=O)NN,0
CCOC(=O)Nc1nccs1,0
CCSc1ncc(Br)c(Sc2nc(N)nc3[nH]cnc23)n1,1
C/C=C(/C[N+](=O)[O-])c1ccccc1,0
CNC(=O)C(=Cc1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
Cc1ccc2c(C)cccc2c1,0
CC(=O)Nc1ccc2[nH]c(-c3cccc(Cl)c3)cc(=O)c2c1,1
CC(=O)Nc1cc2c3ccccc3ccc2c2ccccc12,0
O=C(c1ccccc1)c1coc(-c2ccccc2)c1,0
CCOC(=O)COc1c(OC)cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC,1
CC(=NNC(=S)Nc1ccc(C)cc1)c1nc2cccnc2[nH]1,1
O=S(=O)(O)CCN1CCN(CCO)CC1,0
CC(=O)NC1C(=O)O[C@H]([C@@H](O)CO)[C@@H]1O,0
CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1COC2=O,0
Cc1ccccc1N[P@]1(=O)OCCCN1Cc1ccccc1Cl,0
CS(=O)(=O)Oc1ccc(Br)c2cccnc12,0
CC(=O)C1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C,0
CCOP(=O)(OCC)C(C#N)=Cc1ccc(N(C)C)cc1,0
CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43,1
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1,1
CC1CN(C2CCCCC2)C(=S)NC1=O,0
O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)cc1,1
OC[C@@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O,0
COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)c(O)c1,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)CN)cccc3nc2-1.Cl,1
CN1C(=O)C(Br)(Br)CC1c1cccnc1,0
Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc(C)n1,0
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCN)OCO2,1
Cl.NCCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
CSc1ccccc1NC(=O)CN(C)Cc1c(O)ccc2cc(Br)ccc12,0
CN(C)P(=O)(OCCOc1ccc(Cl)cc1Cl)N(C)C,0
ON=C(C[n+]1ccccc1)c1ccc2ccccc2c1.[I-],0
CC[C@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[Na+],1
CNC(=O)Oc1cccc(CN(C)C)c1,0
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1
Cc1cn(C(C)C)c(=O)n(-c2ccccc2)c1=O,0
COC1=CC(=O)c2c(cc(CO[P@@](N)(=O)N(CCCl)CCCl)n2C)C1=O,1
C=C(OP(=O)(OC)OC)Sc1ccccc1C,0
O=c1onc(-c2ccccc2)c2ccccc12,0
Nc1nc(N)c2c(n1)N[C@H](c1ccc(Cl)cc1)C1CCc3ccccc3C1=N2,1
Cc1cc2c(cc1C)[n+]([O-])c(C(F)(F)F)c(C(=O)c1cccs1)[n+]2[O-],1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccoc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
CC[C@@H](C)Nc1ccc(N)cc1,1
CC1(C)[C@](C)(C(=O)O)CC[C@]1(N)C(=O)O.O=S(=O)(O)O,0
O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(F)c1,0
CN1NC(=O)c2ccccc2NC1=S,0
CC(=O)C1(c2ccccc2)CCNCC1,0
O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)nc1,1
COc1c2ccccc2c(O)c2c(=O)ccn(C)c12,1
CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO.[Cl-],1
COc1cc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O,1
CCN1CCN(c2ccccc2)CC1,0
c1ccc(NC2CCCCC2)cc1,0
COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl,1
O=S(=O)(O)c1ccc([Sb](=O)(O)O)cc1.[Na+],0
COC(c1ccccc1)(c1ccccc1)N(C)C,0
O=C1C(=CC=Cc2ccccc2)CCCC1=CC=Cc1ccccc1,0
COc1cccc2c1Cc1ccccc1-2,0
O=C(O)c1cccc2cccnc12,0
CC(=O)c1ccc2c(c1)CCCC2,0
O=C1c2ccccc2C(=O)N1CCCCCCN1C(=O)c2ccccc2C1=O,0
C=COC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
NS(=O)(=O)c1cc[n+]([O-])c2ccccc12,0
O=C1C(=O)C(=Cc2ccccc2)CCCCCCC1=Cc1ccccc1,1
O=C(NCCCNCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1cc(-c2ccccc2)nc2ccccc12,1
CCOC(=O)C(Br)c1cccc(OC)c1,0
O=C(Nc1cccc2c1C(=O)c1ccc(Nc3cc(NC(=O)c4ccccc4)c4c(c3)C(=O)c3ccccc3C4=O)cc1C2=O)c1ccccc1,0
Nc1nc(=O)c2cc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)ccc2[nH]1,1
COC(C)CCOC(=O)c1cccc(C)c1,0
CCCCCCCCCCCCCC(=O)P(=O)(OCC)OCC,0
Nc1ccc(Br)cc1C(F)(F)F,0
Cl.O=[N+]([O-])c1ccc(-[n+]2ccc3ccccc3c2)c([N+](=O)[O-])c1,1
Nc1nc(=O)c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(N)[nH]1,0
CCOC(=O)C(CC)c1cc2n(c(=O)c1C#N)CCC21OCCO1,0
ON=C1CCCCCCC1,0
O[C@@H](CN1CCCCC1)c1ccc2c3c(cccc13)CC2,0
NC(=O)NC1(C(=O)O)CCCC1,0
Cl.c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1,1
CC(=O)c1ccc2c(c1)CCN2,0
C#CC1(N2CCCCC2)CCCCC1,0
Clc1ncnc2c1ncn2[C@@H]1CCCCO1,0
CNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
CCCN(CCC)C(=O)C(C)C,0
C[C@@]12CC[C@@H]3[C@H](CC=C4CC(=O)CC[C@]43CF)[C@H]1CCC2=O,0
CC1CN(CC(=O)c2ccc(Cl)cc2)CC(C)O1,0
O=S(=O)(NN=Cc1ccc(O)cc1O)c1cc(Cl)c(Cl)cc1Cl,0
CCN(CC)CCCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23,1
CCOC(=O)CC(S[P@]1(=S)OC[C@@]2(CCCCO2)[C@@H]([C@H]2CCCCO2)O1)C(=O)OCC,0
COc1c(CCl)cc(-c2cc(=O)c3ccccc3s2)cc1CCl,1
C=CCOc1ccnc(-c2ccccc2)n1,0
C=CC(O)CCCCC,0
CN1C(=O)C(C)(C2=CCCCC2)C(=O)NC1=S,0
CN(C)c1ccc(C(=NNC(=O)c2cc3ccccc3[nH]2)c2ccc(N(C)C)cc2)cc1,1
CC(C)(CCC(=S)N1CCOCC1)c1ccccc1,0
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC,0
CCCCCC(=O)OC(C)COc1ccccc1,0
Cc1cc2c(cc1C)N(C(=O)CCl)CCN2C(=O)CCl,1
COC1OCCCC1Br,0
Nc1ccc(N)c2c(O)c3ccccc3c(O)c12,0
Cc1ccc(C(=O)O)c([N+](=O)[O-])c1OCc1ccccc1,0
CCCC[Sn+](CCCC)SCC(=O)[O-],1
Nc1cc(Cl)ncn1,0
CCCON=Cc1cccc(C)n1,0
CCOC(=O)NC(C=Cc1ccccc1)NC(=O)OCC,0
CC=C(Br)C(=O)N1CCCCC1,0
NC(=O)C(O)=NO,0
COc1ccc(C(=O)OCOC(=O)c2ccc(OC)cc2)cc1,0
N#CCc1ccc(Sc2ccccc2)cc1,0
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C,1
CCN(CC)c1sc(N(CC)CC)c2c1SSSSS2,1
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,1
COc1ccc(C(=O)COc2ccc(/C=C3\CSc4ccc(C)cc4C3=O)cc2)cc1,0
CC(=O)O[C@@H](C)c1cc2c(s1)C(=O)c1ccsc1C2=O,1
CC(=O)C1(O)C(C)CC2C3C=C(C)C4=Cc5c(cnn5-c5ccccc5)CC4(C)C3C(O)CC21C,1
COc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1,1
O=C(CC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1,0
CN1C(=O)c2ccccc2S1(=O)=O,0
[As+3].[As+3].[O-2].[O-2].[O-2],1
O=c1n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc2[nH]cc[n+]12.[Cl-],0
C(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1,1
Cl[Bi]1(Cl)SC(N2CCOCC2)=[SH]1,1
CN(C)C(=S)/N=c1\ssc(=S)n1Cc1cccs1,1
NS(=O)(=O)c1ccc(N=NNc2ccc(C(=O)O)cc2)cc1,0
CCOC(=O)NNC(=S)Nc1ccccc1,0
CCOC(=O)Nc1cc(=O)c([N+](=O)[O-])c(N)[nH]1,0
Cc1cc2c3ccccc3ncn2n1,0
CSCCC(NCCC(=O)O)C(=O)O,0
Nc1nn(C(=O)c2ccncc2)cc1-c1ccc(Cl)cc1,0
CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C([C@@H](C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O,0
NC1=Nc2nnc3nnnc(n23)N1.[Na+],0
O=C(Nc1ccc(Cl)cc1)Nn1cnc2ccccc21,0
Nc1nc2cc(Cl)c(Br)cc2o1,0
O=C(Nc1cccc(Cl)c1)ON1CCCCC1,0
Nc1nc(Sc2ccc([N+](=O)[O-])c3nonc23)c2[nH]cnc2n1,1
Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)CN(C)C)ccc1Oc1ncc(Br)cn1.Cl,1
CCCCCCCCCCCCCCSSCCCCCCCCCCCCCC,0
Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1O,0
CC(=O)OCc1ncccc1OC(C)=O,0
COC(=O)Nc1nc2ccccc2[nH]1,1
CC1(c2ccc(Cl)cc2)OC(=O)C(=Cc2ccc([N+](=O)[O-])s2)C(=O)O1,0
CCCCOP1(=O)C=C(C)C(=C(Cl)Cl)C(C)=C1,1
C[C@@H]1CNC2(CCCCC2)O1,0
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C,1
Cc1ccc(Nc2c(O)c3c(c4ccccc24)OC(C)(C)C=C3)cc1,1
CC(C)N(c1cc(=O)nc2ccccn12)C(C)C,0
COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCCC1)O2,1
O=C1/C(=C\c2cccc(Br)c2)CSC/C1=C/c1cccc(Br)c1,1
CC1CN1P(=O)(c1ccccc1)N1CC1C,0
CC1(C)[C@H](O)C(C)(C)[C@H]1O,0
O=S(=O)(O)c1ccc(O)cc1,0
CCNC(=O)Oc1ccc[nH]c1=O,0
O=[N+]([O-])c1ccc(O)c(CCl)c1,0
CCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0
COc1cc2[nH]c(Cc3ccc(C#N)cc3)nc(=O)c2cc1OC,0
COc1ccc2c(c1)N[P@](=S)(c1ccccc1)N2,0
C[C@]1(c2ccc3ccccc3c2)CCC(=O)O1,0
Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(Cc3ccccc3)C(=O)O[C@H]2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(Cc4ccccc4)C(=O)O[C@@H]3C)c1=N2,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(C(=O)N[C@H]5CCc6cc(OC)c(OC)c(OC)c6-c6ccc(SC)c(=O)cc65)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(O)/C(=C\c1ccccc1)c1ccccc1,0
COc1cc2c3c(n(CCCNCCCNCCCn4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.O=C(O)C(F)(F)F,1
COc1cc(C(=O)OC(C(=O)NCCCCCNC(=O)C(OC(=O)c2cc(OC)cc3c(C)cccc23)[C@]2(C)CO2)[C@]2(C)CO2)c2cccc(C)c2c1,1
Br.O=C1c2cccc3cccc(c23)C(=O)N1CCCNCCCNCCCCNCCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O,1
Oc1c2c(c(O)n1-c1ccccc1)[C@H]1c3ccccc3[C@@H]2c2c(O)n(-c3ccccc3)c(O)c21,1
COC(=O)c1cccc([N+](=O)[O-])c1,0
Cc1ccc(S(=O)(=O)Nc2cc(C)cc(CCNC=O)c2C)cc1,0
C#CC(C)(C)OC(=O)Nc1ccccc1,0
CCCOC(=O)N1CCCCC1C,0
CCOC(=O)C(c1ccccc1)C(C)N,0
ON=C(CN1CCCCC1)c1ccccc1,0
O=C(O)C(=Cc1ccc(O)cc1)c1ccccc1,0
ClC1=C(Cl)C(Cl)=C(Cl)C1=Cc1ccc(Cl)cc1Cl,1
I[Bi]1(I)SC(N2CCOCC2)=[SH]1,1
CC1CNC(=S)N1,0
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,0
N#C[C@H](NNC(=O)c1ccccc1O)c1c(O)ccc2ccccc12,1
COC(=O)c1ccc(NC(=O)O/N=C(\Cl)C(C)C)cc1,1
CC(=O)C(C=NC(N)=O)C(C)=O,0
CCCC(=O)Oc1ccc(C(C)(C)C)cc1,0
COCC1C(=O)c2cc3c(cc2C12C=CC1(C=C2)OCCO1)OCO3,1
CC1(C)N=C(N)N=C(N)N1c1cccc(C=CC=Cc2cccc([N+](=O)[O-])c2)c1,1
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.CS(=O)(=O)O,1
NC(=O)NC1CCCCC1,0
CCOC(=O)C(=Cc1cccc(OC)c1)N(CC)CC,0
O=C(COc1ccc(/C=C2\CSc3ccccc3C2=O)cc1)Nc1nccs1,1
CCCCCCCCCCCCOC(=O)CCN1CC1,0
CSc1nc(-c2ccco2)c(C#N)c(=O)n1C,0
Cc1cn2c(/C=N/N=C(N)N)c(-c3ccsc3)nc2s1.Cl,1
COc1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1,1
CC[C@@H](CO)Nc1nc2ccc(Cl)cc2c2ccccc12,1
N#CCc1ccnc2ccccc12,0
Br.COc1c2c(cc3c1OCO3)CCN(C)C2,0
COc1c(O)c(OC)c(Br)c(Br)c1Br,0
Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,0
C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,1
CCOC(=O)n1cnc2ncnc(SC)c21,0
N#CC(NNC(=O)c1ccccc1O)c1ccccc1,1
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H](N(C)C)[C@@H](O[C@H]3C[C@@H](O)[C@@H](O[C@H]4CCC(=O)C(C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(O)c4c(c(O)c3c2O)C(=O)C=CC4=O)C1C(=O)OC,1
CCCC(=O)OCC1OC(n2cnc3c(=S)[nH]cnc32)C(OC(=O)CCC)C1OC(=O)CCC,1
N=NC1=C(c2ccccc2)N=NC1=O,0
CC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1C,0
CC1=[N+](C)C(C)(C)C[C@@H](C)O1.[I-],0
O=C(c1nn(-c2ccc(Cl)cc2)cc1O)n1nc(C(F)(F)F)cc1-c1ccccc1,1
CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O,1
O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1,0
Oc1ccc(O)n1-c1ccccc1,0
O=c1cc[nH]cn1,0
N=c1c2ccccc2nnn1-c1ccccc1[N+](=O)[O-],0
Cc1ccc(C2CCCCC2)cc1Br,0
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2C=O)cc1OC,0
CC(=O)c1cc2c(s1)C(=O)c1ccsc1C2=O,1
Cc1cccc(Cc2ccccc2C(=O)c2cccc3ccccc23)c1,0
CCN(CC)C1CCCCC1,0
NS(=O)(=O)c1ccc2ccccc2c1,0
C=c1ccc2c(O)c(O)c3ccc(=C)c(C)c3c2c1C,1
Cn1c(N2CCOCC2)nc(-c2ccco2)c(C#N)c1=O,0
O=C1C(Cl)=C(N2CCC[C@@H]2CO)C(=O)c2c(O)ccc(O)c21,1
C=CCCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O,0
C=c1[nH]c2ccc(NCCN(CC)CC)c3c(=O)c4cc(O)ccc4n1c23.Cl,1
CCCCCCCCCCCC1N=C(N)N=C(CCCO)C1C(=O)OC,1
COc1ccc2nc3ccccc3c(NCCN(CCCl)CCCl)c2c1.Cl,1
CSc1n[nH]c(-c2cccs2)n1,0
CCCCCCOC(=O)N1CCN(c2ccccc2)CC1,0
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC(=O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3,0
COc1ccc(OC2OC(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(O)C(O)C2O)cc1,1
CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,1
CC(C)(C)N,0
O=C1C(=C(c2ccccc2)N2CCOCC2)Cc2ccccc21,1
O=S(=O)(Nc1ccc2ccccc2c1)N1CCCCC1,1
NCc1ccc(S(N)(=O)=O)cc1,0
CCOC(=O)N1CCc2cc(OC)c(OC)c3c2c1cc1cc(OC)c(OC)cc13,1
c1coc(C2=N[C@H](c3ccco3)[C@@H](c3ccco3)N2)c1,0
CC(C)(O)Cc1ccccc1Cl,0
O=c1cc(-c2cccs2)[nH]c2cc3c(cc12)OCO3,1
NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1,0
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2)cn1,0
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(S(=O)(=O)O)c2ccccc12.[Na+],0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1.CCS(=O)(=O)O,1
CCC(=O)C1C(=O)c2ccccc2C1=O,0
O=C(O)C[C@@H]1Cc2ccccc2C1C(=O)O,0
O=C1NC(c2cccc3ccccc23)Nc2ccccc21,1
Cc1ccc(N(N)C(N)=O)cc1,0
O=C(NNCc1ccccc1O)c1ccccc1O,1
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,0
CC(C)(COC(=O)C(c1ccccc1)c1ccccc1)CN1CCOCC1,0
COc1ccc2[nH]c3c(C)c4cnccc4c(C)c3c2c1,1
[O-][S+](c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
Cc1nc2cc(C)c(C)cc2o1,0
CN(C)c1ccc(/C=C/C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1,1
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(=O)O,1
Cl.NCCNCCCCCCNC(=O)c1cccc2cc3ccccc3nc12,1
ClC(Cl)(Cl)C1OCCO1,0
CCNC(=S)NN=C(C)c1cccc(C(C)=NNC(=S)NCC)n1,1
Nc1ccccc1C#C/C=C\C#Cc1ccccc1OC(F)(F)F,1
C=c1cc2[nH]c(O)c(O)c2cc1=C,0
Nc1nc(N)nc(N)n1,0
C=C(C)C(=O)O[C@H]1C[C@H](COC(C)=O)[C@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,1
COc1cc([C@H]2c3cc4c(cc3O[C@@H](NCc3ccccc3)[C@H]2C)OCO4)cc(OC)c1OC,1
Nc1nc[nH]n1,0
Br.C(=NNC1=NCCN1)c1cccc2cc3ccncc3nc12,1
Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1.O=C(O)C(=O)O,1
Cc1ccc(S(=O)(=O)O[C@H]2C(C)(C)[C@@H](OS(=O)(=O)c3ccc(C)cc3)C2(C)C)cc1,0
CCNc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
COCO[C@@H]1CC2C=Nc3cc(OCc4ccccc4)c(OC)cc3C(=O)N2C1,1
CN(C)CCCN1c2ccc3ccccc3c2Sc2cccc(Cl)c21,1
O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc(F)cc1,1
CCCCN(CCCC)C(=O)C(C)OC(C)=O,0
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(OC(=O)CCCC(=O)NCCCN(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(OC(C)=O)CO[C@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C.Cl,1
CC(C)(C)c1cc(C(C)(C)C)c2c(c1O)OC(=O)CS2,1
O=C1C=CC(=O)c2c1c1c(c3c2[C@H]2c4ccccc4C3c3ccccc32)C2c3ccccc3[C@H]1c1ccccc12,1
CCCCNC(=O)OCn1cnc2c(SCCC)ncnc21,0
O=C(NCc1ccccc1)OCCO,0
COc1cc(OC)cc(-n2cc(-c3ccc(Cl)c(Cl)c3)[nH]c2=S)c1,0
CCOC(=O)N1CCCCCC1,0
B.COc1ccc(/C(Cl)=C(\CN(C)C)c2ccc(OC)c(OC)c2)cc1OC,1
CC1CCN(C([S])=S)CC1.CC1CCN(C([S])=S)CC1.[Cu+2],1
CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1
Cc1cc2c(cc1C)NC(=O)CC(c1ccccc1)=N2,0
FC(F)(F)c1cccc(-c2nc3nc(Cl)c(Cl)nc3[nH]2)c1,1
C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@@H]3c4csc(n4)[C@@H]4NC(=O)c5csc(n5)[C@H]([C@@](C)(O)[C@@H](C)O)NC(=O)C5CSC(=N5)C(=CC)N=C(O)C([C@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)C(C)NC(=O)C(C)=NC(=O)C(C)=NC(=O)C(C(C)C)N[C@H]2C=Cc3c([C@@H](C)O)cc(nc3[C@@H]2O)C(=O)O[C@H]4C)n1)C(N)=O,1
Nc1nc(N)n2c(N)nnc2n1,0
Cc1ccc(-c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cn1,1
COC(=O)c1cc2c(cc1O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2,1
CCOc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1,1
Cl.N=C(N)c1ccc(N=Nc2c(O)ccc3c2[nH]c2ccccc23)cc1,1
CC(=O)Nc1ccc2c(c1)-c1ccc(F)cc1C2,0
C[C@](O)(c1ccc(Cl)cc1)C(c1ccccc1)c1ccccn1,0
COc1cc(C=CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])ccc1O,0
O=C1NC(=O)C(=Cc2cn(C(=O)c3ccccc3)c3ccccc23)C(=O)N1,0
O[C@@H]1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@]1(Cc3ccccc3[C@@H]1O)[C@H]2c1ccccc1,1
COc1cc(-c2ccc3c(=O)n(C)c(SC)nc3n2)cc(OC)c1OC,0
O=[N+]([O-])c1cccc(C=NN=Cc2ccccc2O)c1,0
CN(C)c1ccc(C=C2C=CC=C2)cc1,0
O=C1c2ccccc2C(=O)c2sc(Nc3cccc(Cl)c3)nc21,1
Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
CC(C)c1cc(N=O)cc(C(C)C)c1O,0
COc1ccc([C@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)C23)OCO4)c(OC)c1,1
C=CC[N+]1(CCO)CCN=C1CCCCCCCCCCCCC.[Cl-],1
Cc1cc(C)c(C(=O)CC(=O)c2cccnc2)c(C)c1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(CO)C2,1
COC(=O)c1cccc(N[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)C3C(=O)OC[C@@H]32)OCO4)c1,1
O=C(O)c1ccccc1N=Nc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.[Na+],1
C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1ccc2ccccc2n1,0
CC(=O)Cc1ccc(C)cc1,0
O=C1CC(=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O,1
OC1CCC(C2CCCCC2)CC1,0
CN(c1ccccc1)c1c2ccccc2nc2[nH]c3ccccc3c12,1
NC(=O)c1c(Br)n(C2OC(CO)C(O)C2O)c2ncnc(N)c12,1
C=c1c(O)c2c(c(O)c1NC)=C(COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21,1
CCC(C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1,0
CSc1nc(NC=O)cc(=O)n1C,0
CNC(=O)Oc1cccn(C(=O)NC)c1=O,0
CC(=O)c1cc2c(s1)C(=O)c1ccccc1C2=O,1
CCCN1CSC(=S)N(CCC)C1,0
Cc1ccc(NCc2oc(=O)c(CNc3ccc(C)cc3)c(O)c2CO)cc1,0
COc1ccccc1/C=C/C1=C(C)CC[C@H](c2ccccc2OC)[C@@H]1C,1
COC1=CC(=O)c2c(cc(CO[P@](=O)(OC[C@@H]3O[C@@H](n4cc(F)c(=O)[nH]c4=O)C[C@@H]3O)N(C)CCCCCl)n2C)C1=O,1
COC(=O)c1ccc([N+](=O)[O-])cc1,0
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(C(=O)O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,1
COC(=O)C(C)C1Sc2ccccc2NC1=O,0
O=S1(=O)N=C2Oc3ccccc3N2c2ccncc21,0
COc1ccc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC,1
Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2O,0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC.O=S(=O)([O-])C(F)(F)F,1
CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O,1
Oc1cc(Br)cc2cccnc12,1
CC(C)C1(O)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,1
COc1ccc2nc3c(C(O)=NCCN(C)C)cccc3cc2c1.Cl,1
CCOC(=O)CC(C(=O)OCC)P(c1ccccc1)c1ccccc1,0
O[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1CN1CCOCC1,0
CCn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21,0
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1S(=O)(=O)O.[Na+],0
CCN(CC)c1ccc2nc3ccc(N(CC)CC)cc3[o+]c2c1.[Cl-],1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1,1
CCc1c(N)nc(N)nc1Nc1ccccc1Cl,0
O=C1NCCNC1c1ccccc1,0
O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)CCc1ccccc1,0
COc1ccc(C(=O)c2ccccc2C(=O)O)cc1,0
OCCCN1CCN(c2cccc(Cl)c2)CC1,0
CC(C)Cn1cnc2c(SCc3ccccc3)nc(N)nc21,0
COC(=O)C(=O)CC(=O)c1cc2cc(Cl)ccc2o1,0
Cn1cc(NC(=O)Nc2cc(C(=O)O)n(C)c2)cc1C(=O)O,0
COc1cc(C2c3cc4c(cc3C(NCCN3CCCCC3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Cc1ccc(C)c(NS(C)(=O)=O)c1,0
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12,1
O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl,1
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC,1
COc1ccc(NC(=O)Oc2cc(C)ccc2C(C)C)cc1,0
N#C/C(=C\c1ccccc1)c1ccccc1,0
Cc1ccc(-n2nnnc2N)c(C)c1,0
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@]6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32,1
CN1C(=O)CC[C@]2(c3ccccc3)CCC(=O)C=C12,0
c1cnc2ccc3c(c2c1)COCO3,0
CCOP(=S)(OCC)OCC,0
c1cc(OCCCCCOc2cccc(-c3nc4ccccc4[nH]3)c2)cc(-c2nc3ccccc3[nH]2)c1,1
OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)C[C@H]1O,0
CC(CC(C)C)=NO,0
CC(=O)c1ccc2c(c1)C(=O)c1sc(C(C)=O)cc1C2=O,1
O=C(CC(=NO)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)N1CCCC1,0
CCCCc1c2c(nc3c1CC/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CCCC2,1
N#Cc1c(N)n2c(nc1=Nc1ccc(Cl)cc1)sc1cc(Cl)c(Cl)cc12,0
OC[C@H]1O[C@H](c2scc3c(=S)[nH]cnc23)[C@@H](O)[C@H]1O,1
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)NC(C)C)[nH]c(=O)c12,0
CC(C)(C)NC(C1=CC(C)(C)c2ccccc2C1=O)c1ccccc1,1
COc1cccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)c1,0
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C,1
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1.CCS(=O)(=O)O,1
Cc1ccc(NC(=S)NNC(=S)Nc2ccc(C)cc2)cc1,1
CCOc1c2ccsc2c(OCC)c2ccsc12,1
Cc1c(O)c(Br)c(Br)c(Br)c1Br,0
CC(=O)Nc1cccc(OCc2cccc([N+](=O)[O-])c2)c1,0
O=C(Nc1c(Cl)cccc1Cl)Oc1c(Br)cc(Br)cc1Br,0
c1ccc(CSCc2ccccc2)cc1,0
Cl.NCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
O=[N+]([O-])c1ccc(N/N=C/c2cccc3ccccc23)cc1,0
O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c2cccnc12,1
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccco1)SC(=N)N2,1
COCCOP(=O)(N1CC1C)N1CC1C,0
O=C(O)CC(O)CC(O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,1
c1ccc(C(=NNc2nc3ccccc3s2)C2CCCCC2)nc1,1
C[C@@H](C#N)N1CCN(c2ccccc2Cl)CC1,0
Cc1cc(C)c(C#N)c(Cl)n1,0
Cc1cnc(C)c2ccccc12,0
NC(=O)C1CC2(C1)CC(C(N)=O)C2,0
CN1C(=O)[C@@]2(Cc3cn([C@]45C[C@]67SS[C@](CO)(C(=O)N6[C@H]4Nc4ccccc45)N(C)C7=O)c4ccccc34)SS[C@]1(CO)C(=O)N2C,1
C[C@@H]1CC[P+](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21.F[PH](F)(F)(F)(F)F,1
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,0
COC(=O)c1ccc(C)cc1,0
CCN(CC)C(=S)NN=C(C)c1cccc(C(C)=NNC(=S)N(CC)CC)n1,1
C=C(CC(NC(=O)c1ccc(C(CC)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O,1
CCc1cnc(=S)n(-c2ccccc2)c1,0
COc1cc(CNC2CCCCC2)ccc1O,0
CSc1cccc(NC(=O)N2CCN(C)CC2)c1,0
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,1
O=C(O)CSc1ccccc1,0
COC(=O)C1C2CC(Br)C(C2)C1C(=O)OC,0
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C3C(=CC(COC(C)=O)c4c3c(O)c3cccc(O)c3c4O)C[C@@H]12,0
O=C1c2ccccc2C(=O)c2c(NCCN=Cc3ccccc3O)cccc21,1
COC(OC)[C@]1(CCc2ccccc2)NC(=O)NC1=O,0
CN(C)CCNC(=O)c1cccc2cc([N+](=O)[O-])ccc12.Cl,1
Nc1[nH]oc(=O)c1C1CCCCC1,0
O=C(O)CCCc1ccc(Cl)cc1,0
Cc1cc(C)cc(OCC(=O)O)c1,0
Cl.N=C(N)N=C(N)N1CCOCC1,0
COc1ccc2c(ccc(=O)n2C)c1,0
COc1ccc2c(c1)C(=O)c1c-2n(CCCCl)c(=O)c2cc([N+](=O)[O-])ccc12,1
CC(C)OP(=O)(OC(C)C)C(O)C(Cl)(Cl)Cl,0
CCOC(=O)Cn1c(O)csc1=S,0
Cc1c(C(=O)NCCc2ccccc2)[n+]([O-])c2cc(F)ccc2[n+]1[O-],0
NC(=O)C1CC2(C1)CC(C(N)=O)C2,0
O=C(CCCCCN=C1CC(=O)c2ccccc2C1=O)NCCC[Se]c1ccccc1,0
CC12CCC3C(=CCc4cc(O)ccc43)C1CC(=NO)C2O,0
COC(=O)c1cc(CN(C)C)c(O)c(CN(C)C)c1,0
O[C@@]1(c2ccccc2)C[C@@H]2CC[C@H]1C2,0
CC1=CC(=O)c2ccccc2C1=O,1
Cc1sc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c(/C=N/N=C(N)N)n2c1C.Cl,1
c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,1
O=Cc1c[nH]c2ccc(NC(=O)OCc3ccccc3)cc12,0
N#CCC(=O)N1CCCCC1,0
CC(=O)Nc1cc([As](=O)([O-])O)ccc1O.[Na+],0
Nc1ncnc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1
c1ccc2c(c1)nc1n2CCC1,0
O=C1NC(=S)NC(=O)C1=Cc1ccccc1C(=O)O,0
c1ccc(CCNCc2cccs2)nc1,0
CCC(C)(C)c1ccc([N+](=O)[O-])cc1,0
CC1(C)CC(=O)CC(C)(C)N1O,0
CCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)C(F)(F)F)CC2,1
O=c1c2ccccc2n2nnc3ccc(NCCNCCO)c1c32,1
O=c1c(Cl)c(Cl)cnn1CCCl,1
N#CC(C#N)=Cc1ccccc1F,0
Cc1onc(-c2c(F)cccc2Cl)c1-c1ncc(-c2ccc(Cl)cc2)o1,1
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1,0
O=C(O)c1cc(N2CCCC2)ccn1,0
CC(=O)c1cccc(NC(=O)C(=O)NNc2n[nH]c(=S)n2N)c1,1
Nc1nc(=O)c2nnn(C3OC(CO)C(O)C3O)c2[nH]1,1
OC(Cc1ccccc1)Cc1ccccc1,0
O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1,1
N#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1,0
CC(=O)Oc1ccc(Cl)cc1Cl,0
O=C(OCC1CCCO1)c1ccccc1,0
CCCCC1N=CNc2c1ccc1c2[nH]c2ccccc21,1
COC(=O)C(=Cc1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
CC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(C)=O)N3c3[nH]c(-c4ccccc4)cc3N12,0
CCCCCCCCCCCCCC(=O)O[C@@H](/C=C/C(C)C)[C@H](O)[C@H](O)C(OC)C(=O)NC1CCCCNC1=O,1
CCCCCCn1cnc2c(=S)[nH]cnc21,0
CCC1C(=O)NC(=O)[C@]1(C)c1ccccc1,0
O=[N+]([O-])c1cccc(Cn2cnc3c(=S)[nH]cnc32)c1,0
N=C(NCc1ccccc1)C(=NNc1ccccc1)C(=O)NCc1ccccc1,1
CC(C)CC(=O)CC(=O)c1ccco1,0
CCS(=O)(=O)c1ccc(C(=O)NN)cc1,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)ccc1OCCN1CCCCC1,1
COc1cc(/C=N/c2cc(C(C)(C)C)nn2-c2ccccc2)cc(OC)c1OC,0
OCC1COCC(CI)O1,0
O=C(O)C(O)C(O)C(=O)O.O=C1C(Cl)=C(N2CCN(CCOCCO)CC2)C(=O)c2c(O)ccc(O)c21,1
Nc1ccc(Oc2ccc([C@]34C[C@@H]5C[C@H](C3)C[C@@](c3ccc(Oc6ccc(N)c(O)c6)cc3)(C5)C4)cc2)cc1O,1
CC(=O)O.Cc1c(CNc2ccc(Cl)c(Cl)c2Cl)cnc2nc(N)nc(N)c12,1
O=C1C[C@H](NCCCN[C@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21,1
CCOc1ccc(N=C2CC(=O)C(=O)c3ccccc32)cc1,1
Cc1csc2c1C(=O)c1ccsc1C2=O,1
COC1CC(NC(C)=O)C(OC(=O)c2ccccc2)C(CBr)O1,0
COc1cccc2c1N=C1CCCC3CN(C(C)=O)CCC123,0
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3cccc(N(C)C)c3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Cc1ccc(C(=O)OCCc2ccccc2)cc1,0
CCCCCCCCCCCCCCCCCC(=O)OCC1CCCO1,0
Cc1cc(C2C(=O)NC(=O)C2=O)c(C)cc1Br,0
Cc1cc(Cl)ccc1OC(=CC(=O)O)C(=O)O,0
CCCCCCCCCCCC(=O)OC[C@]1(C)COC(c2ccccc2)=N1,0
CCOC(=O)C1=CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1,0
CC(=S)N=CCc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-],0
Fc1cc(-c2nn3c(-c4cc(F)c(Cl)cc4Cl)nnc3s2)c(Cl)cc1Cl,0
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3cccc(Cl)c3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C(=N)O2,0
CCOC(=O)CCOc1ccccc1,0
Oc1ccc(C=NNc2nc3ccccc3s2)c(O)c1,1
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C/c1ccc([N+](=O)[O-])cc1,1
CC(=S)N=Cc1c(O)cc(C)oc1=O,0
Nc1nn(-c2cccc(C(F)(F)F)c2)c2cccc[n+]12.[Br-],0
CC1CC(NCC(O)CO)CC(C)(C)C1,0
ON=c1nc(N2CCOCC2)[nH]c(=NO)[nH]1,0
CCCCCC(O)(CCCCC)CCCCCC=CCc1c(O)c(O)c2ccc(=O)[nH]c2c1O,1
CCOC(=O)CCN(C(=S)Nc1ccccc1)C1CCCCC1,0
Fc1ccccc1C1CC(C(c2ccccc2)c2ccccc2)=Nc2ccccc2S1,1
COc1cc([C@H](C#N)NNC(=O)c2ccccc2O)ccc1O,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CC(=O)Oc1cccc(F)c1)C2,1
O=[N+]([O-])c1ccc(-c2ccc(Br)cc2)cc1,0
c1ccc2c(c1)Nc1ccncc1S2,0
O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1,0
COc1cc(C=Cc2ccc(C)cc2)cc(OC)c1OC,1
CCN(C=C(O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1)CC.Cl,1
CN(c1ccc(Cl)c(Cl)c1)c1cnc2cc(N)cc(N)c2n1,1
COC(=O)C1=C(OC)[C@H]2C#CC=CC#C[C@@H]3Nc4c(cc(O)c5c4C(=O)c4ccccc4C5=O)[C@]24O[C@@]34[C@H]1C,1
CC(NCCN(C)C)C1CCC2C3CCc4cc(O)ccc4C3CCC12C,1
Br.CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@H]1C2,1
CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1.Cl,1
CC(=O)Oc1ccc(C23c4ccccc4C2(OC(C)=O)c2cc(OC(C)=O)ccc23)cc1,1
O=[N+]([O-])c1cc(F)c2cccnc2c1O,1
O=C(O)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1,0
CN1CCN(c2ccc3c4c(cccc24)C(=O)N(CCN2CCN(CCCN4CCN(CCN5C(=O)c6cccc7c(N8CCN(C)CC8)ccc(c67)C5=O)CC4)CC2)C3=O)CC1,1
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O[C@@H]5OC[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O)[C@@H](O)[C@H]5O)CC[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1,1
CC(=O)O.CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N,1
N#Cc1c(Cl)cccc1Cl,0
CCCCCCOc1ccc(N=C2C(=O)c3cccnc3C(=O)C2Cl)cc1,1
CC(=O)NCC(N)=S,0
CC(=Nc1ccccc1)c1c(O)[nH]c(Cc2ccc(F)cc2)c1O,1
O=C(OCc1cc(=O)c(OC(=O)c2ccccc2)co1)c1ccccc1,0
c1csc(CCCN2CCCCC2)c1,0
NNc1ccc(-c2ccc(NN)cc2)cc1,0
CC1=CC(=O)C[C@H](c2ccccc2)C1,0
CC(C)(CO)CN1CCCC1,0
CNC(=O)c1ccccc1C(O)c1ccc(C)cc1,0
CN(C)Cc1c(O)ccc2ccccc12,0
Cn1c2ccccc2c2nnc(N/N=C/c3cccs3)nc21,0
Cc1cccc(OC[C@@H]2CO2)c1,0
N#C[C@@]12C(=O)NC(=O)[C@]1(C#N)C21CCCC1,0
CCC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(C(CC)=NN=C(N)N)cc2)cc1,1
COc1cc(C(=O)OC(C(=O)NCCCNC(=O)C(OC(=O)c2cc(OC)cc3c(C)cccc23)[C@]2(C)CO2)[C@]2(C)CO2)c2cccc(C)c2c1,1
Cc1ccc(NC=O)cc1NC=O,0
CN1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O,0
CC(=O)Nc1cccc(C)c1,0
Cc1ccc2c(c1)C(=C(C#N)C#N)CCN2,0
CC1(C)NC(=S)NC1=S,0
N#CCCCCN1CCCCC1,0
COc1cc([C@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(C#N)cc3)[C@H]3COC(=O)N23)cc(OC)c1O,1
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC2)cc1,0
Clc1nc(Cl)c2ncn(CCOCCn3cnc4c(Cl)nc(Cl)nc43)c2n1,1
CCCCNC(=S)NCCCC,0
COc1cc(NCCC(C)=O)c([N+](=O)[O-])cc1OC,0
CC(C)(C)[Si-]12(OC(C(F)(F)F)(C(F)(F)F)c3ccccc31)OC(C(F)(F)F)(C(F)(F)F)c1ccccc12.C[N+](C)(C)C,1
CCn1c(-c2c(Cl)cc(O)cc2Cl)cc2c(Cl)cc(O)cc21,1
Br.CNC[C@H](OC)c1ccc(O)c(O)c1,0
O=[As](O)(O)c1ccc(N2CNc3nncn3C2)cc1,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)ccc1OCCN1CCCC1,1
CN(C)CC1CCC(CN(C)C)C1=O.Cl,1
COC(=O)C1O[C@H]1c1cc([N+](=O)[O-])ccc1OC,0
CSc1nc(N)c(CNCc2ccccc2)c(=O)n1C,0
COc1ccc(OC)c(/C=C/C(=O)c2ccc(SC)cc2)c1,1
O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1O,1
CS(=O)(=O)c1ccccc1C=O,0
O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@H](Cl)c2ccccc2)cc1[C@@H](Cl)[C@@H](Cl)c1ccccc1,1
CC(C)c1cc(C(C)C)n2nc(N)nc2n1,0
S=C(NCc1ccco1)NCc1ccco1,0
CC(=NNC(=S)NCc1ccccc1)c1nc2cccnc2[nH]1,1
CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1,1
N#Cc1cnn(CCCl)c1N,0
Cc1cc(Br)c2nsnc2c1[N+](=O)[O-],1
Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,1
O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-],0
ON=C(O)c1ccc(O)cc1,0
COc1ccc(CC#N)cc1,0
C=C(CC(NC(=O)c1ccc(C(CC)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O,1
O=[N+]([O-])c1ccccc1N1CCCCC1,0
O=C(O)CNc1ccc([As](=O)(O)O)cc1,0
CC(=NNC(=S)NCc1ccccc1)c1nc2cccnc2[nH]1,1
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(=O)O.[Cl-].[H+],0
Cc1cccnc1CN[C@H]1C[C@H](NCc2ncccc2C)C[C@@H](NCc2ncccc2C)C1,1
COc1cccc(CNc2ccccc2)c1O,0
CC(C)CC(=O)c1ccco1,0
CCOC(=O)CC(SP1(=S)OCC2(CCCCC2)CO1)C(=O)OCC,0
CCC[C@H](O)[C@@]1(CC)C[C@@H](C)[C@@](O)([C@@]2(C)C[C@H](C)[C@@H](C(CC)C(=O)C(C)[C@@H](O)[C@H](C)[C@@H]3O[C@@](O)(C(CC)C(=O)O)[C@@H](C)[C@H](O)[C@@H]3CC)O2)O1,1
O=[N+]([O-])c1cc(Cl)c2[nH]c3c(Cl)cc([N+](=O)[O-])cc3c2c1,1
CC1=C[S@+](c2ccccc2)c2cccc3cc4ccccc4c1c23.[Cl-],1
CCN(CCCl)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2)c1.Cl,1
O=C1C(=O)C(S(=O)(=O)O)C(=O)c2c1c(O)c1c(O)c(S(=O)(=O)O)c(O)c(O)c1c2O.[Na+],0
Cc1c2cccc-2c(N(C)C)cc2c1[nH]c1ccccc12,1
COC(=O)COc1ccc(Cl)cc1Cl,0
CCCCCCCC1c2c(c(O)n(-c3ccc(OC)cc3)c2O)-c2[nH]c3ccccc3c2C1C,1
NS(=O)(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1,0
CCOC(=O)Oc1ccc(Cl)cc1,0
S=c1[nH]c2ccccc2n2cccc12,0
O=c1[nH][nH]c2c(N=Cc3ccccc3O)ccc(F)c12,0
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@H]1S[As](C)C,1
CCOC(=O)C(=O)Nc1ccc(Cl)cc1,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCn3ccnc3[N+](=O)[O-])c12,1
COc1cccc(C2c3cc4c(cc3OC(C)(N3CCCC3)C2C)OCO4)c1O,1
C=CCOc1ccc(C#N)cc1,0
COC(=O)[C@]1(C)CO[P@@](=O)(NCc2ccccc2)OC1,0
CC(=O)N(C)c1cc([N+](=O)[O-])ccc1OCc1ccccc1,0
Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(Cl)cc2)c(N2CCCC2)c1=O,1
Nc1ccc(C(=O)c2ccc(N)cc2)cc1,0
CC(C)(C)OC(=O)CSC#N,0
CC(=O)c1cc2c(cc1Nc1c3ccccc3nc3occ(Cl)c13)OCO2,1
NC(=S)NN=Cc1ccc(O)cc1,0
C=C1C[C@](Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O,1
CC(=O)O[C@H](c1ccccc1)C1CCOC1=O,0
CN(C)CCn1c2ccccc2c2nc3cc4ccccc4cc3nc21.Cl,1
O=c1cc(-c2cccnc2)[nH]c2cc3c(cc12)OCO3,1
Nc1nc(-c2ccccc2)c(CCCOc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1,0
CCCN(CCC)C(=O)c1ccccc1OCC,0
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1,0
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.[Na+],0
C[C@]1([N+](=O)[O-])CO[C@H](/C=C/c2ccccc2)OC1,0
S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1,1
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1.[Cl-].[H+],0
COc1ccc(-c2c(-c3ccc(O)cc3)c3ccccc3oc2=O)cc1,0
CCn1c(-c2ccc(OC)c(OC)c2)cc(-c2cccn2C)c(C#N)c1=O,0
NC(=O)N1C(=O)C=CC1=O,0
c1ccc(NN=C(c2ccccn2)c2ccccn2)nc1,1
N=c1n(Cc2ccccc2)c(N)cc(=O)n1Cc1ccccc1,1
CN(C)c1ccc(C=NNC(=O)NN=Cc2ccc(N(C)C)cc2)cc1,0
CCCCCNc1ccc(C)cc1,0
O=S(O)c1cccs1,0
CCCOP(=O)(OCCC)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,0
COC(=O)C1=C(C(=O)OC)[C@@](Cc2ccccc2)(OO)OC1=O,1
c1ccc(CN2COC3CCCCCC32)cc1,0
CC1CC(C(C)(C)C)C(=O)C(C(C)(C)C)C1,0
NC(=O)NC(=O)Cc1ccccc1,0
O=C(N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1,0
CCN(CC)CCc1ccccn1,0
C(=N/N1CCCCCC1)\c1ccc(OCc2ccccc2)cc1,0
CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]c(N)nc32)[C@H](OC(=O)CCC)[C@@H]1OC(=O)CCC,1
O=[N+]([O-])c1ccc(Cl)c2c([N+](=O)[O-])cccc12,1
COC(=O)c1c(O)ccc2c1c1c(n2Cc2cc(OC)cc(OC)c2)C(=O)c2ccccc2C1=O,1
C[N@+]1([O-])[C@@H]2CC[C@H]1C[C@@H](O)C2,0
COC(=O)C(=CC(Cl)(Cl)Cl)C(=O)OC,0
COC(=O)/C=C1\[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O,1
CC(=O)Oc1ccc(CC(=O)O)cc1,0
NNC(=S)Nc1cccc2ccccc12,0
COc1cc2c3c(n(CCCNC(C)(C)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
CC(=O)OCC1=C(COC(C)=O)C(=O)c2c(O)ccc(O)c2C1=O,1
COc1ccc(C(=O)N=C2C(=O)c3ccccc3C(=O)C2Cl)cc1,1
CCC(O)C(C)(C)C,0
O=C1O[C@@](c2ccccc2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21,0
CCC[C@@H]1CC=C(C2C(=O)CCC2=O)O1.[K+],0
Cc1cccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc32)[N+](=O)[O-])c1C,1
COc1ccc2sc(C)cc(=O)c2c1,0
O=C(NC(C[Se][Se]CC(NC(=O)c1ccccc1)C(=O)O)C(=O)O)c1ccccc1.[Na+],0
Cc1ccc(S(=O)(=O)NCCCSCCSCCCN)cc1,0
C[Sn](C)(C)SC(=S)N1CCOCC1,1
CC(=O)NCCCCCC(=O)O.[Na+],0
CC(C)CC(C)NCC(C)O,0
CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O,1
CCC(CC)C(=O)Oc1c(C(=O)N(C)C)cccc1-c1ccccc1,0
N#Cc1c(N2CCOCC2)nc2sc3cc(Cl)c(Cl)cc3n2c1=N,0
COC1=CC(=O)C(O)=C(CC2(C)C(C)CCC3(C)C2CCCC3(C)C)C1=O,1
O=[N+]([O-])c1ccc(N2CCOCC2)cc1,0
CSc1ccc(C2=NN(C(=O)c3ccc(N)cc3)[C@@H](c3ccc(F)cc3)C2)cc1,1
CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccc(-c3ccccc3)nc12.Cl,1
O=c1[nH]c(O)c([N+](=O)[O-])c(=O)[nH]1,0
COc1ccc([C@@H]2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC,1
CC(C)OC(=O)Nc1cccc(Cl)c1Cl,0
Cc1cccc([S@@+]([O-])C(c2ccccc2)c2ccccc2)c1,0
COc1ccc(Oc2cccc(/C=C3/C(=O)Nc4ccccc43)c2)cc1,1
CCc1cc2c(cc1C(C)=O)C(C)(C)C(C)C2(C)C,0
Cc1ccc(C=NNC(=O)Nc2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2ccccc2)cc1,0
Cc1ncc(O)c(CO)c1O.Cl,0
COc1ccc(CC2=NC(=O)NC2=O)cc1O,0
CC(=O)C1C(=O)O[C@H]2C(C1=O)[C@@H]1C=C[C@H]2C1,0
O=c1[nH]c2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1cccc(Cl)c1,0
Oc1c(C=CCCCCCCC2CCCCC2)c(O)c2ccccc2c1O,1
c1coc(C2OCCO2)c1,0
CCOc1ccc(/C=C(\C#N)C(N)=O)cc1,0
CCCCCCCCCCCCCCCCCC1=NCCCN1CCO,0
COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1O,0
CCc1cccc(C(C)C)c1N=C1C(=O)c2ccccc2C(=O)C1[n+]1ccc(C)cc1.[O-][Cl+3]([O-])([O-])[O-],1
OCC1(CO)COC(c2ccccc2)=N1,0
Oc1c(CN2CCOCC2)cc(CN2CCOCC2)cc1CN1CCOCC1,0
CC(=O)C(=Cc1ccc(Cl)cc1)c1ccccc1,1
C[N+](C)([O-])CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
CC(C)CCCCc1c[nH]c(=O)[nH]c1=O,0
Cc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[n+]([O-])c2ccccc2[n+]1[O-],1
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CCOC(=O)C(C)C(O)c1ccccc1,0
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CC(C)C1CCC(OC(=O)c2ccccc2Cl)CC1,0
CCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCCCCCCCCCC,1
Cn1c(O)c(C2CCCCC2)c(=O)n(C)c1=O,0
NC(=NO)c1cn(C2OC(CO)C(O)C2O)c2[nH]cnc(=NO)c12,1
CC(=O)N=C1C(=O)c2ccccc2C(=O)C1Sc1ccc(Cl)cc1,1
CCOC(=O)C(C#N)(CC)C(C)CC,0
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Cc1ccc(C)n1CCO,0
CC(=O)CCN1CCOCC1,0
COc1cc(C(=O)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,0
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CC(=O)NC1(C(=O)O)CCCC1,0
Cc1ccc(O)c(C(=O)c2ccccc2Cl)c1,0
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2)c1cccs1,0
S=C(Nc1ccccc1)N1CCN(c2ccccc2)CC1,0
COC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1,1
Cc1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1,0
CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,1
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C#C[C@@]1(O)[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC[C@@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)OCCCCCCCCCCCCCCCCCC)O[C@@H](n2ccc(N)nc2=O)[C@H]1O,1
Nc1nc(=O)c(Br)c(O)[nH]1,0
CC(C)c1ccc(=O)c(O)c(O)c1.CC(C)c1ccc(O)c(=O)cc1.CC(C)c1cccc(=O)c(O)c1.CC(C)c1ccccc(=O)c1O,1
COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)n(C)c1)N=CC1CCCN1C2=O,1
S=c1[nH]c2cnc(Cl)nc2[nH]1,0
COc1ccc(NC(=O)N(O)C2(C#N)CCCCC2)cc1,0
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,0
CCN(CC)CCC[C@H](C)Nc1c(Sc2cnc3cc(Cl)ccc3c2N[C@@H](C)CCCN(CC)CC)cnc2cc(Cl)ccc12.Cl,1
COc1ccc2c(c1)C1OCCNC1CC2.Cl,0
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COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
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CC(=NNC(=S)N1CCCCCC1)c1ccccn1,1
CC[C@]1(O)C[C@@H](O[C@@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](O[C@@H]4CCC(=O)C(C)O4)[C@@H](C)O3)[C@@H](C)O2)C2=C(C(=O)c3c(c(O)c4c(O)cccc4c3O)C2=O)C1C(=O)OC,1
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CC(=Nc1ccccc1[N+](=O)[O-])c1c(O)cc(C)oc1=O,0
CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1,1
COc1cc2c3c(n(CCCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
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Nc1c2ccccc2nc2ccc3c(=O)cc(-c4ccccc4)oc3c12,1
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CC1=C[P@@](=O)(Oc2ccc([N+](=O)[O-])cc2)CC1,0
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Cc1cc[n+](C(C)(C)C)o1.[O-][Cl+3]([O-])([O-])[O-],0
CCOC(=O)N1CCN(CCCCCOc2ccccc2C2CCCCC2)CC1.Cl,1
Cc1csc(C#Cc2cncc(O)c2)n1,0
CN(C)C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1,1
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Cl.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCn1ccnc1,1
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CN(C)c1ccc(/C=N/NC(=O)Nc2cccc3ccccc23)cc1,1
CCN(CC)c1ccc(/C=C2\C=Cc3ccccc32)cc1,0
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[Cu+2].[S]C(=S)N1CCCCC1.[S]C(=S)N1CCCCC1,1
Nc1c(C(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cnn1-c1ccnc2c(C(F)(F)F)cccc12,1
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CO)N1[C@@H]3[C@H]4[C@H](C[C@@H]([C@@H]1C#N)N4C)[C@H]1OCCN1[C@H]23,1
CC=CC1OCC(CC)(CCCC)CO1,0
C[C@H]1O[C@@H](O[C@@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,1
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CCOC(=O)c1c2ncccc2n2c(=O)n(Cc3ccccc3)nnc12,0
NCCCCCNc1cc(O)cc2cccnc12,0
Fc1ccc(C(F)(F)F)cc1,0
CN(C)C(=S)N=Nc1c(O)[nH]c2ccccc12,1
C#CC(C)(O)c1ccccc1,0
COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccc(N(C)C)cc3)C2)cc1,1
CN(Cc1ccc(Cl)cc1Cl)CC(O)C(O)C(O)C(O)CO,0
Nc1ccc(-c2nc(N)c3[nH]cnc3n2)cc1,0
COC(=O)CCC(=O)c1ccccc1,0
CCNS(=O)(=O)c1ncnc2[nH]cnc12,0
CN(C)CC/N=C/c1c2ccccc2c(=O)n2c1oc1ccccc12,1
COc1cc(I)ccc1[As](=O)(O)O,0
CCCC(=O)OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O,1
c1ccc2nc(N/N=C3\CCCC[C@H]3C3CCCCC3)ccc2c1,1
CCOc1ccc([P@]2(=S)S[P@@](=S)(c3ccc(OCC)cc3)S2)cc1,0
[O-][S+]1c2ccccc2Sc2ccccc21,0
CCOC(=O)c1c(C)csc1NC(=O)CSCC(=O)OC,0
CN(C)CCNC(=O)c1cccc2ccc(-c3cccnc3)nc12.Cl,1
C=CCn1c2c(c3ccccc31)CCC2,0
C(=NOCCc1ccccc1)c1ccccn1,0
CCOC(=O)N1CCN(c2ccc(C)cc2)CC1,0
OCCCN1CNC(=S)NC1,0
O=[As](O)(O)c1ccccc1-c1ccccc1,0
CCCCC1(CC)COC(CCC)OC1,0
Cc1cc(C(C#N)c2nc3ccccc3s2)nc(Cl)n1,1
CC(=O)c1ccc2c3ccccc3n(C(C)=O)c2c1,0
Cn1cc([C@@H]2NC(=O)c3ccccc3N2)c2ccccc21,1
COc1cc(/C=N/NC(=O)c2ccc(Br)o2)cc(OC)c1OC,0
O=C(c1ccccc1)c1nc2ccc(Cl)cc2cc1C(Br)Br,1
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21,0
CC[C@H](c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)F,0
C#CCOCC1CN(c2ccccc2)C(=O)O1,0
O=C1O[C@H]2[C@H](O)CO[C@@]2(O)[C@@]1(O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1,1
O=c1c(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1=O,1
CC1=NS(=O)(=O)NC(C)(C)C1,0
Cc1ccc(C(C)(C)C[P+](C)(c2ccccc2)c2ccccc2)cc1.[I-],1
O=C(S)CN1C(=O)c2ccccc2C1=O,0
Cn1c(O)cc(-c2ccccc2)c1O,0
CCN(CC)CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12,1
COc1ccc(O[C@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@H](O)[C@H](O)[C@@H]2O)cc1,1
Cc1cc(C)cc(Nc2nnc3n2S(=O)(=O)c2cc(C)c(Cl)cc2S3)c1,1
CN(C)/C(=C\C(=O)c1ccccc1)C(=O)c1ccccc1,0
COC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1,1
C=CCOc1ccc(/C=C/C(=O)c2c(O)c(OC)c(OC)c(OC)c2OC)cc1,0
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccc3c(c2)OCCO3)cc1,0
COc1cc2c(cc1OCCCN1CCN(CCCn3c4ccccc4c4ccccc43)CC1)N=CC1CCCN1C2=O,1
CCC(C=NO)CC,0
CCOC(=O)C(=Cc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)OCC,1
CC(=O)CN(C(C)=O)c1ccccc1,0
CCC(=O)c1ccc(OC)c(OC)c1OCc1ccccc1,0
O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-],1
COc1ccc(N=Nc2c(N)nn3c(SC)c(C#N)c(N)nc23)cc1,1
O=C(Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1)c1ccccc1[N+](=O)[O-],1
N#CC(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,0
CN(C)c1ccc2nc3ccc(N(C)C)c([N+](=O)[O-])c3[s+]c2c1.Cl,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](O)CC2,1
COc1ccccc1NC(=O)N1CCN(C(=O)Nc2ccccc2OC)CC1,0
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(F)c(Cl)c1,0
COc1ccccc1C=NNc1nc(=O)cc(C)[nH]1,0
CC(=NNC(=S)NC(C)(C)C)c1nc2cccnc2[nH]1,1
COc1ccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc1,1
ON=C1[C@H]2CC=C(c3ccccc3)[C@@H]1CCC2,0
O=C(O)c1nc(=O)[nH]c(=O)[nH]1.[Na+],0
Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,0
CC1(c2ccccc2)OC1C(=O)O,0
Cc1cccc(C=NNC(=S)N2CCCCC2)n1,1
Cl.Cn1c(=N)n[n+]([O-])c2ccccc21,1
Cn1cc([N+](=O)[O-])cc1C(=O)C(Cl)(Cl)Cl,0
Cl.N=C(N)N/N=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cl)cn12,1
CCOP(=O)(OCC)C(=Cn1c(=O)cc(O)[nH]c1=S)C(=O)OC,0
CC(=O)N1CCc2cc([N+](=O)[O-])ccc21,0
Cc1cc(C)c(C(=O)CC(C)C)c(C)c1,0
COc1cc(-c2nc3ccccc3s2)ccc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2,1
CC(=O)OCCOC(=O)Nc1ccccc1,0
N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1,0
COC1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)COC21.[Na+].[Na+],0
CC(C)CC(=O)Nc1ccc2ccccc2c1,0
COc1ccc(C=C(C(=O)O)c2ccc(OC)cc2)cc1,0
CO[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@@H](C)O1,0
COc1ccc(Cl)cc1[N+](=O)[O-],0
O=C(O)CNCP(=O)(O)O,0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,1
Cc1ccc(C(=O)O)c(NC=O)c1OCc1ccccc1,0
O=C1C(Cl)=C(Oc2ccccc2)C(=O)c2ccccc21,1
Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc(O)cc1)SC(=N)N2,1
C[C@H]1CC[C@@]2(C)[C@@H](CC=C(C=O)[C@@]2(O)C=O)[C@@]12CO2,1
CC(CO)(CO)NCCCCn1ccc2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O,1
COCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O,1
CN(C)c1ccc(/N=C2\C=CC(=C(C#N)C#N)c3ccccc32)cc1,1
C[C@@H](CCc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc12,0
CC(C)(C)C#CI1OC(=O)c2ccccc21,1
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(=S)[nH]cnc21,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)ccc1OCCN1CCCCC1,1
C[C@@H]1CCC(=NO)C(=NO)C1,0
COP(OC)c1ccc(C)cc1,0
CC[C@H](C)C(NC(=O)C(Cc1ccc(O)cc1)NCC(F)(F)F)C(=O)OC(C)(C)C,1
O=C(NCCCCNCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1,0
O=[N+]([O-])c1cccc2c([As](=O)(O)O)cccc12,0
Cc1cccc([C@](O)(C(=O)O)c2ccccc2)c1,0
Cc1ccc(S(=O)(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cc1,0
O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc2ccccc2c1,1
O=c1[nH]c2cc([N+](=O)[O-])c(Nc3c4ccccc4nc4ccccc34)c([N+](=O)[O-])c2[nH]1,1
O=S(=O)(O)c1ccc(O)c2ccccc12,0
C=CCN(C(C)=O)c1cc(OCc2ccccc2)c2c(c1)c(C)cn2S(=O)(=O)c1ccccc1,1
O=C(c1ccccc1)c1ccc(F)cc1,0
C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C)C(C)C,1
O=C(O)C(O)C(O)C1O[Sb](O)(O)(c2ccc([N+](=O)[O-])cc2)OC1CO,0
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2S(=O)(=O)Nc1ccccc1,0
CNC(=O)/C=C/C1=CN2C(=O)c3ccc(C)c(O)c3N[C@H](OC)[C@@H]2C1,1
CC1=CC(=O)C[C@H](C(C)C)C1,0
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12,1
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O,1
CC1C(=O)O[C@@H]2CCN3C[C@H]4O[C@@]4(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23,0
CCC(CC)COC(=O)c1ccccc1Cl,0
CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12,1
N#CC(C#N)N=Nc1ccc(Br)cc1,1
N#Cc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1,0
COC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)[nH]c1N/N=C/c1c(Cl)cccc1Cl,1
COc1ccc2c(c1)c(-c1cc(-c3cn(C)c4ccc(OC)cc34)on1)cn2C,0
C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2,1
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O=C(O)COC(C[N+](=O)[O-])C(Cl)(Cl)Cl,0
C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@@H]8O)[C@@H]7O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C,1
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCCBr)OCO2,1
c1ccc(CC(=NNc2nc3ccccc3o2)c2ccccn2)cc1,1
CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],1
O=C1N=c2ccc(Br)cc2=C1CC(=O)c1ccccc1,1
COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1,1
CC(=O)O.CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CC)CC)cc1C2=O,1
O=C(O)CCC(=O)OCCN(Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)C(Cl)Cl,0
N=C(N)N=Nc1c(O)[nH]c2ccccc12.O=S(=O)(O)O,0
Cc1cccc(C(=O)c2ccccc2Cl)c1O,0
Cc1c(C(=O)c2ccccc2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
COc1cc(C2c3cc4c(cc3C(Oc3ccc(F)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Nc1nc(=O)n(C2OC(CO)C(O)C2O)cc1F,1
O=[N+]([O-])c1ccc(-c2cccnc2)cc1,0
CC(=NNC(=S)N1CCCCC1)C(C)=NNC(=S)N1CCCCC1,1
Cc1cc(=O)n2[nH]cnc2n1,0
CCCC(CCC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1,0
C=CCNC(=S)NCCO,0
CCCCCCCC/C=C/CCCCCCC/C=C1\C[C@](/C=C/C(=O)OC)(CO)OC1=O,1
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O,1
CC(=NNc1nc2ccccc2s1)c1cc(C)ncn1,1
CCOC(=O)N=C1NCC(C)(C)S1,0
O=[N+]([O-])C=Cc1ccc(Cl)cc1[N+](=O)[O-],1
CCOC(=N)Cc1ccccc1,0
CCOC(=O)C1OC1(C)c1ccc(Cl)cc1,0
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)ccc2c(S(=O)(=O)O)cccc12,0
Ic1ncnc2[nH]cnc12,0
CC(=NNC(=S)Nc1ccccc1C)c1ccccn1,1
COc1cc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC(=O)CCNc3nnc(C)s3)c(OC)c2)C(=O)CCNc2nnc(C)s2)ccc1OC(=O)CCNc1nnc(C)s1,1
O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
Cc1ccc(S(=O)(=O)c2[nH]cc(/C(=C\C3CCCCC3)[N+](=O)[O-])c2C2CCCCC2)cc1,1
CCOC(=O)C1=C(C)C(=Cc2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C.Cl,1
O[C@H]1CC[C@H]([C@H]2[C@@H]3CCCC[C@H]3[C@@H]3CCCC[C@H]3[C@@H]2[C@H]2CC[C@H](O)CC2)CC1,1
Cc1cccc(Nc2c(O)[nH]cnc2=O)c1,0
CCN(CC)C[C@H](O)CN1CCNCC1,0
CC1(C)COB(OCC(C)(C)COB2OCC(C)(C)CO2)OC1,0
O=C(O)C(F)(F)F.c1ccc2cc(CNCCCCNCCCNCc3ccc4ccccc4c3)ccc2c1,1
O=C(c1ccccc1)C(C(c1ccccc1)N1CCOCC1)N1CCCCC1,0
COc1nc2ccccc2nc1N1CC1,0
CC(C)C[C@H](NC(=O)C(CCc1ccccc1)NC(=O)c1ccc2ccccc2n1)B(O)O,1
COc1cc(C=C[N+](=O)[O-])cc(Br)c1OC,1
CCCCCCCCN(CC)CC,0
CCC(C)Nc1ccc(N)cc1,1
O=C(O)CSC(=S)SCC(=O)O,0
CC[C@@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O,0
NC(=O)OCc1ccccc1,0
Cc1ccnc2[nH]c(-c3ccccc3)cc(=O)c12,1
CC(C)OC(=O)NNC(=O)c1ccncc1,0
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N,0
Cl.O=C1C(=Cc2ccccc2)CNCC1=Cc1ccccc1,1
Cc1cnc2[nH]c(-c3cccc(Cl)c3)cc(=O)c2c1,1
CCCNc1ncnc2c1cnn2[C@@H]1CCCCO1,0
COc1cccc2c1CCc1cc3c(N)nc(N)nc3nc1-2,1
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C(COC(C)=O)OC(C)=O,0
Cn1c(=O)c2[nH]c([C@@H](O)c3ccc(Cl)cc3)nc2n(C)c1=O,0
CN1C(=O)[C@](C)(C2=CCCCC2)C(=O)NC1=S,0
c1ccc2[nH]nnc2c1,0
CC(=O)O.Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1,1
CN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12,0
CCCCCOC(=O)N1CCCC1,0
CC=C(C(=O)OCCCCCCCC)C(=O)OCCCCCCCC,0
CC12CCC(C)(O1)c1c2c(O)n(-c2nccs2)c1O,0
C=C(c1ccc2[nH]c(NC(=O)OC)nc2c1)c1cccs1,1
O=C1NCCN1/N=C/c1c(Cl)nc2sccn12,0
CCCNC(=O)OCc1c(COC(=O)NCCC)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2,1
O=C(c1ccc(Cl)cc1Cl)C(Cl)Cl,0
CCCCCCCCSCCO,0
C=CCOB(OCC=C)OCC=C,0
O=C(O)C(c1ccccc1)N1CCOCC1,0
CCOC(=O)c1c(N2CCCC2)[nH]c(=O)c(C=Nc2cc(Cl)cc(Cl)c2)c1O,0
CC(=O)OCC1=CC(=O)C(=C(C)C)CC/C(C)=C/CC[C@]2(C)O[C@H]2CC1,0
Nc1nc(N)c2c(n1)N[C@H](c1ccc3c(c1)OCO3)CC(c1ccc([N+](=O)[O-])cc1)=N2,0
COc1ccc(C(=O)C=Cc2cc(O)c(O)cc2F)c(OC)c1,1
Cc1cc2ccccc2nc1-c1ccccc1F,0
CCOCC[C@H](CC)CC(C)C,0
COc1ccc(C(=O)C2=CC(=O)C(=O)C2)cc1OC,0
CC1(C)Cc2nc3c(cc2C(=O)C1C=NC(C#N)C(=N)C#N)C(=O)C(C=NC(C#N)C(=N)C#N)C(C)(C)C3,1
N#CC1(Nc2cccc(Cl)c2)CCCC1,0
CN(C)CCNC(=O)c1cccc2nc3c(Cl)cccc3nc12.Cl,1
CC1(C)CCC(C)(C)NC(=S)N1,0
COc1cc2c3c(n(CCCN4CCC(N)CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
CCc1c(N)nc(N)nc1Nc1ccccc1C,0
Nc1ccc2c(c1)N=[N+]([O-])c1cc(N)ccc1C2,0
O=C1CCCc2cc3c(cc21)CCCC3,0
C=CCOc1nc(N)nc(N)n1,0
CN1[C@@H]2c3ccccc3[C@H]3[C@H]4[C@@H]2c2ccccc2[C@@H](C([N+](=O)[O-])[C@H]31)N4C,0
Cc1nnc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)n12,0
CC(C)C1(O)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,1
NCC(Cc1ccccc1)c1ccccc1,0
CC1(C)CC(=O)C(C=NC(N)=S)C(=O)C1,0
CCCCCCOCCCN1C(=O)c2ccccc2C1=O,0
Cl.N=C(N)N/N=C(\c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1,1
CC(C)CNCCOC(=O)c1ccc([N+](=O)[O-])cc1,0
COc1cc(C(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC,1
Clc1ccc(CN2CCCc3ccccc32)cc1,0
Br[Pb](c1ccccc1)(c1ccccc1)c1ccccc1,1
Cc1nc2c(o1)C(=O)c1ccccc1/C2=N/c1ccccc1,1
ON=C1CCCCC1,0
N#CC(=Cc1ccc(N(CCBr)CCBr)cc1)C(N)=O,1
CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(Br)cc3)nc12.Cl,1
CCOC(=O)C1(C(=O)OCC)NC(=O)C[C@@H]1C(C)C,0
O=[N+]([O-])c1ccccc1CCc1ccccc1[N+](=O)[O-],0
COCn1c(=O)n(C)c(=O)c2c1nc1c(c(=O)n(C)c(=O)n1COC)[n+]2[O-],1
C=CCC(C(=O)NCCN(CC)CC)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O,0
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cn1,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCCCC(=O)O)c2c1,1
CNC(=O)N(C1=NCC(C)S1)c1ccc(C)c(C)c1,1
CC1(C)CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=NN1.[Br-],1
CC(C)c1cccc(Br)c1,0
CNc1ncnc(Sc2nc(N)nc3[nH]cnc23)c1[N+](=O)[O-],1
CC(=O)N=C1C(=O)c2ccccc2C(=O)C1NCc1ccc(Cl)cc1,1
c1ccc2c(c1)ccc1c3ccccc3c(NCCCCN3CCCCC3)cc21,1
CCCCCCCCCCSC(=N)N,1
O=S(=O)(C/C=C/CS(=O)(=O)c1ccccc1)c1ccccc1,0
CC1=CC2[C@@H]([C@@H]3C=C[C@@]2(C)C(=O)[C@]3(C)O)[C@@](C)(O)C1=O,0
ClCCNCc1ccccc1,0
COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O.CS(=O)(=O)O,1
CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
COC(Cc1ccccc1)OC,0
O=C1NC(=S)N=C1Cc1ccc2c(c1)CCC2,0
CC(=O)Nc1c(Cl)cccc1[N+](=O)[O-],0
Cc1ccc(C)o1,0
CNCCNc1c2c(c(NCCNC)c3[nH]ccc13)C(=O)c1ccccc1C2=O,1
CC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)CN(C)C,1
NC(=O)N1c2ccccc2CC(=O)c2ccccc21,0
COc1ccc(OC)c(/C=C/[N+](=O)[O-])c1,1
Cc1c[nH]c(SCc2ccc(Cl)cc2Cl)nc1=O,0
Cc1cc(C)c(N)c(C(=O)O)c1,0
CCOC(=O)c1ccc(N(CCC(=O)O)C(C)=O)cc1,0
Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)c3nc(-c4ccccc4)c(=O)oc3c1C)N2,1
COc1cc([N+](=O)[O-])ccc1N,0
c1ccc(CNc2ccccn2)cc1,0
CC(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1,0
C[C@@H]1CC(=NC2CCCCC2)Nc2ccccc2N1Cc1ccccc1,1
O=c1oc(-c2ccccc2)nc2ccccc12,0
COc1ccc(CNC2CCCCC2)cc1,0
COc1cc(C2c3cc4c(cc3C(Nc3cccc(C(C)=O)c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
c1ccc(OCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2N)cc1,0
COCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O,1
Cc1ccc(O[P@@]2(=O)Nc3cc(C)c(C)cc3S2)cc1,0
O=C1N=C(Cc2nc3ccccc3s2)c2ccccc21,0
S=C(NN=C(c1ccccc1)c1ccccn1)N1CCCCC1,1
Nc1ccccc1Sc1cc(Cl)nnc1Cl,0
O=c1[nH]c2cc(Cl)ccc2o1,0
Cc1cc(OCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-],1
Nc1nc(Cl)c2ncn([C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1,0
Cn1cc2c(c1-c1ccccc1)CCc1c[nH]c(=O)nc1-2,0
O=P([O-])([O-])F.[Na+].[Na+],0
N#CCN1CCOCC1,0
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)c3ccccc3)C3CCCCC3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(NCCCN(CC)CC)c12,1
COC(=O)C=C1C(=O)CCC1c1ccc([N+](=O)[O-])cc1,0
CCOC(=O)C(CC)(C(=O)OCC)C(C)CC,0
CCN(CC)CCNc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-],1
CCN(CC)c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O,1
CCSC1=CC(=O)c2nc3ccccc3c3ccnc1c23,1
COc1cccc(C=NNC(=S)NC2CC3CCC2C3)c1O,1
Nc1nc(N)c2[nH]c(=S)[nH]c2n1,0
Cl.NC(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1,0
Nc1csc(N)n1,0
CNC(=O)OCc1nc(SSC(C)(C)C)n(C)c1COC(=O)NC,1
Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1C,0
Clc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1,0
COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2c2ccccc2)OCO4)c1O,1
O=C(O)CSC(=S)N1CCOCC1,0
[O-][S+](Cc1ccccc1)c1ccccc1,0
ONC(CC(O)(NO)NO)c1ccccc1,0
CN(C)CCOc1ccc(-c2c(Oc3ccc(Cl)cc3)c(=O)oc3ccccc23)cc1,1
Cn1c2c(Cl)c(Cl)ccc2c2ccn3c(=O)c4ccccc4nc3c21,0
CC(=O)Nc1ccc(O)c(O)c1.CC(=O)O,0
N#CC(C#N)=C/C=C/c1c(Cl)cccc1Cl,1
Nc1nc(=O)c2nnn(C3CC(O)C(CO)O3)c2[nH]1,1
Cc1[nH]c(=S)[nH]c(=O)c1C,0
CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0
CN(C)c1ccc([Sn](c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,1
CC(=O)Oc1cccc(C2OCC(C)O2)c1,0
COC(=O)[C@@]12OC[C@]34[C@@H]([C@@H](O)[C@H]1O)[C@@]1(C)CC(=O)C(=O)C(C)C1C[C@H]3OC(=O)C(OC(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@@H]24,1
CC1=NC(=O)N[C@H](c2cccc(Cl)c2)C1C(=O)Nc1ccc(Cl)c(Cl)c1,1
COc1ccccc1Br,0
O=C(/C=C/c1ccco1)c1ccc([N+](=O)[O-])cc1,0
C/C(CC(C)(C)N1CC1)=N\NC(=O)Nc1cccc2ccccc12,1
c1ccc(/N=C(\N2CCCCC2)N(CCN2CCCCC2)c2ccccc2)cc1,1
O=C(CCc1ccc(O)c(O)c1)NCCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1,1
CCOCC1(CCc2ccccc2)C(=O)NC(=S)NC1=O,0
O=C(Nc1cccc2ccccc12)ON=C1CCCCC1,0
CCC(C#N)(CC)c1ccccc1,0
Nc1nc(Cl)c2ncn(Cc3cccc(CCl)c3)c2n1,1
CCN(C(=O)C(c1ccccc1)C(C(=O)N(CC)c1ccccc1)c1ccccc1)c1ccccc1,0
NS(=O)(=O)c1ccc(NC(=O)c2ccc(N=C3C(=O)N(Cc4ccccc4)C(=O)C3Cl)cc2)cc1,1
COc1ccc2[nH]cc(C=C(C)c3ccncc3)c2c1,1
COc1ccc(C(=O)C#Cc2cnc(OC)nc2OC)cc1,1
O=[N+]([O-])c1cc([N+](=O)[O-])c(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1Cl,1
O=C(O)c1cc(O)c(O)c(O)c1,0
COC(=O)c1ccc(C=O)cc1,0
CCC(C)(O)Cc1ccc(Cl)cc1,0
CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,1
Cc1ccc(C=[N+]([O-])c2ccccc2)cc1,0
N#Cc1c(NC(=O)c2ccco2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],0
O=C(C[N+](=O)[O-])c1ccc(Cl)cc1,0
CCC[Sn](Cl)(Cl)CCC.Oc1ccccc1C=NCCN=Cc1ccccc1O,1
N#CN=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,1
N=Nc1c(OC(=O)Nc2cccc(Cl)c2)[nH]c2ccccc12,1
Cl.Clc1ccc2c(c1)=[SH]SN=2,1
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,0
CC(NNC(=S)N1CCCCCC1)c1cccnn1,1
C[C@H]1CC[C@H]2NCCN[C@H]2C1,0
O=S(=O)(O)c1cccc2cc(Nc3ccccc3)cc(Nc3ccccc3)c12,0
O=S(=O)(O)c1ccc(O)c2cc(Nc3ccccc3)ccc12,0
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OCOC2,0
CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4C(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(C)=O)C[C@H](CCNC(C)=O)OC(C)=O)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1.Cl,1
O=C(O)C1CC2C3CC(C(=O)O)C(C3)C2C1,0
COc1ccccc1C(=O)c1ccccc1,0
COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@H]1C[C@@H](N2CCOC[C@H]2C#N)[C@@H](O)[C@@H](C)O1)C3=O,1
C[C@@H]1Cc2c([nH]c(=O)n(-c3ccccc3)c2=O)O1,0
O=C(O)c1ccc(C(F)(F)F)cc1,0
CC(C)(N)[C@H]1CC[C@](C)(N)CC1,0
CC1CCC(=NO)C(=NO)C1,0
CC(=Nn1cc(O)[nH]c1=O)c1ccc([N+](=O)[O-])o1,0
Cc1ccc(C#N)cn1,0
O=[N+]([O-])c1ccc2c(c1)c(N=NC(=S)Nc1ccc(Cl)cc1)c(O)n2CN1CCOCC1,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(OC(C)=O)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
C[C@@]12C(=O)N(c3nccs3)C(=O)[C@]1(C)[C@H]1CC[C@@H]2O1,0
CCCCOc1ccc(NC(=O)n2nc(N)c3cc(Cl)ccc32)cc1,0
O=C1OCC2C1Cc1cc(O)c(O)cc1C2c1ccc(O)c(O)c1,0
S=C(NCCc1ccccn1)NN=C(c1ccccc1)c1ccccn1,1
O=[S@](OCCN1CCOCC1)C(c1ccccc1)c1ccccc1,0
NC(=O)c1nnsc1-c1ccco1,0
COc1ccc(N=c2nc3sc4cc(Cl)ccc4n3c(N)c2C#N)cc1,1
OC[C@H](O)[C@H](O)c1oc(O)c(O)c1O,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[Na+],1
Nc1nc(SCc2ccccc2)cc(SCc2ccccc2)n1,0
COc1ccc(C(=S)N2CCOCC2)cc1,0
C[C@@H]1CC(C#N)C(=O)O1,0
C[C@@H]1CC[C@H]2C(COCCOCC3=C(C(F)(F)F)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4,1
COc1cc(OC)cc(-c2nc3sccn3c2/C=N/N=C(N)N)c1.Cl,1
Cn1c(=O)c2[nH]c(SCc3cccnc3)nc2n(C)c1=S,0
Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,1
COC(=O)C1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O,1
CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl,0
Cc1cccc(NC(=O)c2ccccc2C)c1,0
COCC(C)OC(=O)COc1ccccc1,0
NCCc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1,1
NNC(=O)c1cccc([N+](=O)[O-])c1,0
OCCSSCCO,0
COc1cc(C#N)cc(OC)c1OCCN(CCOc1c(OC)cc(C#N)cc1OC)S(=O)(=O)c1ccc(C)cc1,0
CC(C)C(=O)Nc1cccnc1,0
O=C(COc1cccc(/C=C2\Cc3ccccc3C2=O)c1)Nc1nc2ccccc2s1,0
Oc1cc2ccccc2c(-c2c(O)c(O)cc3ccccc23)c1O,1
O=C(O)Cc1cccc(=O)c(O)c1C(=O)O,0
O=C(O)c1ccc(SSc2ccc(C(=O)O)cc2)cc1,0
COc1ccc2oc(-c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1,1
Nc1nc(=O)c(N=Nc2ccc(S(N)(=O)=O)cc2)c(N)[nH]1,0
O=[N+]([O-])c1ccc2sc3ccccc3c2c1,0
COc1cc(C2CC(C)(N3CCOCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
N#CC(C(CCCO)=NC(Cc1c[nH]c2ccccc12)C(=O)O)c1nc(=O)c2ccccc2[nH]1,0
CCOC(=O)Sc1nc2cncnc2[nH]1,0
O=C(O)CCCC(=O)c1cccs1,0
O=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1,0
CCCCCCCCCc1ccc(OC(=O)CCl)cc1,0
CCCCCN(CCCCC)CC(O)c1ccc(Cl)c2ccccc12,1
N#CCC1=CCCCC1,0
CCCC[Sn+2]CCCC.CSc1ncccc1C(=O)[O-].CSc1ncccc1C(=O)[O-],1
COc1cc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)cc(OC)c1OC,1
O=C(O)CCC(=O)c1ccc([N+](=O)[O-])cc1,0
CCOC(=O)/C=C(/OC(=O)c1ccc(OC)cc1)c1ccccc1,0
CCN(CC)c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O,1
COc1ccc(C(=O)c2ccccc2C(=O)O)cc1Br,0
COCCCNc1c2ccccc2nc2ccccc12,1
CNc1nc(NC)nc(NNC(=O)c2ccccc2)n1,0
Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cn1,1
Cc1ncc([N+](=O)[O-])n1CCO,0
COc1ccc(C[C@@H]2OC3(C=CC(=O)C[C@@H]3Sc3ccccc3)O[C@H]2Cc2ccc(OC)cc2)cc1,1
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1,0
Br.O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1,1
CC(=O)OCC(OC(C)=O)C1OC(c2ccccc2)OC(C(COC(C)=O)OC(C)=O)C1OC(C)=O,0
CC(=O)c1cc(Cl)ccc1Cl,0
CCOc1cc2c(cc1O)C(=NN)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CCCCN(CCCC)c1cc(C(=O)CCCCCN)c2ccccc2n1,1
CCN1CCC[C@@H](NCc2c3ccccc3c(CN[C@@H]3CCCN(CC)C3)c3ccccc23)C1,1
ClCc1ccc(-c2ccc(Cn3cnc4nc(Cl)nc(Cl)c43)cc2)cc1,1
C(C#CCN1CCOCC1)#CCN1CCOCC1,0
CC(=O)C1CC2c3ccccc3C1c1ccccc12,0
N#Cc1nc2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1,1
CC(=NNC(=S)N1CCCCCC1)c1cccc[n+]1[O-],1
O=C(O)CCC1CCCCC1,0
CCOC(=O)[C@@]1(C#N)C[C@H]2CC[C@@H]1C2,0
O=C(O)/C=C/C(=O)Nc1cccc2c1-c1ccccc1C2=O,1
Nc1c(Br)cc(Br)c2c1[nH]c(=O)c1ccccc12,1
CCNC(=O)C(C)O,0
CNC(=O)Oc1ccc2ccccc2c1,0
Fc1ccccc1Nc1n[nH]c(=S)s1,0
Cc1ccc(C(=NN=C(N)N)c2ccccc2)cc1,1
OC(CN1CCOCC1)CN1CCOCC1,0
C[C@]12C=CC(=O)C=C1C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0
CCS(=O)(=O)O.Cc1cc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F,1
CC(C)(C)CC(C)(C)NCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CNC(C)(C)CC(C)(C)C)cc2)cc1,1
O=S(=O)(CCN1CCCCC1)CCS(=O)(=O)CCN1CCCCC1,0
O=C(OC1COC(c2ccccc2)OC1C1OC(c2ccccc2)OCC1OC(=O)c1ccccc1)c1ccccc1,0
CCCCCCCCCCCCCCCCN=C1C(=O)c2ccccc2C(=O)C1Cl,0
O=C1Nc2ccccc2C1=Cc1c(Cl)[nH]c2ccccc12,1
C1=CC(N2CCOCC2)CCC1,0
O=C1C[C@@H](Sc2ccccc2)C2(OCCO2)[C@H]2ON3CCCC[C@H]3C12,1
N=C(N)N/N=C/c1ccc(Br)cc1,1
CCOC(=O)Oc1ccc(Cl)cc1Cl,0
COc1ccccc1N=C(N)Nc1ccccc1OC,0
Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1,0
CC(=O)OC[C@@H]1C[C@@H](COC(C)=O)[C@@H](COC(C)=O)C[C@@H]1COC(C)=O,0
CCCCCCCCCCCCCCCC1=NCCN1,1
O=C(C(=Cc1ccccc1)CN1CCCCC1)c1ccccc1,1
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Cl)c(Cl)c1.Cl,1
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,0
O=C(O)C(c1ccccc1)C1(O)CC2CCC1C2,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,1
COc1ccccc1N1CCN(CCCOc2ccc(OCCCN3CCN(c4ccccc4OC)CC3)c(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)CC1,0
CCOC(=O)n1c(-c2ccccc2)c(O)[nH]c1=O,0
CCc1nc(N)nc(N)c1-c1ccc([N+](=O)[O-])c(Cl)c1,1
CSc1ncnc2c1ncn2[C@@H]1CCCO1,0
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(NCCN(C)C)c2c1,1
O=C(OCC1OC(OC(=O)c2ccccc2)C(F)C1OC(=O)c1ccccc1)c1ccccc1,0
CNCCO[C@@H](c1ccccc1)c1ccccc1C.Cl,0
CCN(CC)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23.Cl,1
Cn1cc(-c2n[nH]c(-c3ccc(Cl)cc3)nc2=O)c2ccccc21,1
C[C@H](CC(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1,0
O=CN(Cc1nc2ccccc2[nH]1)c1ccc(C(=O)O)cc1,0
CCCCN(CCCC)N=NN(CCCC)CCCC,0
Nc1ncnc(N)c1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1,0
CCCC[Sn](Cl)(CCCC)CCCC,1
COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O,1
N#CC1CCCCC1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Br,1
CCc1cc(CC)c(C(C)=O)c(CC)c1,0
CCN(CC)CCOC(=O)c1ccc(N)cc1O,0
CN1[C@@H](CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,0
C=C(C)COC(=O)Nc1ccccc1,0
C1=CCC2OC2C1,0
CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1,1
CSC[S+]([O-])CC(CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,1
COc1ccc2c(c1OC)[C@H](Br)CCC(Br)(Br)C2=O,1
CC(=NNC(N)=O)c1c(O)[nH]c(C(C)C)c1O,0
CCOC(=O)c1ccc(N(C=O)CCC(=O)O)cc1,0
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(-c2cccc([N+](=O)[O-])c2)c1,1
C[C@]12CC[C@@H]3c4cc(-c5ccc(F)cc5)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,1
CC1=C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)/C=C\C=C\[C@]56OCC[C@@]7(OC7C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@@H]5O[C@H](O)[C@H]6O,1
Cc1ccc(C(=O)C(Cl)[C@H](Cl)c2ccc(C)cc2)cc1,1
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](N)[C@H]2O[Si](C(C)C)(C(C)C)O1,1
C[Si](C)(O)CCl,0
Cc1cc2nc3c(C)c4ccccc4c(C)n3c2cc1C,1
COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)n(C)c2cc1C,1
O=C1Nc2ccccc2/C1=C\c1c(Cl)nc2sccn12,1
NC(=O)c1ccccc1NC(=O)c1ccccc1Cl,0
Cc1ccc(N=C=O)cc1N=C=O,0
Cc1cc(=O)n2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2n1,1
Nc1ncnc(Nc2ccccc2Oc2ccccc2)n1,0
COc1cc([C@H]2CC(c3c(C)[n+]([O-])c4ccc(F)cc4[n+]3[O-])=NN2)cc(OC)c1OC,0
Nc1ccc(I)c(Cl)c1,0
O=C1N=c2ccccc2=C1Cc1c[nH]c2ccc(C(=O)O)cc12,0
OCCn1cccn1,0
CN(C)Cc1c[nH]c2c(NCCN)c3c(c(NCCN)c12)C(=O)c1ccccc1C3=O,1
CNC(=O)Oc1ccc(C(=O)OC)cc1,0
CC(C)CC(CC(C)C)N(C)C(C)(C)O,0
COC(=O)c1cc(NC(=O)Nc2cc(C(=O)OC)n(C)c2)cn1C,0
CCOP(=O)(OCC)OC(=C(Cl)Cl)c1cc(Cl)ccc1Cl,0
CCCCS(=O)(=O)CCCC,0
CC1=C(C#N)[C@]23C(=O)N(c4ccccc4)C(=O)C2C(=O)C=C[C@]3(O)N1Cc1ccc(Cl)cc1Cl,1
CC(C)CC(=O)C(CCc1ccccn1)C(C)C,0
O=Cc1c[nH]c2ccc(-c3csc4ccccc34)cc12,1
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,0
CC(=O)CC(C)(C)c1ccc(Cl)cc1,0
Oc1ccc(O)n1C[C@@H](O)COc1ccccc1,0
CCCCCCN(CCCCCC)C(=S)NN=C(C)c1ccccn1,1
CN(Cc1ccccc1)c1ccccc1,0
O=C(O)CCC(=O)c1cccc([N+](=O)[O-])c1,0
Cn1cnc2c(cnn2C)c1=O,0
c1ccc2c3c(ccc2c1)-c1c(ccc2c(NCCCCN4CCCCC4)cccc12)C3,1
CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)C(C)[C@@H](O)C(C)C(=O)C(C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@]1(O[C@H](C[C@@H](C)O)[C@H](C)CC1=O)[C@@H]2C,1
C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C,1
O=c1cc(-c2cccnc2)[nH]c2cc3c(cc12)OCO3,1
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O.[Na+],1
O=C(O)C(F)(F)F.O=C1C(Br)=CC2(C=C1Br)CCN=c1c(O)c3c4c(c12)NCCC=4C=N3,1
Cc1nc(Cl)c(CBr)c(Cl)n1,1
C=C(Cl)[C@](Br)(CBr)CC[C@H](Br)C(C)(C)Br,1
O=C(NCCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1,1
CCCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
CCN(CC)C(=O)C(c1ccccc1)S(=O)(=O)N1CCOCC1,0
CC(C)C(C#N)(C(C)C)C(C)C,0
COC(C)CCOC(=O)c1ccccc1,0
CC(=O)Oc1ccc(OC(C)=O)c2c1[C@@H]1C=C[C@H]2CC1,0
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1,1
Nc1cc(N)nc(CS)n1,0
Cc1ccc(C(=O)OC(C)C)cc1,0
COc1ccc(C(c2ccccc2OC)c2ccccc2C(=O)O)cc1,0
O=Nc1ccc(O)cc1O.[Na+],0
COC(=O)C1C2CC(=O)C(C2)C1C(=O)OC,0
O=S(=O)(CCBr)CCBr,1
O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12,0
Nc1cc[n+]([O-])cc1CCc1ccccc1,0
CC(=NNC(=S)N1CCCCC1)c1ccccn1,1
S=C(NN=C(c1ccccc1)c1ccccn1)N(Cc1ccccn1)Cc1ccccn1,1
Nc1cc([N+](=O)[O-])ccc1C(=O)O,0
O=C(CCC(=O)Nc1ccccc1C(F)(F)F)NN=C1C(=NNC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc3c(c2)OCO3)Oc2ccccc21,1
O=C(CCc1ccccc1)N1CCN(C(=O)CCc2ccccc2)CC1,0
O=C1NC(c2cccc3ccccc23)Nc2ccc(Cl)cc21,1
Oc1ccc(Cl)c2cccnc12,0
Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1,0
C=C(CNCc1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
Cc1ccc(C(=O)NC2C(=O)NC([C@H](C)O)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC([C@H](C)O)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]3C)c1=N2,1
O=C(O)CSC(Nc1ccccc1C(=O)O)c1ccccc1,0
CN(N=C(c1ccccc1)c1ccccc1)c1ccccc1,0
N=C(N)Nc1ccc(C=C2C=Cc3ccccc32)cc1,1
C=Cc1ccc(CC)cn1,0
CC1(C)CC2=NOS3=C2C(=NO3)C1c1ccccn1,0
O=C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3cccc(N)c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
COc1ccc(/C=C2\CC[C@H](C)[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC,1
COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(C)=O)c2)cc1CC=C(C)C,1
CCN1CCOC1=O,0
CC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
CO[C@H]1O[C@@H]([C@H](C)Br)[C@H]2OC(C)(C)O[C@@H]12,0
O=C(O)COc1ccc(Cl)cc1C1CCCCC1,0
Cc1cn(C2CC(O)C(O)C(CO)O2)c(=O)[nH]c1=O,0
Cc1c2ccccc2c([C@H]2c3c(c(O)n(-c4ccc(Br)cc4)c3O)ON2C(C(N)=O)c2ccccc2)c2ccccc12,1
COc1cccc(-c2cc(=O)c3cccnc3[nH]2)c1,1
CC(=O)C1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C,0
COc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12,1
C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@@H]([C@@](C)(O)[C@H](C)O)NC(=O)C5CSC(=N5)C(=CC)NC(=O)C([C@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)C(C)NC(=O)C(C)=NC(=O)C(C)NC(=O)C(C(C)CC)N[C@H]2C=Cc3c([C@H](C)O)cc(nc3[C@@H]2O)C(=O)O[C@H]4C)n1)C(N)=O,1
N#C/C(=C\c1ccc(N(CCBr)CCBr)cc1)C(N)=O,1
Nc1ncnc2c1ncn2[C@@H]1CCCO1,0
c1ccc2c(CNCCCN3CCN(CCCNCc4cccc5ccccc45)CC3)cccc2c1,1
N#CCCN(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,0
COc1cc([C@H]2CC(c3ccc(SC)cc3)=NN2C(C)=O)cc(OC)c1OC,1
CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)C(=N)N=C1NC(C(F)(F)F)(C(F)(F)F)N=C(C(C(F)(F)F)C(F)(F)F)O1,1
CCOC(=O)C1(C(=O)OCC)COC(=O)C2(CC)OC21,0
CCOC(=O)CSSCC(=O)OCC,0
CCOC(=O)c1cc(=O)[nH]c(O)c1N=Nc1ccccc1,0
CC=c1nc(N)nc(N)c1=c1ccc2c(c1)[NH](=O)N(c1ccccc1)N=2,1
COCCOCOC(C)(C)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C,1
CCN(CC)CCOc1ccc(C(=C2CCCCC2)c2ccc(OCCN(CC)CC)cc2)cc1,1
O=C1C=Cc2ccc(O)cc2C1=O,0
CCOC(=O)C1=C(c2ccccc2)N(Cc2ccccc2)[C@]2(O)C=CC(=O)C3C(=O)N(c4ccccc4)C(=O)[C@]132,1
Cl.Nc1ccc2ccccc2c1O,0
C=c1c(C(=O)CCCCC(=O)NC(C)(C)C)c(C)[nH]c1=Cc1[nH]c(-c2ccc[nH]2)cc1OC.Cl,1
NS(=O)(=O)c1ccc(N=Nc2nc3[nH]cnc(=S)c3[nH]2)cc1,1
Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C.[Cl-],1
COc1cc2c(cc1OCCCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,1
Cc1csc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c(/C=N/N=C(N)N)n12.Cl,1
COc1cc(C2c3cc4c(cc3C(NCc3ccccc3F)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Clc1ncnc2c1nc(C#Cc1ccccc1)n2[C@H]1CCCCO1,1
Cc1cc(C)c(Br)c(C)c1,0
CCCC[Sn+2]CCCC.CSCC(N)C(=O)[O-].CSCC(N)C(=O)[O-],1
O=C(OCCO)c1ccc(O)c(O)c1,0
C1CNCCN1.C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C,0
CCN(CC)CC1CO1,0
C=CC[C@@]1(O)c2ccccc2C(=O)c2c(O)ccc(O)c21,1
Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)c3ccccc23)cc1,0
CC[C@@]1(O)C(=O)OCc2c1c(Cl)c1n(c2=O)Cc2cc3ccccc3nc2-1,1
N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCCN2CCCCC2)n1-c1ccccc1,1
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,1
C[n+]1ccccc1C=NO.[Cl-],0
c1cn([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cn1,0
CCOC(=O)C(C#N)C(=N)CC(=O)O,0
COc1ccc(C(=O)Cn2c(C(=O)c3ccccc3)nc3ccccc32)cc1,1
COc1cc(CNc2cc(C(C)(C)C)nn2-c2ccccc2)cc(OC)c1OC,0
CCC(C)(O)C#CC#CC(C)(O)CC,0
CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1,0
O=C(Nc1ccccc1)OCCNC1CCCCC1,0
Cc1cc(=O)[nH]c(NN[C@@H](C#N)c2c(O)ccc3ccccc23)n1,1
C=CCOC(=O)C(O)c1ccccc1,0
CC(C)c1nn[nH]n1,0
CC1(C)C2CC[C@@]1(C)C(=O)C2N.Cl,0
C=c1nc2sc(C)cn2c1=Cc1c(O)[nH]c2ccc(Cl)cc12,1
CSc1ncc(Br)c(Sc2nc(N)nc3[nH]cnc23)n1,1
N#Cc1nc(C#N)c(Sc2ccccc2)c(Sc2ccccc2)c1Sc1ccccc1,1
C/C=C(\C)C(=O)N[C@@H]1[C@H](O)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@@H](C)N(C)C)CC[C@@H]34)[C@@]2(C)C[C@@H]1OC(C)=O,1
O=c1[nH]c2ccc(Cl)cc2[nH]1,0
CC1(C)CC(N)CC(C)(CN)C1.S=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1,1
Cc1nc(N)ncc1CCC1OCCO1,0
O=C1c2ccccc2C(=O)N1CCP(=O)(c1ccccc1)c1ccccc1,0
Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12,0
O=C1C(=Nc2ccc(OC(F)(F)F)cc2)C(Cl)C(=O)c2c(O)ccc(O)c21,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CO)CC1OC1CC(OC(C)=O)C(OC(C)=O)C(C)O1)C3=O,1
O=C(O)c1cccc2c1-c1ccccc1C(Br)C2Br,0
CO[C@H](COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,1
CN1C(=O)C(=Cc2cn(C(=O)c3ccccc3)c3ccccc23)C(=O)N(C)C1=O,0
N=C(N=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0
COC(=O)CCOc1ccccc1,0
CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN(C)C)c3ccccc3n(c1=O)c24,1
c1ccc(C[Sn](Cc2ccccc2)(Sc2cccc3cccnc23)Sc2cccc3cccnc23)cc1,1
CCCCCCC1(C)NC(=O)NC1=O,0
O=C(O)Cn1c(O)ccc1O,0
O=C1CCC2CC1CCC2=O,0
C=C(C)CCCC(C)CC#N,0
Cl.Cl.Cl.Cl.NC1CCCCC1N.[Pt+6],1
O=C(O)/C=C/C(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1,1
COc1cc(Cn2c(=S)ssc2=NC(=S)N(C)C)cc(OC)c1OC,1
Cl.O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCn1ccnc1,1
CN(C)CC[C@]1(C2=CCCC2)CC/C(=C/c2ccc(Cl)cc2)C1=O.Cl,1
CCOC(=O)c1c(CN2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1,1
Cc1cc(N=C2C=CC(=O)C=C2)c(N)cc1N,0
NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(N)=O)NC(=O)OCc1ccccc1,0
O=C(CCl)Oc1ccccc1Cl,0
COc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1,1
Cc1cnc2[nH]c(-c3ccc4ccccc4c3)cc(=O)c2c1,1
C[S+]([O-])CCC(N)C(=O)O,0
CS(=O)(=O)Nc1ccc(CC#N)cc1,0
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(c(N)c3c(c2OC)OCO3)CCN1C.Cl,1
COc1ccc2c(c1)[C@@]1(C(=O)O)CC=CC[C@]1(C(=O)O)C2,0
CN(C)c1ccc(C=Cc2ccnc3c(O)cccc23)cc1,1
NC(=O)[C@@]1(C(=O)O)O[C@]1(c1ccc(Cl)cc1)c1ccccc1Cl,0
CC12CCC(C([N+](=O)[O-])C1=O)C2(C)C,0
CCCCCCCCCCCCNC1(C)CNCCCNCCNCCCNC1,1
CCN(CC)C(=O)Cn1ccc(NC(C)=O)nc1=O,0
CSc1nc2[nH]cnc(=S)c2[nH]1,0
COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1c(Cl)nc2sccn12,0
CCOC(=S)SC1CCCC1,0
CCOC(=O)c1ccccc1O,0
CN(C)CC1(C)CC(=O)C(Br)C(C)(C)C1,0
Cc1c(CCO)c(=O)n2n1CCCC2,0
CCOC(=O)[C@@]1(C)CCCC1=O,0
Cl.Nc1ccc(-c2ccc(N)cc2)cc1,0
CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cc6ccccc6nc5NC4(C)CCC32)C1,1
O=C(NNS(=O)(=O)c1ccccc1)c1cccnc1,0
COC(=O)c1oc2c(C(C)=O)c(OCCN3CCCCC3)ccc2c1C.Cl,0
O=C1NN(CCO)C(=S)Nc2ccccc21,0
Cc1ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc1,0
CCCCCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
Cc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1,1
CCCCOC(=O)C(=O)OCCCC,0
c1ccc([C@H]2NCCN[C@H]2c2ccccc2)cc1,0
OCc1ccc(Cl)c(Cl)c1,0
COc1ccc(N)cc1OC,0
O=[N+]([O-])c1ccc(OP2(=O)COCCO2)cc1,0
Oc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1,1
CC(C)(C)c1ccc(O)c(N)c1,0
CC1(C)CC(N(C(=O)C=Cc2ccc([N+](=O)[O-])o2)C2CCCCC2)CC(C)(C)N1,1
CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC,1
Cc1ccc2nc(C=Nc3ccc(Cl)cc3)cc(C)c2c1,1
O=C(O)c1ccc([N+](=O)[O-])cc1-c1cc([N+](=O)[O-])ccc1C(=O)O,0
Cn1c2c(c3ccccc31)CCN1CC3CCCCC3CC21,1
COc1cc2c(C=C3C(=O)Nc4cc(C)c(O)cc43)c(Cl)[nH]c2cc1C,1
O=C(CCCCCCCC(=O)N1CCCC1)N1CCCC1,0
CCC1(CCC(C)C)C(=O)NC(=S)NC1=O,0
N#CC(C#N)C1=NC2(CCCCC2)N=C1N,0
CC(=O)N(O)[C@@H](C)C#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1,0
COc1ccc(/C(=C/c2ccccc2)C(=O)O)cc1,0
COc1ccc(O)c(CN2CC3CCC(CC3)C2)c1,0
CCCCN(CCCC)P(=O)(Oc1ccccc1)Oc1ccccc1,1
CN(C)c1ncnc2c1ncn2C1CCCO1,0
Oc1ccc2ccccc2c1C=Cc1ccc2c(Br)cc(Br)c(O)c2n1,1
CCCCOCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O,1
CC=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,1
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CS(=O)(=O)CC1=Cc1ccc([N+](=O)[O-])cc1,1
Br.CNNCc1ccc(C(=O)NC(N)=O)cc1,0
COc1ccc(C(C#N)c2ccc(N=O)cc2)cc1,1
CN(C)C1OCCO1,0
Cc1cc(C)c(S(=O)(=O)N(CCCN)OCCCON(CCCN)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1.Cl,1
Clc1nc(Cl)c2c3c(sc2n1)CCCC3,1
COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)OC(C)C3OC(c4ccccc4)OC32)C1O,1
CCC(C)(C)c1ccc(O)cc1,0
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CO)CC1OC1CC(N2CCOCC2C#N)C(O)C(C)O1)C3=O,1
CSc1cccc(NC(=O)Nc2ccccc2C(N)=O)c1,0
CC(=O)N(O)c1ccc(C=Cc2ccccc2)cc1,1
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccncc1,0
CSC(SC)C(SC)SC,0
C=C(CN1CCc2ccccc2C1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1,1
Cc1c(CNc2ccc(C(=O)NC(CC(=O)O)C(=O)O)cc2)ccc2nc(N)nc(N)c12,1
CC(=O)OC[C@H]1O[C@@H](O[C@H]2C=CC(C(=O)OCc3ccccc3)n3c(=O)n(-c4ccccc4)c(=O)n32)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,1
CC1C(c2ccccc2)OCCN1C=NC#N,0
O=C1/C(=C/c2ccc(F)cc2)CCOc2ccc([N+](=O)[O-])cc21,1
CCC(C)=NNc1nc(=O)cc(C)[nH]1,0
CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
O=C1NC(=O)[C@](O)(C(=O)O)N1.[Na+],0
CCN(CC)c1ccccc1,0
NC(=O)/C=C/C(=O)c1c(Cl)cccc1Cl,1
CSc1nc(Cl)c(Br)c(Sc2nc(N)nc3[nH]cnc23)n1,1
CN(NC(=O)NN(C)C(=O)c1ccccc1)C(=O)c1ccccc1,0
C/C(=N\N=C(N)N)c1ccc(F)cc1.Cl,0
CCN(CC)CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC,1
O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)c(Cl)c3)nc21,1
COc1cccc(CCn2c(N)c(-c3ccccc3)c3ccc([N+](=O)[O-])cc3c2=O)c1,1
Cc1cc(/C=C\c2ccc3ccccc3[n+]2C)c(O)c2ncccc12.[I-],1
O=C(Nn1cnc2ccccc21)N1CCCC1,0
Cl.Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1,1
O=Nc1c(O)cc(O)c2ccccc12,0
O=C(O)c1cccc2c1Cc1cc([N+](=O)[O-])ccc1-2,0
Cc1ncc(COCc2ccccc2)c(CO)c1OCc1ccccc1,0
CCc1nc(N)nc(N)c1-c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1,1
CCOC(=O)C(C)(C)N,0
Cc1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3sc12.I,1
CCN1C(c2ccccc2)=CC(c2ccccc2)(C(Cl)(Cl)Cl)C=C1c1ccccc1,1
Cc1cc2c3c(nc4ccccc42)C(=O)c2cccnc2-c3n1,1
CCOC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)C(CC(C)C)NC(C)=O,1
COc1ccc(OC)c(C=Cc2cnnc3ccccc23)c1,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)OC(C)(C)C)c3ccccc3)C[C@@](O)([C@@H](OC(=O)C3CCCCC3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
CCC(=O)OC(C)COc1ccccc1,0
COc1cc2c(cc1C)=NC(=O)C=2Cc1c(Cl)n(C)c2ccccc12,1
COCC(N=CN1CCCc2ccccc2C1CCCCl)C(C)(C)C,1
C1=CC2CCC1CC2c1ccccc1,0
CC(=O)Oc1ccc(/C=C/C(=O)OCCOC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,1
CCCCC=CC1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1,1
O=C1CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1,1
CCCNc1c(O)cc2c(O)c1C=C(C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)N2,1
Cn1c(O)ccc1O,0
CCOC(=O)C(C)NCc1ccccc1,0
COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(O)c1[C@@H]1C[C@H](CCc2ccc(O)cc2)O[C@H](c2ccc(O)cc2)C1,1
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F,1
CCCCCC(=O)P(=O)(OCC)OCC,0
CN1N=CSC12C(=O)N(c1ccc(Cl)cc1)C(=O)N2c1ccc(Cl)cc1,1
CCCCOC(c1ccccc1)N1CCCCC1,0
C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1,1
CCN1CCCC(Nc2cc(C)[nH]c(=NC(=N)Nc3ccc(Cl)c(Cl)c3)n2)C1,1
O=CC(=C(I)I)c1ccccc1,1
Cc1cccc(-c2cc(=O)c3cc(C)cnc3[nH]2)c1,1
COc1ccc(OC)c2c1[nH]c(=O)c1c3ccccc3cn21,1
C#CC(O)CC,0
CN(C)C(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0
CC(=O)Oc1cc2cnc3c4cc(OC(C)=O)c(OC(C)=O)cc4ccc3c2cc1OC(C)=O,1
CCSC(=O)C=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,1
c1ccc2c(Nc3ccc(Oc4ccc(Nc5c6ccccc6nc6ccccc56)cc4)cc3)c3ccccc3nc2c1,1
NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
CCOC(=O)c1cc(Cl)cc(C(=O)OCC)n1,0
COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc(OC)c1OC,1
O=c1cc(-c2ccccc2)[nH]c2ccc(N3CCCCC3)cc12,1
NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O,0
CCCCCCCCCCCCCCCCCCNC(=O)C(C)O,0
COc1ccc(NS(=O)(=O)N2CCCCC2)cc1,0
CC(=O)N[C@H]1[C@@H](OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCN[C@H]2c3ccccc3Nc3cccc([N+](=O)[O-])c32)C(N)=O)C(C)C)[C@H](O)[C@H](CO)O[C@@]1(C)OCc1ccccc1,1
NC1c2ccccc2Nc2ccccc21,1
CC1=C2CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]2CC1,0
O=C1c2ccccc2-c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21,1
O=S(=O)(CSc1ccccc1)c1ccccc1,0
O=C(CCC(C(=O)O)N1C(=O)c2ccccc2C1=O)Nc1ccccc1,0
CC(=O)Oc1ccc2[nH]c3c(C)c4cccc-4ccc3c2c1,1
CC(=O)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1,0
O=C(O)C(F)(F)F.O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCNCCCNCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2,1
COc1cccc([C@@H](C#N)NNC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1O,1
O=c1[nH][nH]c(=O)c2nc(Nc3ccccc3)ncc12,0
Cl.N=C(N)N/N=C/c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc2sccn12,1
COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H]1O[C@H]3[C@@H](C)[C@H]1C)OCO2.COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@H]1C,0
Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,0
C[Si](C)(C)C[NH-].C[Si](C)(C)C[NH-].[Cl-].[Cl-].[Pt+4],1
COc1cccc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)c1,1
COc1ccc(C(=O)c2ccc(OC)c(OC)c2OC)cc1,1
CC(=NNC(=[SeH])N1C[C@H]2CC[C@H](CC2)C1)c1ccccn1,1
COc1ccc([N+](=O)[O-])c2c(=NCCCN(C)C)cc[nH]c12.Cl,1
Cc1cc(C)c2c(=O)cc(-c3ccccc3)[nH]c2c1,1
CN1CCN(c2ccc3[nH]c(C4C(=O)C(=O)c5c(nc(CCl)n5C)C4=O)nc3n2)CC1,1
CSCC(C(=O)NCc1ccc(Cl)cc1Cl)n1c(O)c2c(c1O)CCCC2,0
CCOP(=O)(OCC)Oc1cc(C)c(N(C)C)c(C)c1,0
CCOC(=O)c1nn(-c2ccccc2)cc1O,0
Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl,1
O=C1C=C[C@H]2O[C@H](c3ccccc3)[C@H](O)[C@@H]2O1,1
CC1(C)[C@@H]2CC=C(CCOC(=O)COc3cc(Cl)c(Cl)cc3Cl)[C@H]1C2,0
CC(C)(C)C1CCC(=NO)CC1,0
CSC(=Nc1ccccc1)N=C(SCc1ccccc1)N(C)C.I,1
Nc1cc(S(N)(=O)=O)ccc1N1CCCCC1,0
O=C(OCCOCCOC(=O)Oc1ccccc1)Oc1ccccc1,0
COc1cc(C(=O)Oc2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,0
CC(C)(C)c1cc(C(C)(C)C)c2sc(=S)oc2c1O,1
C=C1C(=O)OC2CC3(C)CCCC(=C)C3CC12.C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,1
O=[N+]([O-])c1ccc(NN=Cc2ccccc2)nc1,0
CC[C@]1([N+](=O)[O-])CO[C@H](c2ccc(C(C)C)cc2)OC1,0
COc1cc(C2C3=C(O)OCC3C(Nc3ccc(N)cc3)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
CCCSc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1,0
COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1,1
CCc1c(Nc2ccccc2C)[nH]c(N)nc1=O,0
O=[N+]([O-])c1ccc([IH]c2ccccc2)cc1,1
COc1ccccc1/C=N/NC(=O)N/N=C/c1ccccc1OC,0
Cc1ccnc2ccc(O)cc12,0
O=C1NC(=O)[C@](c2ccccc2)(C2CCCC2)N1,0
CCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)c2c1,0
Cc1ccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c(C)c1,1
O=c1nc(C=NO)c2nnoc2[nH]1,0
CC(C)CC1(CCc2ccccc2)C(=O)NC(=O)NC1=O,0
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1O[C@@H](O[C@@H](CN)c3cc(Cl)c(OCc4ccccc4)c(OCc4ccccc4)c3)C[C@H]21,1
CCCCNC(=O)c1ccccc1C(=O)NC1(C(=O)NCCCC)CCCC1,0
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O,1
CCCCCOC(=O)c1cc2cc(CCl)ccc2oc1=O,1
COc1cc2c3c(n(CCCOC(=O)C(F)(F)F)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
CCCC[Sn+2]CCCC.O=C([O-])c1cc(F)ccc1F.O=C([O-])c1cc(F)ccc1F,1
C[N+]1(C)CCN(c2ccccc2)CC1.[I-],0
CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c1ccccc1,1
O=C1CCCN1c1ccccc1,0
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C\N3CCCC3)C[C@@H]12,0
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1,0
Oc1cc(Cl)cc2cc(Br)cnc12,1
C=CCC(NC(=O)Cc1ccccc1)C(=O)OCC,0
Clc1ccc(SC2Cc3ccccc3C2)cc1,0
CCN(CC)CCNS(=O)(=O)c1ccc(C)cc1,0
CC(=O)N(C)c1ccc(/N=N/c2ccc3ncccc3c2)cc1,0
c1ccc2nc(OCCN3CC3)ccc2c1,1
CN(NS(=O)(=O)c1ccccc1)C(=O)c1ccccc1,0
CCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12,0
COc1cc([C@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(F)cc3)[C@H]3COC(=O)N23)cc(OC)c1O,1
CON=C(C)c1ccc(Nc2cc(-c3ccccc3)nc3ccc(OC)cc23)cc1,1
CCCCn1ccnc1,0
Cc1cc(C)c(-c2c(O)c(Br)c(-c3c(C)cc(C)c(Br)c3C)c(O)c2Br)c(C)c1Br,1
CC=C(CC)C1(CC)C(=O)NC(=S)NC1=O,0
CC(=Cc1ccc2ccccc2c1)[N+](=O)[O-],1
CC1=C2CC(=O)C(C=O)CC2(C)C2C(=C1)C1CC(C)C3(OCOC34COCO4)C1(C)CC2O,1
COc1ccc2nc(CI)c(CI)nc2c1,1
COc1ccc2c(c1)CCN1[C@@H]3CCC(=O)N3CC[C@@H]21,0
CC(C)C(C)(O)C#N,0
Cc1c(Cl)cccc1N=C=S,0
O=C(Nc1ccccc1)OCc1ccco1,0
COc1ccc(C=CC(C)=NNC(=O)c2ccncc2)cc1,0
CCCC[Sn+2]CCCC.O=C([O-])/C=C/c1ccccc1F.O=C([O-])/C=C/c1ccccc1F,1
C[C@@H]1CCCC[C@@H]1CNC[C@H]1CCCC[C@H]1C,0
CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)ccc1O.Cl,1
CC1(C)OC2OC(C3COC(=O)O3)C(OC(=O)c3ccccc3)C2O1,0
Clc1ccc2c(SC[C@@H]3CO3)c3ccccc3nc2c1,1
COc1ccc(NC(=O)CSc2nnc(-c3cc(F)c(Cl)cc3Cl)n2N)cc1,0
CCCCC1(O)CCCCC1,0
COc1ccc2c(c1)CCc1cnoc1-2,0
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O[C@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C,1
Cc1ccccc1-c1csc(N)n1,0
NC(N)=O,0
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2cccc3c2c1CC3,0
C=c1cc(O)c(=CN2CCNC2=S)c(=O)o1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(C#N)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
COCCN(CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)CCOC.Cl,1
Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SC(=N)N2,1
COC(=O)[C@@]12OC[C@]34[C@@H]([C@@H](O)[C@H]1O)[C@@]1(C)CC(=O)C(OC(=O)/C=C(/c5ccccc5)C(F)(F)F)=C(C)C1C[C@H]3OC(=O)C(O)[C@@H]24,1
COc1cccc2c1N=C1CCC[C@H]3CN(C(C)=O)CC[C@]123,0
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)C(O)c3ccccc3)[C@H]2SC1.[Na+],0
O=C1NC(=O)C(=O)C(=O)N1,0
O=C1C=CC(=O)c2cc3cc(CBr)ccc3cc21,1
O=C(CC(=Nc1ccccc1O)c1ccc(Br)cc1)C(Cl)(Cl)Cl,1
CCCCCCCCCCSC#N,0
C/C=C/C=C/c1cc2cc3c(c(O)c2c(=O)[nH]1)[C@@]1(CC3)C(=O)C2=C(C(=O)c3c(O)c(OC)cc(O)c3C2=O)C1=O.[K+],1
CC(C)(C#N)N1CCN(c2cccc(Cl)c2)CC1,0
CCCCOCCOCCN,0
Cl.N=C(N)N=C(N)NCCc1ccccc1,0
Cc1cccc(C)c1OCc1nnc(SCC(=O)O)n1-c1c(C)cccc1C,0
CC(=O)Cc1nn(Cc2ccccc2)[nH]c1=O,0
O=c1c2c3c(sc2n2c(SCc4ccccc4)nnc2n1Cc1ccccc1)CCCC3,0
O=C(O)c1c(O)c(O)cc2ccccc12,0
CCOC(=O)c1nnsc1[C@@H](OC)Oc1ccccc1,0
Cc1cc(C)n(-c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)n1,0
CCN(CC)CCn1ccc(=O)c2cc3c(=O)ccn(CCN(CC)CC)c3c(C)c21,1
Nc1c(I)cc([N+](=O)[O-])cc1I,0
COc1ccc(C(C#N)c2ccc(N=O)c3ccccc23)cc1,1
O=C(Nc1ccc(Cl)cc1Cl)C1C(=O)OC2(CCCCC2)OC1=O,1
CCOc1cccc2nc3cccc(C(=O)NCCN(C)C)c3nc12.Cl,1
CCN(CC)Cc1cc(Nc2c3ccccc3nc3c4ccccc4n(C)c23)cc(CN(CC)CC)c1O.Cl,1
O=C(NN=Cc1cc(=O)[nH]c(=O)[nH]1)c1ccncc1,0
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.O,0
CN(C)C(=O)c1cccc(N)c1,0
Cn1c2ccccc2c2nnc(NN=Cc3ccccn3)nc21,1
Clc1ccc(Nc2nc3ccccc3c3occc23)cc1,1
O=S1(=O)CC2=C1C=CCCCC2,0
O=c1[nH]c(=S)[nH]c2c1CN(CCCN1CCN(CCCN3CNc4[nH]c(=S)[nH]c(=O)c4C3)CC1)CN2,0
CC(=O)N(C)c1ccccc1O,0
CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4C(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1.Cl.Cl,1
CC(=O)Oc1ccc(OC(C)=O)c2c1CC(C)=C(C)C2,0
CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(C)=O)c(C(F)(F)F)[n+]2[O-],1
COc1cccc(-n2c(O)c3c(c2O)[C@@H]2CCc4ccccc4[C@H]2c2c-3[nH]c3ccccc23)c1,1
CC(C)OCCOCCO,0
Brc1cccc2ccccc12,0
CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,1
O=C1CC2C(=O)N(Cc3ccccc3)C1C(S(=O)(=O)c1ccccc1)C2S(=O)(=O)c1ccccc1,1
OC1CCC2CCCC2C1,0
COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)nc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)n1,1
CC(=O)C([C@H](c1ccccc1)N1CCCc2ccccc21)N1CCOCC1,0
COc1cccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)c1O,1
CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)O,0
O=c1[nH]cc(Br)c(=O)[nH]1,0
Cn1cc(-c2cc(-c3cn(C)c4ccc(Cl)cc34)on2)c2cc(Cl)ccc21,0
Cc1cc(Oc2cnc(=O)[nH]c2)cs1,0
Cc1nc2ccccc2c(=O)n1N,0
OCCSc1ccc(Cl)cc1,0
COc1ccccc1/C=N/N1CCCCCC1,0
CC(C)(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1,1
CCCCn1c2c(n(CCCC)c1=S)-c1c(n(CCCC)c(=S)n1CCCC)SSSS2,1
CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2CCCC[C@@H]2OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,1
O=C(O)c1ccccc1C=NNc1ccc([N+](=O)[O-])cn1,0
Cc1nonc1-c1ccc2c(c1)OCO2,0
CC(=O)O.Cc1cc(C)c(F)cc1N,1
c1ccc(CN2c3nc4ccccc4cc3Sc3cc4ccccc4nc32)cc1,0
O=[N+]([O-])c1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1[N+](=O)[O-],1
CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
O=C(N=C1C(=O)c2ccccc2C(=O)C1Cl)C(=O)c1c(O)c2ccccc2oc1=O,1
CCOC(=O)C=Cc1ccc(Br)cc1,0
CCOC(=O)[C@]1(C/C=C/CBr)Cc2ccccc2C1=O,1
C/C=C(\C)C1(CCC)C(=O)NC(=S)NC1=O,0
CCOC(=O)[C@@]1(C)CCCC(C)C1=O,0
c1ncc2c(n1)-c1c[nH]cc1CC2,0
O=[N+]([O-])c1ccc(CBr)c(I)c1,0
Cc1ccccc1NCCO,0
O=C1O[C@H]2C=CC1c1c(O)oc(O)c12,0
O=C(O)C=CC(=O)CCc1cc(Cl)ccc1O,0
NC(=S)N/N=C/Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O,0
O=C(O)[C@@]12[C@@H]3CC[C@@H](O3)[C@]1(C(=O)O)[C@@H]1CC[C@H]2O1,0
Cn1c(-c2ccc[se]2)ccc1-c1ccc(CO)[se]1,1
CCN(CC)CCN(CC)c1ccccc1,0
Cc1csc(/N=C/c2ccc([N+](=O)[O-])o2)n1,0
CSC(=O)C=C1SSC(=CC(=O)SC)S1,1
O=C1c2cc3c(cc2[C@@H]2C1c1ccc([N+](=O)[O-])cc1C(=O)N2CCCCl)OCO3,1
CC1(C)O[C@@H]2O[C@H]([C@@H]3COC(=O)O3)[C@H](OC(=O)c3ccccc3)[C@@H]2O1,0
OC1=c2c(c3ccc2cc3)=C(O)C2C=NC=CC12,1
CN(Cc1ccccc1)CC1C2CCC(C2)C1O,0
S=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,0
O=c1cc(O)[nH]c(=O)n1-c1ccccc1,0
CN(C(=O)c1cc2c(s1)sc1c(=O)n(C)c3ccccc3c12)c1ccccc1,1
COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCc4ccccc4)cc3c2cc1OC.CS(=O)(=O)O,1
S=C1NC2(CCCCCC2)NN1c1ccccc1,1
Oc1cccc(Nc2nc3ccccc3c3occc23)c1,1
CC(CCN1CCN(CCC(C)CC(C)(C)C)S1(=O)=O)CC(C)(C)C,0
O=C(/C=C/c1cccs1)c1ccc(Cl)s1,0
N#CC12CC3=C(N=C1NC1=C(CCc4ccccc41)C2)c1ccccc1CC3,1
CCOC(=O)C(C#N)Cc1ccccc1,0
Cl.c1cc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4s3)s2)ccc1C1=NCCN1,1
O=C1C(Br)=CC2(C=C1Br)CCN=c1c2c(O)c2nc3ccccc3c3ccnc1c23,1
O=C(C=Cc1cccnc1)C=Cc1cccnc1,1
O=C(Oc1ccccc1Cl)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
Cn1c(=O)c2ncn(CC(=O)O)c2n(C)c1=O,0
Cc1nc(N)sc1C(=O)Nc1ccc(F)cc1,0
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](c4ccc(=O)oc4)C[C@H]4O[C@]342)C1,1
COc1ccc(Oc2cccc([C@H]3c4c(c(O)n(-c5ccc(C)c(Cl)c5)c4O)ON3C(C(N)=O)c3ccccc3)c2)cc1,1
S=C1Cc2c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc2-c2ccccc2N1,1
C=C(C)C(=O)N1CCN(C(=O)C(=C)C)c2ccccc21,0
C=c1c(NOC)cc(C)c(O)c1=C,0
CCCC[Sn+2]CCCC.O=C([O-])CN=Cc1c([O-])ccc2ccccc12,1
CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,0
CCN(CC)CCN[C@@H](Cc1ccccc1)c1cccc(OC)c1,0
CN(C)C[C@@H](NC(NCS)C(=O)NCCNc1ccc(NCCNC(=O)C(NCS)N[C@H](CN(C)C)OCCl)c2c(O)c3c(c(O)c12)C(=O)C=CC3=O)OCCl,1
O=C1CCCc2c1oc1c2CCCC1,0
CC(C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
O=C(O)CCC(=O)O,0
c1ccc(CN[C@H]2CN3CCC2CC3)cc1,0
CC1Sc2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2NC1=O,0
NNC(=O)c1ccccc1,0
C[C@H](NCCN[C@H](C)c1ccccc1)c1ccccc1,0
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12.CS(=O)(=O)O,1
O[C@H]1CCCc2ccccc21,0
NCC(=O)N1CCN(c2nc(N3CCCC3)c3nc(Cl)c(NCc4ccccc4)nc3n2)CC1,1
[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1CO[C@@H](c1ccccc1)[C@H](c1ccccc1)OCc1cccc(n1)CO[C@@H](c1ccccc1)[C@H](c1ccccc1)OC2,1
CCCCNC(=O)Nc1ccccc1CC,0
Clc1c(Cl)c2c(Cl)c(Cl)c1C[PH](c1ccccc1)(c1ccccc1)CC[PH](c1ccccc1)(c1ccccc1)Cc1c(Cl)c(Cl)c(c(Cl)c1Cl)C[PH](c1ccccc1)(c1ccccc1)CC[PH](c1ccccc1)(c1ccccc1)C2,1
CCC(=O)N(CCC(C)C)c1ccccc1,0
CCCCCCCCOc1ccc(/C=C/C2=[N+](CCO)CCO2)cc1.[Cl-],1
CNc1ncnc(Sc2nc(N)nc3[nH]cnc23)c1[N+](=O)[O-],1
Cn1c(N2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O,0
CCn1cnc2c(=S)[nH]cnc21,0
c1ccc(CCCCc2ccncc2)cc1,0
N#CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCC(CC2CCC(NC(=O)C(C#N)=Cc3ccc(O)c(O)c3)CC2)CC1,1
CCCCCCCOC(=O)COc1ccccc1,0
S=c1sc2ccccc2n1CNc1ccccc1Cl,0
COc1ccc(OC)c(C#Cc2ccc(OC)c(C(=O)NCCc3ccc(F)cc3)c2)c1,1
CCCCC(=O)OCC1OC(n2cnc3c(=S)[nH]cnc32)C(OC(=O)CCCC)C1OC(=O)CCCC,1
O=C(O)CC1(CC(=O)O)CCCCC1,0
CC(=O)Oc1ccc(Cl)cc1CN(C(C)=O)C1CCCCC1,0
CC(=O)c1cccc(N[C@H]2[C@H](N)[C@@](NC(=O)N(C)C)([C@H](C)O)[C@](C)(O)[C@@]2(O)COC(=O)c2c(C)cccc2O)c1,1
CC(=O)NCC1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,0
CC(=O)OC1=C2C(C)C(OC(=O)C(O)C(NC(=O)c3ccc(Cl)cc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
O=C(c1ccccc1)c1c2n(c3c1cc(O)c1ccccc13)CCN2,1
COc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-],0
CN(CCCN(C)CCC1CCCCC1)CCC1CCCCC1,1
CCCCCCCCNCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OCCCN)C[C@H]4C[C@H](OCCCN)CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C,1
Cc1c2cccc(Sc3ccccc3)c2c2c3c(cccc13)[S@@+](c1ccccc1)C2.[Cl-],1
OC[C@H]1O[C@H](n2cnc3c(N4CCCCC4)ncnc32)[C@@H](O)[C@H]1O,0
Clc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)c(Cl)c1,1
Cc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NCc1ccccc1,1
O=C(NCc1ccco1)Nc1cccc([N+](=O)[O-])c1,0
CN(CCCCCl)[P@@](=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O,1
O=C(C(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1,1
CCCCOC(c1ccc2c(c1)OCO2)C(C)Br,0
C[C@@H](CO)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13,1
Oc1cc(F)cc2cccnc12,1
C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](O)C[C@@H]12,0
ClCCO[C@@H]1C[C@@H]2CC[C@H]1C2,0
CC(C#N)(C#N)/N=N/c1ccc(Cl)cc1Cl,0
Cc1nc2c(=O)[nH]c(=S)[nH]c2[nH]c1=O,0
CCOC(=O)c1c[nH][nH]c1=O,0
O=C(NCC1CC1)c1cccs1,0
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCCN)OCO2,1
CCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)NCCCCCCCCCC,1
CCCCOC(=O)N1CCCC[C@H]1C,0
CN(C)C1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12.Cl,1
CCCC(=NNC(=S)N1CC2CCC(CC2)C1)c1ccccn1,1
COc1ccc([C@H]2CC(c3ccc(Nc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)cc3)=NN2C(C)=O)cc1,0
O=C(SC1=NCCS1)SC1=NCCS1,0
C=CCC(C(=O)OCC)(C(=O)OCC)[C@H](C)CCC,0
O=[N+]([O-])c1cccc(CN(Cc2cccc([N+](=O)[O-])c2O)C2CCCCC2)c1O,0
Cc1cc(C)cc(OP(=O)(Cl)Oc2cc(C)cc(C)c2)c1,0
O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1,0
CC(c1ccccn1)C(C)(O)C(C)c1ccccn1,0
CCc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1,1
CCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)O,0
CCCCCCc1cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=N)oc2cc1O,1
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,1
Cc1nn(-c2ccccc2)c(N)c1N=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1,0
Cl.c1cnc2c(c1)ccc1cccnc12,1
CN1CCN(CCCCNc2cc3c4ccccc4c(NCCCCN4CCN(C)CC4)cc3c3ccccc23)CC1.Cl,1
CCN(CC)c1ccc(N=C2C=CC(=C(C#N)C#N)c3ccccc32)c(C)c1,1
COc1ccc(NNC(=O)N=C(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1,1
Cl.N=C(N)NN=C1CCCCC1,0
CC(=O)[C@]1(O)C=C2C(=O)c3c(c(O)c4ccccc4c3O)C(=O)C2[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2F)C1,1
Cc1cc(C)n(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)n1,1
CN1CCc2cc3c4cc2C1Cc1ccc(cc1)Oc1cc(ccc1O)CC1c2c(cc(O)c(c2O4)O3)CCN1C,1
O=[N+]([O-])/C=C/c1cccc(F)c1,1
CS(=O)(=O)Oc1ccc(Cl)cc1,0
O=S(=O)(O)CCI,0
CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3[o+]c2c1.[Cl-],1
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)[C@]2(C#N)C(=O)C(Cl)C(Cl)C(=O)[C@]12C#N,0
O=[N+]([O-])c1cc2c([N+](=O)[O-])cccc2o1,1
C(=NCCN=Cc1ccccc1)c1ccccc1,0
C=C(C=O)[C@@H]1[C@H]2OC(=O)C(=C)[C@@H]2C[C@@H](O)[C@@]1(C)CC,1
CCOC(=O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,1
COc1ccc(-c2oc(=O)ccc2-c2cc(OC)c(OC)c(OC)c2)cc1O,1
Clc1ccc2c(c1)nnc1c3cccnc3[nH]c21,0
CNC(=S)N(C)N,0
Cl.O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCNCCNCCNCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,1
O=C1C(=Cc2ccccc2)CN(C(=O)C(Cl)(Cl)Cl)CC1=Cc1ccccc1,1
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12,1
O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)ccc2O)nc1,1
O=C(Nc1ccc(NC(=O)c2ccncc2)cc1)c1ccncc1,0
C[C@H]1CCCC[C@]1(O)Cc1ccccc1,0
NNC(=O)c1ccc([N+](=O)[O-])cc1,0
CCOc1ccccc1NCN1C(=O)c2ccccc2C1=O,0
Cn1c(=O)c2[nH]c(COc3ccccc3)nc2n(C)c1=O,0
Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)c(Cl)c3)ccc2n1,1
COCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)C(=NC(C)=O)C1=N,1
CCOC(=O)c1ccccc1OC(=O)NNc1ccccc1,1
CC(Oc1ccccc1-c1ccccc1)C(=O)O,0
CCCCCCCC(=O)OC1CCCCC1C1CCCCC1,0
O=[N+]([O-])c1ccc(NC2CCCCC2)nc1,0
CC1=CCC[C@@]2(C)O[C@H]2C[C@H]2CC[C@](C)(O)[C@@H](CC1)C2(C)C,0
CC(=NNC(=S)NC1CCCCC1)c1ccccn1,1
CC1=CC(C)(C)NC(=S)N1c1ccccc1C,0
CCCCn1cnc2c(SC)nc(N)nc21,0
O=c1c2cc(I)ccc2nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1Cc1ccccc1,1
C[C@@H]1CC(=O)c2ccccc2[C@H]1C,0
CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,1
Cl.NCCCNC1(c2cc3ccccc3s2)CCCCC1,1
CC1(C2OCCO2)OCCO1,0
Cc1nsc(N)n1,0
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,0
N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1N,1
Oc1c2c(c(O)n1/N=C/c1cccc3ccccc13)[C@H]1C=C[C@@H]2O1,0
C=C1CC(COc2ccc3c(C)c(Cl)c(=O)oc3c2)(c2ccccc2)OC1=O,1
COC(=O)C(CCC(C(=O)OC)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O,0
CNc1nc(=O)n([C@@H]2CCCO2)cc1C,0
CCOc1ccc(O)cc1[PH](c1ccccc1)(c1ccccc1)c1ccccc1.I,1
CCOC(=O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)O[C@H]1COC(=O)NC,1
COc1ccccc1N[C@@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C)OCO3,1
O=C(N=C1C(=O)c2ccccc2C(=O)C1Cl)C(=O)c1c(O)c2ccccc2oc1=O,1
OC(CN1CCOCC1)c1ccc(Cl)cc1,0
COc1nc(=O)c2c([nH]1)N[C@]1(CC(=O)c3ccccc31)C1C(=O)c3ccccc3C1=N2,0
CCNc1nn2ccccc2c1/C=C(\C#N)C(=O)OCC,0
CC(O)C(=O)OCCOCc1ccccc1,0
C=CCOC1=C2CCC(O)C2(C)CCC1=O,0
CC(O[N+](=O)[O-])c1cccc([N+](=O)[O-])c1,0
O=S1(=O)c2ccccc2N[C@@H](c2ccccc2)[C@@H]1c1ccccc1,0
COc1ccc(Nc2cc(C)nc(N)n2)cc1,0
CC(C)(C)C(=O)OCC1C(=O)OCC1C(=O)N1Cc2cc3ccccc3nc2C1,1
O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46,0
Cn1cc2c(c1)-c1oncc1CC2,0
O=[N+]([O-])c1ccc(N2c3ccncc3Sc3ccncc32)cc1,0
NNC(=O)Cc1cccc2ccccc12,0
COc1cc(CNc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc(OC)c1OC,1
N#CC1C(=N)OC2=C(CSc3ccccc32)[C@@H]1c1ccc(Br)cc1,1
O=C1C(Br)=C(Br)C(=O)c2c(O)ccc(O)c21,1
CC(C)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,1
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,1
COc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1,0
CO[C@@H](COC(=O)N1CCN(C=O)CC1)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,1
Cc1cc(Nc2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3,1
O=C1Cc2c(-c3ccccc3)cc(-c3ccccc3)nc2-c2ccccc2N1,1
CC(C)c1ccc(C=NN=C(N)N)cc1,1
O=C(OC1CCCC1)C1(O)CCCCC1,0
O=C1c2ccccc2C(=O)N1CCCN1C(=O)c2ccccc2C1=O,0
CC(C)(C)c1cc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1,1
O=[As]c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1,1
O=CNc1ccc2c(c1)Cc1cc(NC=O)ccc1-2,0
O=C1c2c(F)c(F)c(F)c(F)c2SC2=Nc3cccc4cccc(c34)N12,1
Nc1nc(Cl)c(Cl)nc1C(=O)O,0
O=C(O)c1cccc[n+]1[O-],0
O=C(O[C@@H](/C=C/c1ccccc1)P1(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1)c1ccccc1,1
O=c1cc(-c2cccc(F)c2)[nH]c2cc3c(cc12)OCO3,1
CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1,0
O=C1C(Br)=C(Br)C(=O)c2ccccc21,1
CN(C)CCS,0
Cn1c(=O)c2[nH]c(SCCN3CCCCC3)nc2n(C)c1=S,0
COC(=O)Nc1nc2ccccc2[nH]1,1
CC(C)[Si](OC1=CCC[C@H]2NC(=O)C(Cc3ccc([N+](=O)[O-])cc3)[C@@]12C)(C(C)C)C(C)C,1
O=C(CCC(=O)Nc1nccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0
O=C1NC(=O)[C@](c2ccccc2)(c2ccc(Cl)cc2)N1,0
CCn1c(SCc2nnc(Nc3ccccc3)s2)nc2ccccc2c1=O,1
CCCC(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl,1
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,1
Nc1cc(Br)c(O)c(Br)c1,0
[O-][S+]1Nc2ccc(Br)cc2S1,1
COc1cc(C2c3cc4c(cc3C(Nc3cccc(O)c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CCOc1ccc2nc(NC(=O)CSc3nnc4n3S(=O)(=O)c3ccccc3N4c3ccccc3)sc2c1,0
O=C(Cc1ccccc1)Cc1ccccc1,0
[Br-].c1ccc(C(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
O[C@H](COc1ccccc1Cl)CN1CCN(c2ccccc2)CC1,0
Fc1ccc(C(c2ccc(F)cc2)C(Cl)(Cl)Cl)cc1,0
COC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C,0
Cc1ccc(S(=O)(=O)O)cc1.NC(=NO)NN=Cc1c2ccccc2c(Cl)c2ccccc12,1
COc1ccc(NC(=O)C2C[C@@H]3C=C[C@H]2C3)c([N+](=O)[O-])c1,0
CC(=NNC(=O)c1ccncc1)c1ccc(O)cc1O,1
C=C(CN1CCc2ccccc2C1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
Br.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1,1
O=C1CCCN1,0
OC(COc1ccccc1)CN1CCCC1,0
CCN(CC)CCNC(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1,1
CC(=O)Nc1cc(/C=C\C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1,1
COc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2C)cc(OC)c1OC,1
C=C1C(=O)O[C@@H]2C=C(C)C3=CC(=O)[C@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)O3,1
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C,1
COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c1ccccc1N=C1CC(=O)C(=O)c2ccccc21,1
CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)B(O)O,1
Cn1c(=O)c2[nH]c(CCC(=O)O)nc2n(C)c1=O,0
CCCCCCNc1nc(NCCCCCC)c2[nH]c(NCCCCCC)nc2n1,1
Nc1nc(N)sc(=S)n1,0
CCS(=O)(=O)OCCCl,0
CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OP(=O)(N5CC5)N5CC5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C,0
O=c1[nH]cnc2nn(C3OC(CO)C(O)C3O)nc12,0
CCOC(=O)CCC(N)C(=O)NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OCC.O=C(O)C(F)(F)F,1
COc1ncc(C#CC(=O)c2ccccc2OC)c(OC)n1,1
CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccccn1,1
COC(=O)C1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccc(F)cc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
O=c1nc2n(-c3cccc(Cl)c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1,1
O=C1C=C(N2CC2)C(=O)C=C1N1CC1,1
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0
CC(=O)Oc1c(CBr)cccc1C(=O)O,0
CC(=O)OC1C(=O)OC[C@@]23CC[C@@]4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C/C=C/C(=O)OCC[C@@H]1C)[C@@]3(C)[C@]21CO1,1
Cn1c2ccccc2c(=Nc2ccccc2)c2c3ccccc3[nH]c21,1
CCN(CC)CCCNc1cc(OC)c(OC)c2cccnc12,1
O=C1c2ccccc2C(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc21,1
CN(C)C1C(=O)C(C(=O)NCc2nc3c(S)ncnc3[nH]2)C(=O)C2(O)C(=O)C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,1
O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-],1
NC(=S)NC(=O)c1ccccc1,0
O=[N+]([O-])c1cc(F)cc(F)c1Nc1ccc(F)cc1,0
O=[N+]([O-])c1cc2c(ccc3ccccc32)o1,1
O=C1c2ccccc2C(=O)c2c(NCCCN3CCOCC3)ccc(NCCCN3CCOCC3)c21,1
O=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1,0
CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(=O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(O)oc3c2C)OC1(C)C.[Na+],0
Brc1cc2c(cc1C1OCCCO1)OCO2,0
CN(C)c1nc(NNC(=O)c2ccccc2)nc(N(C)C)n1,0
CC(C)N1C(=O)C=CC1=O,0
COc1ccc(C(Cl)=C(C=O)c2ccc(Cl)cc2)cc1OC,1
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)C(C)N.Cl,1
O=C(O)C1(Nc2ccccc2)CCCC1,0
COC(=O)C1C(=O)c2cc(OC)c(OC)c(OC)c2[C@H](c2ccc3c(c2)OCO3)C1C(=O)OC,1
c1ccc(CNc2ccccn2)cc1,0
Cc1ccc(S(=O)(=O)NC(=O)NCc2ccco2)cc1,0
CC(O)CCC(C)[N+](=O)[O-],0
Oc1cn(-c2ccc(Cl)cc2)nc1-c1nnc(-c2ccccc2)o1,1
CSc1nc2c(c(=O)n1C)CN(Cc1ccccc1)C(C)=N2,0
S=C(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1,0
C=C(C)OC(=O)C(C(=O)OCC)=C(C)C,0
O=C(C(Br)=Cc1ccccc1)c1ccccc1,1
c1ccc2nc(N3CCOCC3)c(N3CCCC3)nc2c1,0
CN(C)CCN=C(O)c1cc(Cl)cc2cc3ccccc3nc12.Cl,1
CCN(CC)CCC(CCN(CC)CC)(C(=O)O)c1ccccc1,0
CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3ccccc3N12,0
CCN(CC)CCn1ncc2ccc3c(c(=O)c4cccnc4n3CCN(CC)CC)c21.Cl,1
Nc1ncnc2c1nc(N)n2C1OC(CO)C(O)C1O,1
COc1cc(C)c(C2NC(=O)c3ccccc3N2)cc1C,1
Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl,0
CCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[I-],1
COCCOCCOC(=O)CBr,0
O=C(O)c1cccnc1C(=O)O,0
O=c1c2c3c(sc2n2c(=S)[nH]nc2n1Cc1ccccc1)CCCC3,0
COc1cc2c(cc1OCCCCCn1c(-c3ccco3)nc3ccccc31)N=CC1CCCN1C2=O,1
O=C(O)C1C[C@](O)(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)O1,0
S=P1(Oc2ccccc2)Nc2ccccc2N1,0
COC1=CC(c2cc3ccccc3[nH]2)=NC1=Cc1[nH]c(C)cc1C.O=C(O)C(O)C(O)C(=O)O,1
CNC1C(=O)C(C)[C@@](O)([C@@H](C[C@H](C)[C@H](O)/C=C/C=C/CNC(=O)C(C)(C)[C@H](O)/C(C)=C/C=C/C=C/Cc2cnc(C)o2)OC)[C@@]12C(=O)O[C@H]2C.CNC1C(=O)C(C)[C@@](O)([C@@H](C[C@H](C)[C@H](O)/C=C/C=C/CNC(=O)C(C)(C)[C@H](O)/C(C)=C/C=C/C=C/Cc2cnc(C)o2)OC)[C@@]12C(=O)O[C@H]2COC,1
CCCCCCCCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,0
COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3C)CC2)cc1,0
O=[N+]([O-])c1nccn1C[C@@H](O)CCN1CCOCC1,0
CC(=CC1CCC(CN2CCOCC2)C1=O)c1ccc(CC(C)C)cc1.Cl,1
CC(=O)N1CCCCCC1=O,0
COc1cc2c(C=C3C(=O)Nc4ccccc43)c(C(=O)O)[nH]c2cc1C,0
CCN(CC)CCOc1ccccc1C,0
CN(C)C(=S)/N=c1\ssc(=S)n1Cc1ccccc1,1
O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1,1
O=c1cc(-c2ccccc2)oc2ccc(OCC(=NO)c3ccccc3)cc12,1
Cc1nn(-c2ccccc2)c2c1N=c1s/c(=C\c3ccc(C(F)(F)F)cc3)c(=O)n1[C@@H](C)N2,0
Cc1ccc(OC[C@@H]2O[C@H](n3cnc4nc(Cl)nc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1,1
C[C@H]1O[C@@H](O[C@@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC(C(=O)O)[C@H](O)[C@@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,1
O=C(O)c1ccc2c(c1)CCC2,0
CC(=O)c1cccc([N+](=O)[O-])c1,0
CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,1
C#Cc1nc(N)c2ncn([C@@H]3O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3O)c2n1,1
S=C1C[C@@H](c2ccccc2)Sc2cc(Cl)ccc2N1,1
Clc1nc2nc3n(c2nc1Cl)CCC3,0
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12.Cl,1
CC(O)CN(C)C,0
CCOc1cc2c(=O)[nH]cnc2c(OCC)c1OCC,0
O[C@H]1CNc2c(ccc3ccccc23)C1,0
C(=N/C[C@H]1CC[C@H](C/N=C/c2ccco2)CC1)\c1ccco1,0
CC[N-]c1nnnn1CC.[Au+2].c1ccc([PH-](c2ccccc2)c2ccccc2)cc1,1
Nc1ccc([As](=O)(O)O)cc1,0
CC(=O)CC(=O)c1cccs1,0
Cc1[nH]c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2c1[N+](=O)[O-],1
COc1ccc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
Cc1cccc2c(C(=O)OC(C(N)=O)[C@]3(C)CO3)cccc12,1
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNC(C)c3ccccc3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1.O=S(=O)(O)O,1
O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl,0
COc1cc(C2=C(c3ccccc3)COC2=O)cc(OC)c1OC,1
COc1cc(C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,1
NC(=O)NC(=O)NC(=O)c1ccccc1,0
O=C1c2c(O)cccc2C(Br)c2cccc(O)c21,0
O=C1C(Br)CS(=O)(=O)CC1Br,0
COC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2,1
C/C=C\CSc1ncnc2[nH]cnc12,0
C=c1c(O)c(O)cc2c1=CC=C1[C@]2(C)CC[C@]2(C)[C@H]3C[C@@](C)(C(=O)OC)[C@H](O)C[C@]3(C)CC[C@@]12C,1
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.O,1
Cc1ccc(C(=O)NNC(=O)c2ccccc2)cc1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1ccc(F)cc1)CC2,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
COc1ccc(-c2cc(-c3ccc(Nc4nc(Nc5ccccc5)nc(Nc5ccc(Cl)cc5)n4)cc3)nc(N)n2)cc1,1
CC(=O)Nc1nnc2c3ccccc3n(C(C)=O)c2n1,0
Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,1
COC(=O)c1ccc([C@@H]2SCC(=O)N2NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1,0
Cl.OCCN(CCO)c1ccccc1CO,0
Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1,0
N#CN=C(N)c1ccccc1,0
CCC(CC)NCC(C)OC(=O)c1ccc([N+](=O)[O-])cc1,0
Cl.N=S(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-],1
C=C1C[C@H](c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2)OC1=O,1
O=C(O)c1cc(N2CCCCC2)nc2ccccc12,0
COC(=O)/C=C1/OC(c2ccc(Br)cc2)=C(Br)C1=O,1
O=C1CC[C@@H](c2ccccc2)O1,0
CC(Br)C(C)C(Cl)(Cl)Cl,0
S=C1C[C@H]2CCC[C@H](C2)N1,0
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O,1
COc1cc(C2CC(C)(Nc3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
CC(C)(C)N1C[C@H]1CNC(=O)C(=O)NC[C@H]1CN1C(C)(C)C,1
CC12[Se]c3ccccc3C1(C)[Se]c1ccccc12,1
COS(=O)(=O)[O-].C[n+]1c2ccccc2nc2ccccc21,1
CCCC[Sn+2]CCCC.COc1cc(C(=O)[O-])cc(OC)c1OC.COc1cc(C(=O)[O-])cc(OC)c1OC,1
Cc1cc(C)cc(NCCC#N)c1,0
C=C(CN(C)C)C(=O)c1cc(C)ccc1C.Cl,1
COc1cc(C2c3cc4c(cc3OC(NN)C2C)OCO4)cc(OC)c1O,1
CN1C(=O)N(C)P12(Cl)N(C)C(=O)N2C,0
CCN(CC)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1,1
CC(=O)Nc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1,1
CCC(c1ccc(OC)cc1)C(CC)c1ccc(O)c(CN2CCN(C)CC2)c1,1
Nc1ccccc1SC(CC(=O)c1ccccc1)c1c(Cl)cccc1Cl,1
C=CCc1ccccc1OCC(=O)O,0
CC1=CC(C)C(=O)N(C)C(C)=C1,0
NNC(=O)NC(N)=O,0
O=[N+]([O-])c1cccc2ncccc12,0
COc1ccc2cc(C3=CCC[C@@]3(C)C(=O)O)ccc2c1,0
COC(c1ccccc1)(c1ccccc1)c1ccccc1,0
CC(=O)C(C(=O)CC(C)C)C(C)C,0
CC(=O)Nc1nc(Cl)c([N+](=O)[O-])c(SCc2ccccc2)n1,0
CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)cc1,0
CCOC(=O)CC(C)=NO,0
CCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cn1,0
Cn1c(=O)c2[nH]c(CC(=O)O)nc2n(C)c1=O,0
O=C(O)CCCCC(=O)O,0
CCCC(CCC)(C(N)=O)C(=O)O,0
COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1,1
O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1,0
NC(=O)C=CC(=O)c1c(Cl)cccc1Cl,1
CCOC(=O)CCCCCN,0
CC1(C)OC(=C(C#N)C#N)C(C#N)=C1/C=C/c1ccncc1,1
CCCCN(C(=O)CC)c1ccccc1,0
c1ccc(-c2ccc(-c3ccc(C4=NCCN4)cc3)o2)cc1,1
N#CC1c2ccccc2-c2ccccc2N1C(=O)c1ccccc1,1
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2cccc(Cl)c2)cc1.Cl,1
NC(=O)C1(Nc2ccccc2)CCNCC1,0
CC1C(=O)CC2(C(C)C)CC12,0
O=C(C(=O)c1cc(Br)ccc1O)c1cc(Br)ccc1O,1
Cn1c(=O)n(C)c2ccccc21,0
CC(=O)ON(C(C)=O)c1ccc(C(N)=O)cc1,0
S=C(NN=Cc1ccccn1)N1CCCCC1,1
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1ccccc1,1
Cc1sc2nc(-c3ccc([N+](=O)[O-])cc3)c(/C=N/N=C(N)N)n2c1C.Cl,1
CCN1/C(=C/C#C/C(C)=C\c2sc3ccc(Cl)cc3[n+]2CC)Sc2ccc(Cl)cc21.[I-],1
O=C(O)C1CCC(c2ccccc2)=N1,0
OCCN1CCN(CCO)C1=S,0
Cc1cc(S(=O)(=O)O)c(N)cc1N,0
NC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1,0
CCc1s/c(=N\N=C(\C)c2cc3cc(Cl)ccc3o2)n(-c2ccccc2)c1O,0
COc1ccc2c(c1)CCC[C@]2(O)C#C[C@]1(O)CCCc2cc(OC)ccc21,0
CC=CC=C(CC)C(=O)OCC,0
O=C1C=C(OCCCCl)C(=O)c2c(O)ccc(O)c21,1
COc1ccccc1CC(=O)O,0
Cc1cccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)c1,0
C[C@H](CSc1n[nH]c(=S)s1)c1ccccc1,0
CN1C(=O)/C(=C/c2c(Cl)n(C)c3ccccc23)c2ccccc21,1
O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccccc2)ccc1Cl,1
O=C(O)c1cccc(S(=O)(=O)O)c1,0
CCC1(OP(=O)(O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,1
O=C(O)Cc1ccc(I)cc1,0
Nc1nc(-c2ccccc2N=NN2CCCC2)nc2ccccc12,1
O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1,1
CSc1nc(=O)c(Nc2cccc(Cl)c2)c(O)[nH]1,0
COc1ccc(C=C[N+](=O)[O-])cc1OC,1
CC(C)CCCCCOP(=O)(O)O,0
C=C1CC[C@@H]2[C@@]3(C)CO[C@H](c4ccccc4)O[C@@H]3CC[C@@]2(C)[C@H]1/C=C/C1=CCOC1=O,1
CCCCCSC1CCCC1,0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,1
O=C(CCCCN1CCN(CCCCC(=O)Nc2ccccc2C#C/C=C/C#Cc2ccccc2C(F)(F)F)CC1)Nc1ccccc1C#C/C=C/C#Cc1ccccc1C(F)(F)F,1
CCN(CC)CCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,1
CC=C(C)C1(CCC)C(=O)NC(=S)NC1=O,0
CC(C)CN1CC(C)C(=O)N(c2ccccc2)C1=O,0
CC(=O)NC(Cc1ccccc1)C(=O)O,0
CNCCNc1c2c(c(NCCNC)c3c(CN(C)C)c[nH]c13)C(=O)c1ccccc1C2=O,1
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,0
CC(=O)Oc1ccc(C)cc1,0
CC(=NNC(=S)Nc1ccccc1)c1ccccn1,1
C[C@H]1[C@@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,1
O=C(O)/C=C\C(=O)Nc1cccc2ccccc12,0
O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccncc1,0
CC(O)COC(C)C,0
CCOC(=O)CCc1cccc(CCC(=O)OCC)n1,0
Cl.c1cc(-c2ccc(-c3ccc(C4=N[C@H]5CCCC[C@@H]5N4)cc3)o2)ccc1C1=N[C@H]2CCCC[C@@H]2N1,1
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC=C(C)C,1
O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1,0
CCCc1cn2c(/C=N/N=C(N)N)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1.Cl,1
Cc1ccc(O)c(C(=O)c2cccc(Cl)c2)c1,0
COc1ccccc1[As]=[As]c1ccccc1OC,1
CCCCCCCCCCOC(=O)CCN1CC1,0
O=C1CCN(Cl)C(=O)N1Cl,0
Cc1ccc(Cl)cc1N,0
CC(=O)Nc1ncc([N+](=O)[O-])s1,0
C=CCOc1ccnc(OCC=C)n1,0
N#CC(C#N)[C@@H]1CCC=C(Sc2ccccc2)[C@H]1Sc1ccccc1,1
COc1cc(/C=C/C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2,1
CC(=NNC(=S)N1CCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCC2)n1,1
NNC(=O)c1nnsc1-c1csnn1,0
O=C1C=CC(=O)O1,0
CCN(CC)CC(CN(CC)CC)OC(=O)c1ccc(N)cc1,0
Cc1nc(C)c(C(=O)O)cc1C(=O)O,0
COC[C@@H](O)CN1CCN(c2ccccc2)CC1,0
CC(=O)C1CC[C@@H]2C3=C(CC[C@H]2C1)CC(=O)CC3,0
CCOc1ccc2c(ccc(/C=C/c3cc(C)c4cccnc4c3O)[n+]2C)c1.[I-],1
O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+],0
CCCc1nc(Cl)nc(Cl)c1Cl,1
CCOC(=O)c1c(C)n2c(=O)cc(C)c3c(O)c(O)cc1c32,1
COc1cc2c3c(n(CCCNCCNCCCN)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
Nc1cccc(C=Cc2ccncc2)c1,0
CCCCCC(C)NCC(C)(C)O,0
O=C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1
COc1ccc2c(c1)N[P@](=S)(Oc1ccccc1)N2,0
Cc1cc(C)c(CC(C)C)c(C)c1,0
COc1ccc2c(c1)C(=O)C(=Cc1ccc(O)cc1)O2,1
O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1,0
C=C(C)COC(=O)c1cccc(C(=O)OCC2(C)CO2)c1,0
CC(C)NC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C,1
Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)C2,1
CCc1ccc(CCN2C(=O)c3ccccc3C2=O)nc1,0
COc1ccc2[nH]c(-c3cccc(N(C)C)c3)cc(=O)c2c1,1
CC(=O)Oc1c(O)c(C(C)C)cc2c1=CC1(C)OC(=O)CC(C)(C)C1=CC=2,1
C=C(C)C1CC=C(C)C(OCCN(CC)CC)C1,0
COC(=O)c1cc2oc(/C=C3/N=C(c4ccccc4)OC3=O)cc2n1C,0
CCCc1nnn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1CCC,0
CNc1ccc(Nc2ccc(S(=O)(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O,0
CCC1(CCO)C(=O)NC(=S)NC1=O,0
CC(=O)OC1C(C)OC(OC2CC(O)(C(C)=O)C=C3C(=O)c4c(c(O)c5ccccc5c4O)C(=O)C32)C(F)C1OC(C)=O,1
Cc1ccc2c(ccc(/C=C/c3cc(C)c4cccnc4c3O)[n+]2C)c1.[I-],1
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC[C@@]2(Br)C1,1
O=C(CNC(=O)OCc1ccccc1)NC(Cc1c[nH]cn1)C(=O)O,0
C=CCC(O)c1ccc2c(c1)OCO2,0
O=C(COc1ccccc1)NCCO,0
COc1cccc(/C=N/NC(=S)N/N=C/c2cccc(OC)c2OC)c1OC,0
CC(=O)Nc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1,0
Fc1ccc(C(c2ccc(F)cc2)C(Cl)Cl)cc1,0
O=C(O)c1cncc(Br)c1,0
CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CO)CC(C)C)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2OC(C)=O)C1O,1
CN(C)c1ccccc1C(=O)N/N=C/c1ccc(F)cc1,0
CCOC(OCC)c1[nH]c(N)nc(=O)c1CCCCc1ccccc1,0
NC(=S)NN=Cc1nccc2c(C(F)(F)F)cccc12,1
CCCCCCCCCCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,0
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(NCc4ccco4)ncnc32)[C@@H](O)[C@H]1O,1
C=CCNC(=S)Nc1c(N)n(C)c(=O)n(C)c1=O,0
Clc1ccc(Br)c(-c2nc3ccccc3[nH]2)c1,0
CCC(=N)NS(=O)(=O)c1ccc(N)cc1,0
C=C1C[C@](OC)(C(OC)C(=O)N[C@H]2OCO[C@H]3[C@H]2O[C@H](C[C@@H](COC)OC)C(C)(C)[C@H]3OC)O[C@H](C)[C@@H]1C,1
O=C(O)C(Cc1ccccc1)n1c(O)c2c(c1O)C1CCC2C1,0
O=C(c1ccccc1)c1ccc(O)cc1O,0
Nc1nc(=O)c(N=O)c(N)[nH]1,0
C=CCOc1c(C)cc(C)cc1C,0
CCOC(=O)C(O)C(C#N)c1ccccc1,0
O=c1[nH]c(O)c2c(c1=Cc1ccccc1)=CCCC2,1
CN(C)S(=O)(=O)c1ccc(N)cc1,0
NNc1ccc(C(=O)O)cc1,0
CC[C@H](NC(N)=O)[C@@H](CC)NC(N)=O,0
BrCC(Br)CBr,0
O=c1cc(-c2cccc(OC(F)(F)F)c2)[nH]c2ccc(N3CCCC3)cc12,1
COc1ccc2nc(C(=O)c3ccccc3)c(C)cc2c1,1
O=c1[nH]cnc2c1ncn2[C@H]1OC[C@H](O)[C@H](O)[C@@H]1O,0
N=C(N)c1ccc(-c2ccc(-c3ccccc3)o2)cc1,1
C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=O.[I-],1
CC(C)CC(NC=O)C(=O)O.COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43,0
COc1ccc(C(=NN)C(=O)c2ccccc2)cc1.COc1ccc(C(=O)C(=NN)c2ccccc2)cc1,0
CCN(CC)CCOC(=O)c1ccc(C)c(C)c1,0
C=C(CN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
OCCSCc1cc2c(O)c(c1)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)C2,1
Nc1ccc(-c2nc3nc(N)nc(N)c3nc2-c2ccc(N)cc2)cc1,0
COc1cc(C(=O)NN=Cc2ccc(N(C)C)cc2)cc(OC)c1OC,1
CCCN(CCC)C(=O)C(c1ccccc1)C1(O)CCCCC1,0
c1ccc([As]=[As]c2ccccc2)cc1,1
OCC[n+]1ccccc1.S=c1[n-]c2ccccc2s1,0
COc1cc([C@@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC,1
CC(=O)c1ccc(N=CC2C(=O)c3ccccc3O[C@H]2O)cc1,0
C(=N/N1CCCCCC1)\c1cccc2ccccc12,0
O=[As@@](O)(c1ccccc1)c1ccc(O)cc1,0
Cc1ccc2cccc(OC(=O)c3cc4c(cc3Cl)Sc3nccn3S4(=O)=O)c2n1,1
O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
CCCn1c(=N)c(=C(N)O)s/c1=C(/C#N)C(=O)OCC,0
Cc1nc2[nH]c(=O)n(O)c(=O)c2s1,0
CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](CNS(=O)(=O)CCC[n+]1cccc2ccccc21)COC.[I-],1
CN(C)c1ccc(/C=c2/c3ccccc3n3c2c2ccccc2[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F,1
CCN(CC)c1c(C(=O)/C=C/c2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O,1
COc1cccc(-c2cc(=O)c3cccnc3[nH]2)c1,1
O=C1N=C(Nc2nc(-c3csc(N=C4NC(=O)/C(=C\c5ccccc5)S4)n3)cs2)S/C1=C/c1ccccc1,1
CCCCOC(=O)N1CCN(c2ccccc2)CC1,0
CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CC7CN(CCc8c6[nH]c6ccccc86)CC6CCCCC67)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32.COS(=O)(=O)O,1
Cc1nc(NC(=O)NC2CCCCC2)sc1C(=O)NN,0
CO/N=C(/C)c1cccc(Nc2nc3ccc(Cl)cc3c3[nH]c4ccccc4c23)c1,1
O=C(O)c1ccccc1O.Oc1cccc2cccnc12,1
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(-c2ccccc2)n1,0
CC1C=CN(N(C)C)C2=C1C(=O)c1cnccc1C2=O,1
O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccc(C(=O)Nc4cccc5c4C(=O)c4cccc(NC(=O)c6ccccc6)c4C5=O)cc3)c1C2=O)c1ccccc1,0
COc1ccc(C(=O)c2c(C)oc3ccccc3c2=O)cc1,0
N#C[C@H](NNC(=O)c1ccccc1O)c1ccccc1,1
COc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC,1
CC(C)(C)c1cccc(C(C)(C)C)c1O,0
O=c1cc(-c2cccc(Cl)c2)[nH]c2ncccc12,1
C[C@@H]1C[C@H](Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1,1
CC(=O)c1ccc2c(c1)[nH]c1ccccc12,0
CN(C)CCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
COC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C,0
COc1cc2c(cc1OCCCn1c(-c3ccccn3)nc3ccccc31)N=CC1CCCN1C2=O,1
C=CS(=O)(=O)O,0
c1ccc(CCc2ccccn2)cc1,0
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccccn2)nc1,1
COC(=O)C(F)C(Br)C(=O)OC,1
O=C1CSc2ccccc2N1,0
O=C(CCN1CCCCC1)c1ccccc1,0
CC1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)[C@]3(C)C(=O)C=C[C@]213,0
Cc1ccc(S(=O)(=O)O)cc1.NCC(=O)NCC(=O)OCc1ccccc1,0
O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0
CCOC(=O)c1sc(NC(=O)COc2cccc(/C=C3\Cc4ccc(Cl)cc4C3=O)c2)nc1C,0
CCN(CC)c1ccc(/N=N/c2ccc(-c3nc4cccn(C)c-4n3)cc2)cc1.I,1
O=C1C(=Cc2cccnc2)SC(=S)N1Cc1ccco1,1
CCCCCC(C)CO,0
CC(C)(O)CNC1CCCCC1,0
N#CCCN(C1=[SH][Pb]2(S1)SC(N(CCC#N)C1CCCCC1)=[SH]2)C1CCCCC1,1
NC(=O)OCCCCl,0
CCOC(=O)c1ccc(C=O)cc1,0
NC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1,1
CSC1C(=O)c2ccccc2/C(=N/Nc2nc3ccccc3s2)[C@@H]1C,1
Nc1nc(=S)[nH]c(=S)[nH]1,0
Nc1ccc2c(c1)N(C(=O)CCCC(=O)N1C[C@@H](CCl)c3ccc(N)cc31)C[C@H]2CCl,1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1N,0
Cc1cc(OC(=O)N(C)C)c(Cl)cc1Cl,0
Cc1cccc(C)c1CCl,0
CC(C)CC[C@H]1Cc2c(c(O)n(-c3ccccc3)c2O)-c2[nH]c3ccccc3c21,1
O=C1/C(=C/c2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)C/C1=C\c1ccccc1,1
[O-][N+](CCO)(CCO)Cc1ccccc1,0
COc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,1
C[C@@H]1CN(C(=O)C(O)(c2ccccc2)c2ccccc2)[C@@H](C)CN1c1ccccn1,0
COc1ccccc1P(c1ccccc1OC)c1ccccc1OC,0
O=[N+]([O-])c1ccc(N2CCCCC2)nc1,0
Br.CN(C)CCNc1nc(-c2ccc3ccccc3c2)nc2[nH]cnc12,1
OCC1OC(C(N=Nc2ccccc2)=NNc2ccccc2)C(O)C1O,0
Cc1ccc2c(c1)C(=C(C#N)C#N)CCN2,0
CCOC(OCC)C(=O)N1CCCCC1,0
CCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1,0
CSC1=Nc2c(c(C)c(-c3ccccc3)n2CCCN2CCCCC2)C2=NC(=O)C[C@H](C)N12,1
CC1(C)OC2C(=O)C(COC(=O)c3ccccc3)O[C@@H]2O1,0
O=C1N[C@@H]2C(=C[C@H](O)[C@H](O)[C@@H]2O)c2cc3c(cc21)OCO3,1
COC(=O)c1ccc(-c2nc3cc(F)c(F)cc3nc2C#N)cc1,1
N=C(N)N=C(N)Nc1ccccc1-c1ccccc1,0
CO/N=C(\C)c1cccc(Nc2c3ccccc3nc3occc23)c1,1
NS(=O)(=O)c1cc(=O)[nH]c(=O)[nH]1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1.CCS(=O)(=O)O,1
Cc1ccc(O)cc1,0
Cl.OCCN(CCO)[C@@H](Cc1ccccc1)c1ccccc1,0
COc1cc2c(c(OC)c1OC)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2)cc1,0
COc1cc2c(cc1OCCCOC1=C=C=C(c3ccc4c(c3)c3cc(-c5ccc(OCCCOc6cc7c(cc6OC)C(=O)N6CCCC6C=N7)cc5)ccc3n4S(=O)(=O)c3ccc(C)cc3)C=C1)N=CC1CCCN1C2=O,1
CN(C)P(=O)(Oc1ccccc1)N(C)C,0
C=CCC(C(C)=O)C(=O)OCC,0
COc1ccc([C@H]2[C@]3(C#N)C(=N)N=C(C(C#N)C#N)[C@]23C#N)cc1OC,0
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c12.[Na+],0
Cc1cc(=O)oc2ccc(OC/C=C3\CCC(=O)O3)cc12,1
NC(=S)NN=Cc1ccc(N)cn1,1
O=C1C=C/C(=N/c2cccc3c2C(=O)c2ccccc2-3)O1,0
Cc1ccc(C=C2CCCC(CN(C)C)C2=O)cc1.Cl,1
Cc1ccc(/C(=C/C=C(/C#N)C(N)=O)Sc2ncnn2C)cc1,1
O=S(=O)(Nc1ccccc1)C1CCCCC1,0
c1ccc(C2NCCNC2c2ccccc2)cc1,0
CCCCCCCCCCCC[C@@H]1N=C(N)N[C@]2(CCCO2)C1C(=O)OC,1
S=C1NCCS1,0
Nc1ccncc1N,0
CCC(=O)c1cccc(-c2ccccc2)c1CC,0
CC(=O)[O-].CC(=O)[O-].[Fe+3].[OH-],0
Cl.OC12C=C(c3nccc4c3[nH]c3ccccc34)C3CCN(CCCCC=CCC1)CC31CC3C=CCCCCN3C21,1
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3[nH]cnc23)C(O)C1O,1
CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@](C)(C(C)(C)C)N2,1
CC(C)OC1C=CCCC1,0
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1csc(-c2ccccc2)n1,0
O=c1[nH]c(-c2ccc(Cl)cc2)cn1-c1ccc(-n2cc(-c3ccc(Cl)cc3)[nH]c2=O)cc1,0
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)cc1,1
Cl.c1ccc(CSCCNCCN(CCNCCSCc2ccccc2)CCNCCSCc2ccccc2)cc1,1
O[C@]1(c2ccccc2)C[C@H](c2ccccc2)c2ccccc2O1,0
N#CCNC(=O)OCc1ccccc1,0
CNc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12.Cl,1
COc1cc2c(cc1OC(C)=O)CCCCC2=O,0
C[S@+]([O-])c1cc(=O)c2ccccc2s1,1
Cc1nc2nc(C)c(C)nc2nc1C,0
O=C(NCCO)c1ccc(O)cc1O,0
Oc1ccccc1C=Nc1ccccn1,0
Cc1cc(Cc2cc(C)c(C)c(C)c2C)c(C)c(C)c1C,0
O=C(O)Cn1cnc2c(=S)[nH]cnc21,0
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O,1
O[C@H]1[C@H](O)[C@H](n2c3ccc(Br)cc3c3ccc4c5ccccc5[nH]c4c32)OC[C@H]1O,1
Nc1cc2c(cc1Br)-c1c(C(=O)O)cccc1[C@@H]2O,0
CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O,1
c1ccc2c(CNCCCCCCNCc3cccc4ccccc34)cccc2c1,1
O=NC(=O)C(Cl)CC(O)=NO,0
Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C,0
COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(C)=O)cc1.Cl,1
O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,0
Cc1ccc(-c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cn1,1
COc1cc(-n2c(C)nc3ncn(-c4ccccc4)c3c2=O)cc(OC)c1OC,0
COc1cc(-c2nc(-c3ccccc3)c[nH]2)ccc1O,0
O=C(CSc1nc(=O)c(C=Cc2ccco2)n[nH]1)c1ccc(Cl)cc1,0
COc1ccc(CC(=O)OCCCl)cc1,0
CC(C)N(CCCl)N=Nc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1,0
O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12,0
NN=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1,0
O=C(c1ccccc1)N1CCN(C(=S)N(C(=O)c2ccccc2)c2ccccc2)C1=S,1
CC(=O)O[C@H](C)c1cc2c(s1)C(=O)c1c([C@@H](C)OC(C)=O)csc1C2=O,1
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1.Cl,1
O=C(NCCCCC(Cl)(Cl)C(=O)O)c1ccccc1,0
CC(C)OP(=O)(OC(C)C)[C@@H](C(C)C)N(C)C(=N)N=C1NC(C(F)(F)F)(C(F)(F)F)N=C(C(C(F)(F)F)C(F)(F)F)O1,1
C[C@@]1(C2CCCC2)NC(=O)NC1=O,0
CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1cccc([N+](=O)[O-])c1,1
Nc1cccc(=O)[nH]1,0
CCN(CC)c1ccc(C2NC(=O)c3ccccc3N2)cc1,1
CC(=O)OC[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0
O=C(/C=C/C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0
COc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1,1
COc1ccc(C(=O)Cn2c(C(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1,1
Cl.Cl.Cl.Cl.NC[Si]1(CN)CCCC1.[Pt+6],1
CCC[C@H]1O[P@@](N)(=O)OC[C@@H]1CC,0
O=C1NC(=O)c2c1cc1ccccc1c2-c1ccccc1,0
CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3C[C@]4(CC[C@@]32C)OO[C@]2(CC[C@@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@H]5[C@@H]3C[C@H](OC(C)=O)[C@@]3(C)[C@H]5CC[C@H]3[C@H](C)CCC(N)=O)C2)OO4)[C@@H]2CC[C@@H]([C@H](C)CCC(N)=O)[C@@]12C,1
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cnc5ccccc5c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
OCCCN1CCN(c2ccccc2Cl)CC1,0
COc1cccc(C=C2SC(=S)NC2=O)c1,0
COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
O=C1CS[C@@H](c2cccc(O)c2)N1c1nnc(Cn2cnnc2)o1,0
[I-][Sb+3]12([S]=C(N3CCOCC3)[S-]1)[S]=C(N1CCOCC1)[S-][Sb+3]1([I-])([S]=C(N3CCOCC3)[S-]1)[I-]2,1
CCc1c(Nc2ccccc2Cl)[nH]c(N)nc1=O,0
CC(=O)OC[C@H]1O[C@H](O[C@@H]2C[C@H]3C(C)(C)[C@H](OC(C)=O)CC[C@]3(C)[C@H]3CC[C@@]45C[C@H](O)C[C@H](C)[C@@H]4CC=C5[C@@]32C)[C@@H](O)[C@@H](O)[C@H]1O,1
Nc1nc(=O)c(N)c(N)[nH]1,0
COc1ccc2c(c1)/C(=C\c1ccncc1)C(=O)N2,1
Sc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1,0
CCOC(CNCc1ccncc1)OCC,0
CCC(=O)C(=O)c1ccccc1,0
Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
O=C(c1ccccc1)c1cccc2ccccc12,0
O=C1C[C@@]23c4ccccc4N4C(=O)C[C@@H]5OCC=C6CN1[C@H]2C[C@@H]6[C@@H]5[C@H]43,0
N#Cc1cccc[n+]1Cc1ccccc1.[Br-],0
O=S(=O)(OCc1ccc2c(c1)OCO2)c1ccccc1,0
Br.C=C[C@@H]1CN2CC[C@@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,0
O=S1(=O)CCOC1,0
CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@]2(O)C=CC(=O)C3C(=O)N(c4ccccc4)C(=O)[C@]132,1
CCC(O)C1CCCCC1,0
CCCCS(=O)(=O)NC(=O)Nc1ccccc1,0
Cc1cccc(C#N)c1,0
COc1ccc(/N=C2/C=CC(=O)O2)cc1,0
O=C(CCl)N1c2ccccc2Oc2ccc3ccccc3c21,1
O=C1N=c2ccc(Cl)cc2=C1c1[nH]c2ccccc2c1O,1
C=CCc1cccc(CC=C)c1O,0
C=CCOc1ccccc1C,0
COc1cc2c(cc1OCCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,1
O=C(OCCN1CCCC1)C(O)(c1ccccc1)c1ccccc1,0
Cc1ccccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1,0
c1ccc2c(CNCCCCCCCCCCCCNCc3cccc4ccccc34)cccc2c1,1
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)cc1,1
Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1O,0
Nc1ccc(Br)cc1C(F)(F)F,0
CN(C)c1ccc2nc3ccc(=N)cc-3sc2c1,1
CCC(=O)Cc1ccccn1,0
O=c1cc(/N=N/c2ccc(Cl)cc2)[nH]c(=O)[nH]1,1
Nc1ncnc(Nc2ccc(S(=O)(=O)O)cc2)n1,0
Oc1cc(Br)cc2cc(Cl)cnc12,1
Cn1cnc2c(=S)[nH]c(N)nc21,0
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,1
CCN(CC)CCCN=c1ccc2ncn3c4ccc(O)cc4c(O)c1c23.Cl,1
CCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1,0
COc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1OC,0
O=C(O)c1ccccc1/C=N/N1CCCCCC1,0
COc1ccc(C2=CCCC2)c(OC)c1,0
CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C,1
Cl[Hg]c1ccc2ccccc2c1,1
Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(Cl)cc2)c(N2CCOCC2)c1=O,1
Cc1ccc(S(=O)(=O)N/N=C/C(=C/c2ccc(Cl)cc2)CC(/C=N/NS(=O)(=O)c2ccc(C)cc2)=C\c2ccc(Cl)cc2)cc1,1
COC(=O)CN(C(C)=O)c1ccccc1C(=O)OC,0
Cc1ccc[nH]c1=O,0
O=C(c1ccc(OP(=O)(N2CC2)N2CC2)cc1)N1CC1,0
Cn1c2c(Cl)c(Cl)ccc2c2c(C#N)c[nH]c(=O)c21,0
Cc1ncc(CO)c(CO)c1O.Cl,0
CS(=O)(=O)/C(C#N)=C/c1c[nH]c2ccccc12,0
COc1cc2c(c(NC(C)=O)c1)N(C(C)=O)CCC2,0
C1CSCC2(COC2)CS1,0
O=[N+]([O-])c1cccc(C(F)(F)F)c1,0
CCN(CC)c1ccc(N=Nc2ccc(-c3nc4cccn(C)c-4n3)cc2)cc1.I,1
Cc1ccc(C=C2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1,1
N#CC(NNC(=O)c1ccccc1O)c1c(O)ccc2ccccc12,1
CC(CO)C1CCCCC1,0
Cc1cccc(C)c1NC(=S)N=CC(C(N)=O)C(N)=O,0
COc1ccc([C@H]2c3cc4c(c(OC)c3C[C@@H]3OCC(=O)C23)OCO4)cc1OC,1
Nc1nc2c(ccc3ccccc32)s1,0
CCCn1c(N)c(C(N)=O)sc1=S,0
C[Si](C)(C)C1=C([Si](C)(C)C)C(Cl)(Cl)C1=O,1
CCCCC1(CCC)C(=O)NC(=S)NC1=O,0
CC(=NNc1nc2ccccc2[nH]1)c1ccncn1,1
COc1nc(N)c(CNCc2ccccc2)c(=O)n1C,0
CCOC(=O)C(C#N)(C(C)CC)C(C)CC,0
N#Cc1c(-c2ccccc2)[nH]c(=S)n(N=O)c1=O,0
O=P(O)(O)Cc1c(Cl)c(Cl)c(CP(=O)(O)O)c(Cl)c1Cl,0
Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,1
COc1ccccc1C[C@@H]1OC2(C=CC(=O)C=C2)O[C@H]1Cc1ccccc1OC,1
CCOC(=O)c1c(C)oc(=O)c(CC)c1O,0
CCCCCCCC(=O)N1CCOCC1,0
CCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0
CC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,1
Clc1ccc(SCN2CCCCC2)cc1,0
O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1,0
CCN(CC)CCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(NCCN(CC)CC)c12,1
C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1,0
O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)CCCc1ccccc1)CCCc1ccccc1)C(F)(F)F,1
C1CCC(NC2CCCC2)CC1,0
CCN(CC)CCCNc1cc(OC)c(OC)c2cccnc12.I,1
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccc4ccccc4c3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
O=S(=O)(O)c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1.[Na+],0
NC(=S)CCNC(=O)c1ccccc1,0
CCOC(=O)c1ccc(N[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)C3C(=O)OC[C@@H]32)OCO4)cc1O,1
O=C(O)CNc1ccc(S(=O)(=O)c2ccc(NCC(=O)O)cc2)cc1,0
Sc1ccc(Cl)cc1,0
CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\C(=O)O,0
CCCCCC/C=C\CCCCCCCCCc1c(O)c(OC)cc(O)c1CN(C)C.Cl,1
N=c1c2ccccc2nc2n1CCCCC2,0
c1ccc2c(c1)-c1cccc3cccc-2c13,0
Cn1c(=O)c2[nH]c([N+](=O)[O-])nc2n(C)c1=O,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1O,1
COc1cc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
CCN1c2ccccc2C(Cl)(c2ccc(N(C)C)cc2)c2ccccc21.Cl,1
Cc1c2c(nn1C(=O)c1nn(-c3ccc(Cl)cc3)cc1O)-c1ccccc1CC2,1
CCN1CC[C@](O)(/C=C/c2cccc(C)c2)C(C(=O)/C=C/c2cccc(C)c2)C1.Cl,1
COc1ccc(OC)c2c1C(=O)C(Cl)=C(Cl)C2=O,1
COc1ccc2nc3cccc([N+](=O)[O-])c3c(N[C@@H](C)CN(C)C)c2c1,1
CN(C)C(=S)Nc1ccccc1,0
COc1ccc(C(=O)c2ccccc2)c(O)c1,0
O=C(O)C#Cc1ccc(Cl)cc1Cl,0
CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C,0
COc1ccc(C=C(C)[N+](=O)[O-])cc1OC,1
O=C1NCCCC1(c1ccccc1)c1ccccc1,0
COc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC,0
CCc1c2ccc(N(S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2nc2c1c(=O)n1c3ccccc3c3cc(C(=O)OC)nc2c31,0
CC(C)C(=O)OCC=Cc1ccccc1,0
Cc1ccc(-c2c(C#N)c(N)nc3c2CCCC3C)cc1,0
CCNc1nc(=O)c2cnn(C)c2[nH]1,0
Cn1c(=O)c2[nH]c(=S)n(C)c2n(C)c1=O,0
O=C(O)c1ccccc1C(=O)OCC1CCC(=NO)CC1,0
CCN(CC)CCCNc1cc(OC)cc2nc3cc(Cl)ccc3nc12.Cl,1
CC(C)(C)OC(=O)N(CCCCNCc1ccc2ccccc2c1)CCCNCc1ccc2ccccc2c1,1
O=Cc1cc2c(s1)C(=O)c1sccc1C2=O,1
CC[C@@H]1CSC(/C=C/[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)=N1,1
CCCn1cnc2c(SCc3ccccn3)nc(N)nc21,0
CC(=NNC(=S)N(C)C)c1nc2cccnc2[nH]1,1
CCOC(=O)c1c(-c2ccccc2)n2c(=O)cc(C)c3c(O)c(O)cc1c32,1
COC(=O)CC1=CC[C@@H](n2cc(F)c(N)nc2=O)O1,0
COc1ccc2nc3ccc(OC)cc3c([S@+]([O-])CCCl)c2c1,1
CC1=C(Br)C(=O)c2c(O)ccc(O)c2C1=O,1
CC[Si](CC)(CN)CN.Cl.Cl.Cl.Cl.[Pt+6],1
CC1=CC(=O)N(c2cccc3c(N4C(=O)C=C(C)C4=O)cccc23)C1=O,1
CNC(=O)Nc1ccccc1C(=O)NN,0
CC(=O)Nc1ccc(C=CC(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1,1
Cc1c(Cl)cccc1NC=O,0
CCCCCCCCCCCCCCCCCCOC(=O)CCl,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)cc1.CCS(=O)(=O)O,1
CC(C)Cc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CN(c1ccccc1)S(=O)(=O)CS(=O)(=O)N(C)c1ccccc1,0
O=[N+]([O-])c1cccc2c[nH]nc12,0
Cc1ccc(NC(=O)N(O)[C@H]2CCCC[C@H]2C#N)cc1,0
CN.CNC(=O)c1n[nH]c(=S)[nH]c1=O,0
CCCCn1c2c(n(CCCC)c1=S)-c1c(n(CCCC)c(=S)n1CCCC)SSc1c(n(CCCC)c(=S)n1CCCC)-c1c(n(CCCC)c(=S)n1CCCC)SSc1c(n(CCCC)c(=S)n1CCCC)-c1c(n(CCCC)c(=S)n1CCCC)SS2,1
S=c1cc[nH]cn1,0
CS(=O)(=O)c1cnccn1,0
CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(-c3ccccc3)cc2)n(C)c1C,1
NNC(=O)Cc1cccc2ccc(Cl)cc12,0
C=C(CN(C)C)C(=O)c1ccc(Oc2ccccc2)cc1.Cl,1
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCN(CCO)CCO)c12,1
CCOC(=O)CCC(NC(=O)c1ccccc1NC)C(=O)OCC,0
O=C1C2=C(C(=O)c3ccccc31)[C@](O)(S(=O)(=O)O)[C@](O)(S(=O)(=O)O)[C@H]1N=CC=CC21.[Na+],1
Clc1ccc(-c2cc(-c3cc4cc(Br)ccc4nc3Cl)on2)cc1,1
NC(=O)NC(=O)c1nccnc1C(=O)O,0
OCC[C@@H]1CO[C@H](c2ccccc2)O1,0
COc1cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC,1
O=C(Nc1ccc(Cl)cc1)Sc1nnc2c(n1)[nH]c1ccccc12,0
CCC(=O)c1ccc(OCc2ccccc2)cc1,0
CC(CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C,1
CCC1CC(=O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1(C#N)C(=O)OC(C)(C)C,1
CC1(C)Oc2ccccc2O1,0
CCCN(CCC)CCCOC(=O)c1ccc(N)cc1,0
Cc1cccc(O)c1,0
CC(=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1cccc(c1-3)[C@@H]1O[C@H]21,1
CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1c1ccc(OC)cc1,0
O=C(C(=CN1CCN(C(=O)c2ccco2)C1=S)C(=O)c1ccccc1)c1ccccc1,1
COc1ccc([C@@H]2C(C(=O)O)[C@H]3C=C[C@@H]2C3)cc1,0
Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2ccc(Cl)cc2)cc1,1
CCCCCCCCCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1.Cl,1
CC(=NO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,0
Cl.O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCNCCNCCNCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O,1
O[C@H](CSc1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1,0
CC(C)CSc1ncnc2[nH]cnc12,0
O=C(Nc1nn(-c2ccc(F)cc2F)nc1-c1ccccc1)c1ccccc1,0
Cn1c(=O)c2[nH]c(CCCc3nc4ccccc4[nH]3)nc2n(C)c1=O,0
CC(=NNC(=S)N(C)CCN(C)C(=S)NN=C(C)c1ccccn1)c1ccccn1,1
CCCNC(=O)c1cccc([N+](=O)[O-])c1,0
O=C1OC(=O)c2nc3ccccc3nc21,0
O=C1C=CC(=O)N1c1ccc(/N=N/c2ccccc2)cc1,0
Nc1nccc(SCc2ccccc2)n1,0
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])s4)c3nc12.Cl,1
CC1(C)C=C(N2CCCC2)CC(=O)C1,0
CCOc1ccccc1/C=N/NC(=O)c1cccc2ccccc12,0
COc1ccc(NC(=O)CSC(N)=O)cc1,0
C[C@H]1OC(=O)c2cc3ccccc3nc21,0
CCOC(=O)C1(C(=O)OCC)NC(=O)CC1C(C)C,0
O=C(NCCCl)Oc1ccc2ccccc2c1,0
Cl.ClCCN1[C@@H](CCl)CC[C@@H]1c1ccccc1,0
O=C1c2ccccc2C(=O)c2c1ccc1conc21,1
Cc1ccc(OC[C@H]2O[C@H](n3cnc4c(Br)nc(Br)nc43)C[C@@H]2Oc2ccc(C)cc2)cc1,1
O=C1Cc2c(-c3ccccc3)cc(-c3ccccc3)nc2-c2ccccc2N1,1
CCCCCCCCCc1ccc(OC(C)=O)cc1,0
COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC[C@H]2O[C@H](n3cc(F)c(=O)[nH]c3=O)C[C@H]2OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,1
CC(=O)CCc1ccccc1,0
CC(C)CN(CC(C)C)C(=O)CCl,0
C=CCOc1ccc(C2CCCCC2)cc1,0
CC1(C)O[C@@H]2[C@H](O1)[C@H](n1cnc3c(N)nc(C#C[Si](C)(C)C)nc31)O[C@H]2CO[Si](C)(C)C(C)(C)C,1
Br.C(CCSC1=NCCN1)CCSC1=NCCN1,0
Cl.NCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
COc1ccc(C(=O)CCC(=O)O)c2ccccc12,0
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(Br)cc1,0
COc1cc2c(cc1O)N=CC1C[C@@H](F)CN1C2=O,1
Br[Bi]1(Br)SC(N2CCOCC2)=[SH]1,1
ClCCCN1CCCCC1,0
CCCCCCCCCCC(O)CCCCCCCCCC,0
COc1cc2c3c(cc(Cl)nc3c1OC)[C@@](O)(CC(=O)c1ccccc1)C(=O)N2,1
Oc1c2cccnc2c2nccc3c4c(nc1c32)CCCC=4,1
COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(N(C)C)cc3)C2)c(OC)c1,0
Cc1c2c3ccccc3nc-2n(C)c2ccccc12,1
CCOP(C)(=O)C(Cc1ccc(OC)c(OC)c1)=NO,0
CS(=O)(=O)OC1COC2C(OS(C)(=O)=O)COC12,0
CC(C)c1ccc(C2CCCCC2O)cc1,0
O=C1CC2(O)CSc3nc(=O)cc(n32)N1,0
Cc1cc(C)n(C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])n2nc(C)cc2C)n1,1
CC(=O)Nc1sc([N+](=O)[O-])cc1S(=O)(=O)c1ccc(Cl)cc1,1
Nc1nc[nH]n1,0
Cc1cc(=O)[nH]c(NNC(=O)c2ccc(Cl)cc2)n1,0
O=C(NN=Cc1ccc(O)cc1)C(=O)NN=Cc1ccc(O)cc1,0
CCC(C)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@H]3[C@]2(C)O)[C@H]2C[C@@]34O[C@@]5(O)[C@@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@]21O)[C@]4(C)CC[C@H]5OC(=O)[C@@](C)(O)CC.CCC(C)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@H]3[C@]2(C)O)[C@H]2C[C@@]34O[C@@]5(O)[C@@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@]21O)[C@]4(C)CC[C@H]5OC(=O)[C@@](C)(O)[C@@H](C)O,0
COc1cc(Br)c(CCC(=O)O)cc1OC,0
COC(=O)C(C#N)C(=N)C(Cl)(Cl)Cl,1
COc1cc(/C=C\c2ccc(C)cc2)cc(OC)c1OC,1
COc1ccc(CC(=O)OCCBr)cc1,0
O=c1nc(NCCCC(O)(P(=O)(O)O)P(=O)(O)O)c(F)cn1[C@H]1C[C@H](O)[C@@H](CO)O1.[Na+],0
Cc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,0
Nc1nc(-c2ccccc2)c(CCCNc2ccccc2)c(=O)[nH]1,0
Cc1ccc(S(=O)(=O)n2cc([C@@]3(O)C[C@H](CC#N)OC3=O)c3ccccc32)cc1,1
CCNc1ncnc2c1cnn2[C@@H]1CCCO1,0
CCOC(=O)C(=Cc1ccccc1)C(=O)c1ccccc1,1
O=C1c2ccccc2C(=O)c2sc(Nc3cccc(Cl)c3)nc21,1
CCCCNCCOC(=O)c1ccc([N+](=O)[O-])cc1.Cl,0
OCC1OC2C(NC(=S)N2c2ccccc2)C(O)C1O,0
COc1cc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc(OC)c1OC,1
COC1Nc2c(ccc(C)c2O)C(=O)N2C=C(C=CC(N)=O)CC12,1
COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC,1
c1ccc(-c2nnnn2-c2ccccn2)cc1,0
O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(F)cc1F,1
Brc1ccc2c(c1)=[SH]SN=2.Cl,1
O=C(c1ccccc1)C(Nc1ccccc1)c1ccccc1,1
CCOC(=O)C=Cc1ccc([N+](=O)[O-])o1,1
O=C1C(=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C1C(=O)c1ccccc1,1
CC(=O)OC1=C2C(C)C(OC(=O)C(OC(=O)CCC(=O)O)C(NC(=O)c3ccccc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C,1
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,0
N#CCC(C#N)N1CCOCC1,0
CC(C)=NNc1ncnc2[nH]cnc12,1
Cc1nc(C(=O)Nc2ccccc2)c[nH]1,0
CC1CCC(=O)CC1C,0
O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1,0
COc1ccc(C=NNC(=O)c2cccc3cc[nH]c23)cc1O,1
C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1ccc(=O)[nH]c1=O,1
Cc1c(N)cccc1Cl,0
Cc1cn(C2CCCO2)c(=O)nc1N,0
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl,1
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)O,1
CNc1ccccc1C(=O)NN=CC=Cc1ccccc1,1
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2,1
O=C(O)COc1ccc(Cl)c(Cl)c1,0
CCOc1ccccc1I,0
CCn1c2ccccc2c2ccc(C(C)=O)cc21,0
OC[C@@H]1O[C@@H](N2C=C(c3nc4ccccc4s3)[C@@H]3C=CC=C[C@H]32)[C@@H](O)[C@@H]1O,1
COc1ccc2c(c1)C(=O)C1NC(=O)NC(=O)C1(Br)N2,0
C=CCOc1ccc(C#N)cc1,0
Cc1ccccc1OC(=O)c1cccc(Cl)c1,0
CC(=O)C(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl,0
CC1(C)N=C(N)N=C(N)N1c1ccc(C(=O)O)cc1.Cl,0
O=C(CCCCC(=O)Sc1ccccc1)Sc1ccccc1,0
N#Cc1c2c(c(Cl)n3c1nc1ccccc13)CCCC2,1
c1ccc([Se]CCCN2CCN(CCC[Se]c3ccccc3)CC2)cc1,0
O=[N+]([O-])c1ccc(/C=C/c2ccncc2)cc1,0
CC[C@H](CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0
COc1cc(/C=N/n2c(-c3ccccc3)nn(C(C)=O)c2=O)cc(OC)c1OC,1
COC(=O)c1cc(O)c2cc3c(cc2c1-c1cc(OC)c(OC)c(OC)c1)OCO3,1
CCc1cccc(C)c1NC(=O)CCC(=O)OC,0
CC1(C)C[C@](O)(Cc2ccccc2)[C@](C)(O)c2ccccc21,0
Cc1ccc2[nH]c(-c3c(CCCO)n[nH]c3N)nc(=O)c2c1,0
CC1=CC(=O)C(=O)C=CCCc2csc(n2)C(C)NC(=O)CC2(CC1)[S+]([O-])SC(=O)C2(C)O,1
CCCC(O)C(CC)CO,0
CCN(CC)CC#CCN(CC)CC,0
N=C(N)N=NC(=CCc1ccccc1)C(=O)O,0
O=C(c1nn(-c2ccc(Cl)cc2)cc1O)n1[nH]c(=O)cc1O,1
CCCCOC(C)OC(CC)c1ccc2c(c1)OCO2,0
CCCCCC=CCC=CCCCCCCCCNC(=O)Nc1ccc(C)cc1,0
COc1cc(OC)c2nc(C)c3c(c2c1)NCC3,1
CCN(CCO)[C@H](c1ccccc1)[C@@H](O)c1ccccc1.Cl,0
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.O=C(O)C(=O)O,1
C=C[C@](Br)(CBr)CC[C@H](Br)C(C)(C)Cl,1
O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1,1
CCCC[Sn+2]CCCC.O=C([O-])Cc1ccc(F)cc1.O=C([O-])Cc1ccc(F)cc1,1
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1,1
CC(=O)Oc1cc2ccccc2cc1C(C)C,0
O=C(CCCC(=O)NN=Cc1cc(Cl)ccc1O)NN=Cc1cc(Cl)ccc1O,1
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[C@@H](O)c1ccccc1-2,0
COc1cc(Nc2ncccc2C(=O)Nc2nc3ccc(F)cc3s2)cc(OC)c1OC,1
O=C(Oc1ccc(NC(=O)c2cc3c(cc2Br)OCO3)cc1)c1ccccc1,0
CC(=O)O.CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N,1
O=C(CCN1CCCCC1)c1ccc([N+](=O)[O-])o1,0
CN(C)CCN=c1nc2c(c(N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2cccs2)cn1,0
CN(C)c1ccc(/C=c2/c3ccccc3n3c2c2cc(F)ccc2[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F,1
C(=NNc1nnn(Cc2ccccc2)n1)c1ccccc1,1
COc1ccc(C(C)=O)cc1,0
CCOC(=O)c1[nH]c(=S)n(Cc2ccccc2)c1C(=O)OCC,0
O=C(Cc1ccc(Nc2ccnc(C(F)(F)F)c2)cc1)NN=Cc1ccccc1O,1
c1ccc([Sn](Sc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1,1
COc1cc(/C=C2/CCOC2=O)cc(OC)c1OC,0
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCl)CCCl)c2c1,1
CC(O)CNC(C(=O)c1ccccc1)c1ccccc1,0
COC(=O)C(C#N)=C(C)C,0
Oc1oc([C@H]2CO[C@H](c3ccccc3)O2)c(O)c1O.[Na+],0
CCCC1C(CC)CC(CC)C(O)C1(CC)CO,0
CC(=O)Nc1c(Nc2ccccc2)[nH]c(C)nc1=S,0
Nc1cc2c(cc1Cl)-c1ccccc1C2,0
COc1cc(C2C3=C(O)OCC3C(NCCN(C)C)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
CC(C#N)(c1ccccc1)c1ccccc1,0
COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,0
CCCCN1C=C(C)N(CCCC)CC1,0
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c([N+](=O)[O-])c1,1
CC(=NNC(=S)N1CCCCC1)c1cccc(C)n1,1
CC(=NNC(=O)c1ccccc1O)c1cccc(C(C)=NNC(=O)c2ccccc2O)n1,1
CC(C)(C(=O)c1cccnc1)c1cccnc1,0
O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,1
CCN(CC)CCCNc1[nH]ccc2c(C)c3nc4ccncc4c(=O)c3cc12,1
C=C(CN(C)C)C(=O)c1ccccc1.Cl,1
Nc1ccc2[nH]c(-c3cccc(Cl)c3)cc(=O)c2c1,1
O=[N+]([O-])c1ccc(I)c(CNCc2ccccc2)c1,0
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12.Cl,1
CCC1(CC)SCCNC1=O,0
CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,1
O=c1[nH]c2[nH]c(Br)nc(=O)c2[nH]1,0
CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1.Cl,0
COP(=O)(Oc1ccccc1)Oc1ccccc1,0
CCOC(=O)C1CC(C)=C(C)CC1C(=O)O,0
CCSC(=S)NC(=O)c1ccccc1,0
CNC(=O)OC[C@@H]1CC=CCC1,0
O=C(N/N=C/c1ccc(F)cc1)c1ccccc1Nc1ccnc(C(F)(F)F)c1,0
S=c1[nH]cnc2sc(Nc3ccccc3)nc12,0
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2,1
O=C(C(=NC12CC3CC(CC(C3)C1)C2)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Br)C(=O)c1ccccc1,1
CN(CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1
CN(C)/C=C/c1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O,1
CCOC(=O)/C=C(\C(=O)OCC)n1cc(Cl)c(=O)n(CC(=O)OCC)c1=O,1
O=C1C2=C(C(=O)c3c(O)ccc(O)c31)[C@@H](O)[C@@H](O)[C@@H](O)C2,1
CS(=O)(=O)c1cc(=O)c2ccccc2s1,1
C=CCN(CC#N)CC=C,0
O=C1C(Br)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,1
O=C(O)C=CC(=O)Nc1ccccc1[N+](=O)[O-],0
COc1cc2c(C=C3C(=O)Nc4ccc(Cl)cc43)c(Cl)[nH]c2cc1C,1
CN(C)CCNc1nc2ccccc2c2[nH]c3ccccc3c12,1
COc1cccc2c3cccc(OC)c3c3[nH]cnc3c12,1
Cc1noc(NS(=O)(=O)c2ccc(Nc3nc(CC(=O)Nc4ccccc4)cs3)cc2)c1C,0
Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1,0
COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@@](C)(O)CCl)O2,1
CCCC[C@H]1CC(=O)NC1(C(=O)OCC)C(=O)OCC,0
Cc1cc(C)c(C#N)c(Sc2nc(C)c([N+](=O)[O-])c(C)c2C#N)n1,1
NC(=O)CNC(=O)OCc1ccccc1,0
Cc1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1,0
NC(=O)SCC(=O)Nc1ccccc1-c1ccccc1,0
CCn1c(C)nc2cc(C(N)=O)ccc21,0
C[C@H]1O[C@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H]1C[C@H](O)[C@]3(O)[C@@H](C)O1,1
Nc1ccc(S(N)(=O)=O)cc1,0
OCC1(c2ccccc2)CCN(Cc2ccccc2)CC1,0
Cc1ccc2c(c1)C(C)(O)CCC2,0
CC(C)(C)C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F,1
COc1cc(C(=O)C(=O)c2ccc(OC)c(OC)c2)ccc1O,0
Nc1cc(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c12,0
O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1Cl,1
O=C(Cc1ccccn1)C(F)(F)C(F)(F)C(F)(F)F,0
CCOC(=O)[N-]c1cn(N2CCOCC2)n[o+]1,0
CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O,1
Nc1cc(O)cc(O)c1,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)CC(CCC(=O)O)C(=O)O)cc3)cnc2n1,1
OCCc1ccc(Cl)cc1,0
COc1ccccc1-c1oc2c(c1O)Nc1ccc([N+](=O)[O-])cc1N2,0
Oc1[nH]c2ccccc2c1N=NC(=S)Nc1cccc(Cl)c1,1
Cn1cccc([N+](=O)[O-])c1=O,0
COc1ccc(C2SCc3nc4ccccc4n32)cc1,1
CC(=O)O[C@H]1C[C@@H]2/C(=C/[N+](=O)[O-])C(=O)[C@@]1(C)C2(C)C,1
C/C=C/CCCCCCCCCc1cc(O)oc1O,0
CC(=O)OC1C=CN(C(C)=O)C(SC(C)(C)C)C1(C)O,0
COc1ccc(-c2ccc3c(=O)n(C)c(SC)nc3n2)cc1,0
c1cncc([C@@H]2CCCCN2)c1,0
NCc1cccnc1,0
O=C(OC1CCCCC1)c1ccc(Cl)cc1,0
C[C@H](NC(=O)c1ccc(C#N)n1C)c1c(F)cccc1Cl,0
COC(=O)C1c2cc3c(c(O)c2[C@@H](OC)C[C@@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O,1
Cc1cc(=O)[nH]c2cc(-c3ccccc3)nn12,0
O=C(Nc1ccccc1)Oc1ccc[nH]c1=O,0
CC[PH](C#Cc1ccccc1)(c1ccccc1)c1ccccc1.I,1
CN(C)Cc1c(-c2ccccc2)oc(-c2ccccc2)c1Cl,0
CO[C@@H](C)CCOC(=O)c1ccc(C(C)C)cc1,0
CC(C)NC(=O)ON=C1CCC2C3CC=C4CC(OC(=O)NC(C)C)CCC4(C)C3CCC12C,1
O=C1OCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3.O=C1OCc2cc3cc4c(cc3c(-c3ccc5c(c3)OCO5)c21)OCO4,1
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3[nH]nc(C(C)C)c3n2)cc1,1
NCCNc1nc(N2CCCC2)c2nc(Cl)c(NCc3ccccc3)nc2n1,1
CN1C(=O)c2ccccc2CC12c1ccccc1C(=O)N2C,0
CCC1(OC(=O)CNC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
O=C(O)CCCn1cc(COP(=O)(OCc2cn(CCCC(=O)O)nn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)nn1,0
C=C[C@@](Br)(CBr)CC[C@@H](Br)C(C)C,1
c1ccc(-c2ccc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)cc2)cc1,0
CC(C)N=Cc1ccccc1,0
CC[C@@H](CO)NC1CCCC1,0
O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc2ccccc2c1,1
CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](Nc2ncnc3[nH]cnc23)O[C@@H]1C,1
CN(C)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23,1
CC(C)c1ccc(=O)c(O)c(O)c1.CC(C)c1ccc(O)c(=O)cc1.CC(C)c1cccc(=O)c(O)c1.CC(C)c1ccccc(=O)c1O,1
O=S(=O)(O)CCc1ccncc1,0
Brc1ccc2[nH]cc(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c2c1,1
Cc1ccc(O)cc1N(C)C,0
CC(=O)CC(=O)NCCN(C)C,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCO)c12,1
O=C(CCc1ccccc1)Nc1ccccc1OC(=O)c1ccccc1,0
CCC(=NOCc1ccccc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1,0
CCOC(=O)/C(C#N)=C1\SS/C(=C(/C#N)C(=O)OCC)S1,0
CC1=CCC(=O)C1=O,0
O[C@@H](c1ccccc1)[C@H](Nc1ccccn1)c1ccccc1,0
O=c1[nH]c(=S)[nH]cc1Oc1ccc(I)cc1,0
O=C(C=Cc1ccccc1)C(Br)C(Br)c1ccccc1,1
O=C1c2cccnc2-c2nccc3ccnc1c23,1
CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4ccccc4[nH]c23)c2[nH]c3ccccc3c(=O)c12.Cl,1
Cc1coc2c1C(=O)C(=O)c1ccccc1-2,1
CN1CCCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1.Cl,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)([C@H](C)O)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
CC(C)C1=CC23CCC4C(C)(C(=O)[O-])CCCC4(C)C2CC1c1c3c(O)n(-c2ccc(-n3c(O)c4c(c3O)C35C=C(C(C)C)C4CC3C3(C)CCCC(C)(C(=O)O)C3CC5)cc2)c1O.[Na+],1
Cn1c(SCc2ccccc2)nccc1=O,0
CCOC(=O)CN1CCC(C(=O)OCC)CC1,0
C=c1nc2sc(C)cn2c1=Cc1c(O)[nH]c2ccccc12,1
CC(=NNC(=S)Nc1ccc(Cl)cc1)c1nc2cccnc2[nH]1,1
CCC1(Cc2ccccc2)C(=O)NC(=S)N(C)C1=O,0
COc1cccc2c1c(C(=O)C(=O)Nc1ccsc1C(=O)O)cn2Cc1ccc(F)cc1,0
CC(=Nc1ccccc1)c1c(O)[nH]c(Cc2ccc(O)cc2)c1O,1
COc1ccc(S(=O)(=O)N/N=C/c2cccc[n+]2[O-])cc1OC,0
NC(=S)n1[nH]c(-c2ccccc2)cc1=O,0
CC(C)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,0
CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1,1
COc1nc2c(c(=O)n1C)CN(c1ccccc1)C(=O)C(C)N2,0
CCC(=O)CC(=O)c1ccccc1,0
COc1ccccc1/C=C1/CC[C@@](Cc2ccccc2)(CN(C)C)C1=O.Cl,1
CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1.CS(=O)(=O)O,1
COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1,1
Cc1nn(C)c(=S)[nH]c1=S,0
CC(C)NCC(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1NC(=O)CCC(=O)O.Cl,1
CCOC(=O)C(CC)c1ccccc1,0
O=C1C(=Nc2cccc(C(F)(F)F)c2)C(Cl)C(=O)N1Cc1ccc(Cl)cc1,1
CCN(CC)C(Cl)=Nc1ccc(Cl)cc1,0
O=C(CCC=C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1,1
O=C1NC(=S)S/C1=C\c1ccc2c(c1)OCO2,0
COc1cccc(C=NNC(=O)c2ccncc2)c1O,1
CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC(c1ccccc1)(C(C)(C)C)N2,1
C[C@@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1,0
O=C(c1ccccc1)N(C(=O)c1ccccc1)N1CCCC1,0
CNc1nc(C)nc(NC)n1,0
CCN(C)/N=N/c1ccc(C(N)=O)cc1,0
CC(=O)c1c(OCC#N)ccc2c(C)cc(=O)oc12,0
COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c1O,1
N#C/C(=C\c1ccncc1)c1ccccc1,0
CCOC(=O)C1=C(C)c2ccc(OC)c(OC)c2C1,0
CC[Si](C)(C[NH-])C[NH-].[Cl-].[Cl-].[Pt+4],1
O=Cc1ccc(O)c(O)c1,0
Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C(C(=O)[O-])C(C)(C)S[C@H]12.[Na+],0
COc1ccc(C=CC(=O)c2ccc3cc(OC)c(OC)cc3c2)cc1OC,1
CSc1ncc(Br)c(Sc2nc(N)nc3[nH]cnc23)n1,1
Cn1c(O)c(C2CCCCC2)c(=O)n(C)c1=O,0
COc1cc(C=Cc2ccccc2)cc(OC)c1OC,1
COc1cc(O)c2nc3ccccc3c3c2c1N=CC3,1
Cl.Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1,0
CN=C1C(=O)c2c(c3c4ccccc4c2c2c(O)ccc(O)c32)C(=O)C1Br,1
CN(CCCCCl)[P@@](=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O,1
O=C1NCCN1c1ccccc1,0
CCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,0
CCC(=O)[O-].CCCC[Sn+](CCCC)CCCC,1
CC[C@H](c1ccc(F)cc1)[C@@H](CC)c1ccc(F)cc1,0
C[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12,0
CN(C)CCCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23.Cl,1
CCCCCCOc1ccc(C(O)=NO)cc1,1
CCCCNC(=O)NC(=O)CS(=O)(=O)c1ccc(C)cc1,0
O=C(COc1ccc(/C=C2\CSc3ccccc3C2=O)cc1)c1ccc(Cl)cc1,0
CO[C@H]1[C@@H](O)[C@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)O[C@H](C)[C@H]1O,1
NNC(=O)c1ccccc1N,0
CCOC(=O)N1CCN(CCCCOc2ccc(Cl)cc2)CC1,0
O=C1NC2C(=O)c3c(Cl)sc(Cl)c3[C@H]2O1,1
Oc1ccc(CCC2CCNCC2)cc1,0
CC(C)(C)c1cc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O,1
CC(=NNC(=S)NC(C)(C)C)c1ccccn1,1
N#CCCOC(=O)c1ccccc1,0
CC(=O)Nc1ccc(N=Nc2ccccc2)cc1[N+](=O)[O-],0
COc1ccccc1.Cl,1
CC(=NNC(=S)N(Cc1ccccn1)Cc1ccccn1)c1cnccn1,1
CCCCCCCCCCC(C)Br,0
CNC(=O)OCCOC(=O)c1ccc(OC(=O)NC)cc1,0
O=C(CI)Nc1ccc(O)c2ccccc12,1
O=C(O)c1ccccc1C(=O)O[C@@H]1C[C@@H]2CC[C@H]1C2,0
CC(=O)c1ccccc1O,0
CC(C)(C)CC(C)(C)c1ccc(OCCSC(=N)N)cc1,1
O=C(O)C(Cc1ccccc1N(CCO)CCO)N1C(=O)c2ccccc2C1=O,0
COc1ccc(N[C@H]2Oc3cc4c(cc3[C@H](c3cccc(OC)c3OC)[C@H]2C)OCO4)cc1,1
Oc1c(Cl)cc(C(c2cc(Cl)c(O)c(Cl)c2)C(c2cc(Cl)c(O)c(Cl)c2)c2cc(Cl)c(O)c(Cl)c2)cc1Cl,1
Oc1cccc2cc(Cl)cnc12,1
CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,0
CC(CO)(CO)C(=O)O,0
COc1ccc(CN2C(=O)C(=Nc3cccc(C(F)(F)F)c3)C(Cl)C2=O)cc1,1
O=C1NC(=S)N=C1Cc1ccccc1O,0
C=CC(=O)NCCC(=O)OCn1cc(F)c(=O)[nH]c1=O,1
COc1cc(C2c3cc4c(cc3C3OC(=O)C2C3CO)OCO4)cc(OC)c1OC,1
CC(=O)c1nc2ccccc2n1CC(=O)c1cccc(Cl)c1,1
N=C1N(c2ccccc2)C(=S)/C(=N\c2ccccc2)N1c1ccccc1,1
C/C=C/[C@H]1OC[C@H](CC)[C@@H](CCC)O1,0
O=C1N=c2ccc(I)cc2=C1c1[nH]c2ccccc2c1O,1
Cc1cc(C(O)(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccc(S(=O)(=O)O)cc3)cc2)ccc1N,1
C=C1CC2(C[C@@H](c3ccccc3OC)O[C@H](c3ccccc3OC)C2)OC1=O,1
COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC.Cl,1
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1,1
COC(=O)/C=C/C=C(c1ccccc1)c1ccccc1,1
CC(=O)[C@]12OC(=O)C3=C1[C@H](CC[C@@H]3C)[C@@H](C)C[C@H]2C=C(C)C,1
O=[N+]([O-])C[C@H](SCc1ccccc1)c1ccc2c(c1)OCO2,1
O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1,0
c1ccc(-c2csc(CN3CCCCC3)n2)cc1,0
CC[C@@H](C)c1c(NC(=O)c2ccccc2)o[nH]c1=O,0
CC(C)Oc1ccc(Nc2ccccc2)cc1,0
CCOC(=O)NC(C(=O)OCC)C(OCC)OCC,0
CCOC(=O)C1CC(=NO)c2ccc(OC)c(OC)c2C1,0
CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,1
Oc1ccc(Cc2ccccc2)c2cccnc12,1
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,0
COC(=O)/C=C\C(C#N)(C#N)N=Cc1ccc(C)cc1,1
CCCCOC(=O)c1ccc(O)cc1,0
CN1C/C(=C\c2cccs2)C2=NN(c3ccccc3)[C@@H](c3cccs3)[C@H]2C1,1
c1ccc(-c2nc[nH]c2-c2ccccc2)cc1,0
CC1OCC2OC(O)C(O)C(O)C2O1,0
OCC1OC(n2ccc3c2ncn2ncnc32)C(O)C1O,1
COc1cc2c(c(N)c1OC)C(=O)C(=Cc1cc(C)c(O)c(C)c1)C2,1
O=C1NC(=O)C(=Cc2ccco2)C(=O)N1,0
Oc1c(C=CCc2ccc(C3CCCCC3)cc2)c(O)c2ccccc2c1O,1
COc1cccc(C2N3CCCN2CC3)c1,0
CCN(CC)C[C@@H](O)COc1c(Br)c(Br)c(Br)c2c1OC(C)(C)C2.Cl,1
CCOC(=O)C=Cc1cccc([N+](=O)[O-])c1,0
CCCCSc1nc(N)nc2c1ncn2C[C@@H](C)CC,0
CC1CNC(=S)N(c2ccc(F)cc2)C1=O,0
CN(C)Cc1ccccc1[N+](=O)[O-],0
C/C(=N\NC(=O)c1sc(=S)n(C)c1N)c1ccco1,0
CC(=NNC(=O)c1ccncc1)c1ccccc1O,1
Cc1ccc(CC(=O)Nc2ccc(NC(=O)CC=NC(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2C(=O)c2ccccc2)cc1,1
Cc1nc2c(o1)C(=O)c1ccccc1/C2=N/c1ccc(N2CCOCC2)cc1,1
Nc1cc(N)c(O)c(N)c1,0
O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O,0
CC(=NNC(=S)N1C[C@H]2CC[C@H](CC2)C1)c1ccncn1,1
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC=C(C)CCc1cc(O)ccc1O,1
COc1cc([N+](=O)[O-])c(S(=O)(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1.[Na+],0
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)C1=CCC(=O)[C@]12C,1
CC(C)Sc1ncnc2[nH]cnc12,0
CC(C)C1CCC(C)(C(=O)OCc2ccc3c(c2)OCO3)C1,0
O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1,0
CN(C)c1ccc(/C=N/n2c(O)csc2=S)c(Cl)c1,0
O=C(CCCCCCCCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O,1
O=C1CC(=O)c2cccc3cccc1c23,0
c1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cncnc2-3)cc1,0
O=C1C(Cl)=C(Cl)C(=O)C1(Cl)Cl,0
CCCCn1ccnc1C,0
COC1=CC(=O)C(O)=C(C[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCCC3(C)C)C1=O,1
Clc1cc(Cl)cc(Cl)c1,0
CCOC(=O)c1ccc(N[S@@+]([O-])c2ccccc2)cc1,0
Cc1nc(NC(=S)Nc2ccc(F)cc2)sc1C(=O)NN,0
COc1ccc(CCNc2nc3ccccc3c3[nH]c4ccccc4c23)cc1OC,1
CCc1nc(N)nc(N)c1-c1ccc(Cc2ccccc2)c([N+](=O)[O-])c1,1
O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12,0
COc1cccc(C(O)P(=O)(OC)OC)c1OC,0
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cccc(N(CCCl)NN)c3)cc2)c1.Cl,1
CCCCOS(=O)(=O)c1ccccc1,0
CCC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-],0
COc1ccc2c(ccc3c(C(=O)NCCCN(C)CCCNC(=O)c4cn(C)c5c4ccc4cc(OC)ccc45)cn(C)c32)c1,1
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)N(CCCl)N=O)CC[C@@H]12,1
Cc1ccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)cc1,1
O=P(CSCCO)(c1ccccc1)c1ccccc1,0
COc1cc([C@H]2c3cc4c(cc3[C@H](NC[C@@H](O)CO)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
COc1cc(/C=N/NC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC,1
CCn1c(CCl)nc2c1C(=O)c1ccccc1C2=O,1
CC(C)CCOB(OCCC(C)C)OCCC(C)C,0
COC1=NC2=NCCN2C(OC)=N1,0
CCCCCCCCCCCCCC(=O)O[C@H]1CCC(NC(=O)C(OC)[C@H](O)[C@H](O)[C@H](O)/C=C/C(C)C)C(=O)NC1,1
O=[N+]([O-])/C(=C\C=C\c1ccccc1)c1ccccc1,1
c1ccc(-c2csc(CN3CCCCC3)n2)cc1,0
C(=C/c1ccccn1)\c1cccnc1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Br,1
C=CCOc1c(CCC)cc(C(=O)O)cc1CCC,0
COc1cc2cc(O)[nH]c2cc1OC,0
c1nc(SSc2ncnc3[nH]cnc23)c2[nH]cnc2n1,1
CC(C)(C)c1ccc2c(c1)OP1(Oc3cccc4cccnc34)(O2)Oc2ccc(C(C)(C)C)cc2O1,1
C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H](C)N1.[Na+],0
CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1O,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(NC(=O)c5cc([N+](=O)[O-])cn5C)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
O=C(O)c1c(Cl)n(Cc2ccc(O)cc2)c2ccc(O)cc12,0
COC(=O)CN=C(CCCOC(=O)Nc1cccc(Cl)c1)C(C#N)c1nc(=O)c2ccccc2[nH]1,0
O=C1NCC(Nc2ccccc2Cl)C(=O)N1,0
C=CCCCCCCCCC(C)=O,0
Nc1c(C(=O)c2ccc(Cl)cc2)[nH]c(Nc2ccc(Cl)cc2)c1C(=S)Nc1ccccc1,1
COc1ccc2[nH]c3c(C)c4cnccc4c(C)c3c2c1,1
O=S(=O)(Oc1ccc(Cl)cc1)c1cccc2cccnc12,0
CCCCNC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1,1
Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O,0
CCCN(CCC)C(=S)NN=Cc1cccc(C)n1,1
CC[C@@H](C)c1c(N)n(S(=O)(=O)c2ccc(C)cc2)oc1=O,0
Cc1c(Cl)cccc1NC(=O)OC(C)C.Cc1ccc(Cl)cc1NC(=O)OC(C)C,0
O=C(NN=Cc1cc(Br)ccc1O)c1ccncc1,1
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4,1
CC(C=NN=C(N)N)=NN=C(N)N.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,0
CCCCCCCCCCCCCCCC(=O)NCCOC(C)=O,0
CCC(C)COC(=O)c1ccc([N+](=O)[O-])cc1,0
C=C(C(=O)c1ccccc1)C(NC(C)(C)C)c1ccccc1,1
CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1c-2cc(Br)c(N)c1Br,0
CC1(C)Cc2cc(Br)ccc2O1,0
O[C@@H](c1ccccc1)c1nn(CN2CCOCC2)c(=S)n1CCc1ccccc1,0
Oc1ccc(O)n1-c1ccccc1Cl,0
Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,0
CC(C)(C)c1cc(CNCCNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1,0
N#Cc1c(N2CCOCC2)nc2sc3cc(Cl)ccc3n2c1=N,0
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,0
O=C(N/N=C/c1ccccc1Cl)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
O=[N+]([O-])c1ccccc1C=NNC(=S)NN=Cc1ccccc1[N+](=O)[O-],1
CCCc1cc2c(cc1NC(=O)Cc1ccccc1)OCO2,0
CC(=NNC(N)=O)c1ccccc1,0
Cc1nn2c(=O)c([N+](=O)[O-])c(/C=C/c3ccccc3)nc2s1,1
CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1NC(=O)c1ccccc1,0
COc1ccc(C(C)(C)CC(C)(C)C)cc1,0
COc1ccc2[nH]c3cc(Cl)ccc3c(=N[C@@H](C)CCCN(CCCl)CCCl)c2c1.Cl,1
COc1c(O)c(C)c(C=CCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1OC.[Br-],1
Brc1ccc2[nH]cc(-c3nc(-c4c[nH]c5ccccc45)cs3)c2c1,1
S=c1[nH]cnc2c1ncn2[C@@H]1CCCCO1,0
COc1ccc2c(CN3CCCCC3CO)cc3cc(OC)c(OC)cc3c2c1,1
Nc1[nH]cnc(=O)c1/N=C/c1ccccc1,0
O=C(NCCNCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0
CC(CC(C#N)NCCNC(C#N)CC(C)CC(C)(C)C)CC(C)(C)C,0
Cc1cc2c3ccccc3[nH]c2c2ccnc(C)c12,1
N=C(N/N=C/Cc1ccccc1)C(N)=N/N=C\Cc1ccccc1,0
CCCCC(CC#N)(CCC)CCC,0
CC(=O)OCC1CC(COC(C)=O)C(COC(C)=O)CC1COC(C)=O,0
CCOC(=O)CCS(=O)(=O)Cc1ccccc1,0
COC1CCC(O)C(C=C[N+](=O)[O-])C1,1
O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1,0
Cc1cc(NC(=O)NCc2ccco2)ccc1NC(=O)NCc1ccco1,0
CN(C)C1(C)C=CC2CC1C2(C)C,0
COc1ccc(OC)c2c1C[C@@H]1[C@@H](C#N)N3C(Cc4c(OC)ccc(OC)c4[C@@H]3C)C(=O)N1[C@H]2C,1
CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O,0
O=C(NN=Cc1ccc(Cl)c(Cl)c1)C(=O)NN=Cc1ccc(Cl)c(Cl)c1,0
O=C(/C=C/c1ccccc1)CC(=O)c1ccccc1,0
NC(=S)n1[nH]c(-c2ccccc2)cc1=O,0
Cc1ccccc1NNc1ccccc1C,0
CC12CCC3C(C=CC45CC(O)CCC34C5)C1CCC2OC1CCCCO1,0
O=S1(=O)N=C2Sc3ccccc3N2c2ccncc21,0
Cn1c(=O)c2[nH]c(CCc3ccncc3)nc2n(C)c1=O,0
Oc1ccccc1C=Nc1cccc(C(F)(F)F)c1,0
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc12,1
C=C1N(C)c2ccc(Cl)cc2C1(C)C,1
CCN(CC)CCn1[nH]c2c3ccc(=O)cc3sc3c(NCCN)ccc1c32.Cl,1
C=C1C(=O)O[C@H]2C=C(C)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@H]12)O3,1
Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3ccc(N)nc3N)cc2)s1,0
Cc1cc(C)c(CC(=O)c2ccccc2)c(C)c1,0
Cc1c(C)c(Br)c(Br)c(Br)c1Br,0
COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl,1
Clc1cc(Cl)c(Cl)c(Cl)c1Cl,0
COc1nccnn1,0
COc1ccc(COC(=O)CC(C)C)cc1,0
CC(=O)Nc1ccc2[nH]c(-c3cccc(Cl)c3)cc(=O)c2c1,1
O=C(O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1,0
O=C1C=Cc2noc3cccc1c23,1
O=C1NCCN1CCO,0
COC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3[nH]c(-c4ccccc4)cc3N12,0
COc1ccc(-n2c3c(c4c(CN(C)C)c(O)ccc42)C(=O)c2ccccc2C3=O)cc1,1
C=CCNC(=O)N(C)C,0
O=C(OCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1,1
Cc1nn2c(/C=N/N=C(N)N)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1.Cl,1
CCN(CC)CCCCCNc1cc(O)cc2cccnc12,0
COc1ccc(CCc2ccccn2)cc1,0
O=C1NC(=O)C2(CCCc3ccc(N(CCO)CCO)cc32)N1,0
N=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1,0
C=CCn1c(O)c2c(c1O)CCCC2,0
O=C(c1ccco1)N1CCN(C(=O)c2ccco2)C1=S,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccc(N)cc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Cc1nc(-c2ccccc2)cc2c(O)c(C(=O)NN=Cc3ccc(O)cc3)[nH]c(=O)c12,0
COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.Cl,1
O=C(O)COc1cccc(O)c1,0
C[C@H]1C[C@H](NC(=S)N(C)C)CC(C)(C)C1,0
Clc1ccccc1CN1COc2c(ccc3cccnc23)C1,1
CC(=O)C(=Cc1ccc(C=C(C(C)=O)C(C)=O)cc1)C(C)=O,1
NC(=O)Nc1nc[nH]n1,0
Cc1ccc(NC2CNC(=O)NC2=O)cc1C,0
Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1.Cl,1
CCNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)c2ccccc12.[Cl-],1
COc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(OC)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl,1
Cc1c2c(cc3c1[nH]c1ccccc13)C(c1ccc(F)cc1)=NCC2,1
Cc1ccccc1NC(=O)NCCN1CC1,0
N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2c-4ccc3c2ccc2ccccc23)C1,1
COc1ccc(OC)cc1,0
Ic1ccc2[nH]cc(SSc3c[nH]c4ccc(I)cc34)c2c1,1
Cc1ncc(C(=O)O)c(C(=O)O)c1N,0
CCCC(=O)c1cc(C)cs1,0
CC(C)(C=O)CCC#N,0
O=C(CSC1CCc2ccccc21)NN=Cc1ccccc1O,1
CC1(C)CCC(C)(C)[C@@H]2C[C@H]3[C@H](C[C@H]21)C(C)(C)CCC3(C)C,0
O=C(O)C1(C(=O)O)CCCC1,0
Oc1cc(Br)cc2cc(Br)cnc12,1
COc1cc(C=O)c([N+](=O)[O-])cc1O,0
CN(C(=O)/C=C/c1ccccc1)c1ccccc1,0
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@]1(O)CC[C@H]2c1ccc(=O)oc1,1
CCN(CC)CCCNc1ncc(C)c2c1c1ccc3c(O)cccc3c1n2C,1
CC(C)(C)c1cc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc(C(C)(C)C)c1O,1
O=c1cc[nH]c2c(Cl)c3nnn(OCc4ccccc4)c3cc12,0
O=C1c2[nH]c3ccccc3c2CC1N1C(=O)c2ccccc2C1=O,0
O=C(O)/C=C/C(=O)NCc1ccco1,0
O=c1[nH]cnc2c1ncn2C1OC(CO)CC1F,0
C=CCOC(CCl)CCl,0
COc1ccc(OCCCC(=O)Nc2nnc(C3CC3)s2)cc1,0
COc1ccc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)c(OC)c1,1
CC(C)CNCC(O)COc1ccccc1,0
CCO.COc1ccc(-n2cnc(=S)[nH]c2=S)cc1,0
O=[N+]([O-])c1ccc(/C=N\NC(=S)Nc2ccc(F)cc2)cc1,0
CNc1ncnc2c1cnn2C,0
S=c1[nH]nc(SCc2ccccc2)c2[nH]cnc12,0
Cn1c(C(=O)c2ccncc2)cc2ccccc21,0
O=[N+]([O-])c1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])cc2)cc1,0
COc1c(O)c2ccccc2c2cc(O)ccc12,1
Cc1ccc(CN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC(C)(C)C)c2ccccc2)o1,0
C[Si](C)(CN)CN.Cl.Cl.Cl.Cl.[Pt+6],1
O=c1[nH]nc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])o1,1
CCCOP(=S)(Nc1nc(=O)cc(N)[nH]1)OCCC,0
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1N=Nc1ccccc1[N+](=O)[O-],0
O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1,0
C[C@@H]1[C@@H]2C[C@@H](O)c3c4c(cc(c32)O[C@]12OC(C)(C)C[C@H]2O)[C@]1(C)Cc2nc3c(nc2C[C@H]1CC4)C[C@]1(C)[C@H](CC[C@H]2C4=C[C@H]5O[C@@]6(O[C@@](C)(CO)C[C@@H]6O)[C@@H](C)[C@@]5(O)[C@]4(C)[C@@H](O)C[C@@H]21)C3,1
O=C(CC(=O)c1cccs1)c1ccncc1,0
S=C1SCN(Cc2ccccc2)CN1Cc1ccco1,1
O=C1CC(=NCCNCCO)C(=O)c2c1c(O)c1ccccc1c2O,1
C=CCOC(=O)C(O)C=C,0
O=C(OCCCCCOC(=O)c1ccccc1)c1ccccc1,0
CSc1nc(=S)cc[nH]1,0
COC(=O)N1CCN(c2ccc(C)cc2)CC1,0
O=c1cc(CO)occ1O,0
CC1CC=CCC1C(=O)O,0
COC(=O)C1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O,1
CCOC(=O)Nn1cc(O)c(-c2nc(-c3ccc(Br)cc3)cs2)c1N,0
COc1cc2c(cc1OCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,1
CC(=O)Nc1nnc2c3ccccc3n(C(C)=O)c2n1,0
COc1ccc2c(c1)/C(=C/c1cc(OC)c(OC)c(OC)c1)C(=O)N2,1
COc1ccc2c(c1)[n+]([O-])c(C(=O)c1ccco1)c(C(F)(F)F)[n+]2[O-],1
O=c1cc[nH]c(=S)[nH]1.[Au+].c1ccc([PH-](c2ccccc2)c2ccccc2)cc1,1
NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-],0
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1,1
Cn1ccn(CCCCCCn2ccn(C)c2=S)c1=S,0
O=C(O)/C=C/C(=O)Nc1ccccc1,0
COc1cccc(/C=N/N2CCCCCC2)c1OC,0
C=CCN=C(N/N=C/c1ccc([N+](=O)[O-])o1)NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1SC,1
CCOC(=O)Oc1ccc(C)cc1,0
N#CN=C(N)NC(=O)c1ccccc1,0
c1ccc(Oc2c3ccccc3nc3ccccc23)cc1,1
COc1ccc([C@@H](OC)[C@@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1,0
CCOC(=O)/C=C(\C(=O)OCC)n1cc(C)c(=O)n(Cc2cnnn2CCCCOC(C)=O)c1=O,1
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1.CCS(=O)(=O)O,1
CC1C[C@H](C)CC([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1=O,1
OC1(CSc2ccccc2)CCCCC1,0
O=C1CCSc2c1ccc1ccccc21,0
Cn1c(N)nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c1=O,0
C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2,1
CC(=O)[O-].Cc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1,1
CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,0
N#CC(=Cc1ccc(Br)cc1)C(=O)c1ccccc1,0
Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3ccccc3nc-2c1=O,1
CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(OC)cc1,0
O=C(/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1,0
O=[N+]([O-])c1ccc2cc[nH]c2c1,0
Cc1cc2oc(=O)cc(OC/C=C3/CCC(=O)O3)c2cc1C,1
CCCCN=Cc1ccccc1O,0
COc1cc(C(C)=NNC(=O)c2ccncc2)ccc1O,0
Oc1c(C=CC2=CCCC2)c(O)c2ccccc2c1O,0
O=C(O)c1cc(=S)[nH]cn1,0
CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(O)C3=C(C(=O)C[C@]12Cl)C(=O)c1ccccc1C3=O,1
COC(=O)c1ccc(C=C(c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)o1,1
O=Cc1cc(Cl)ccc1O,0
CCOC(=O)C(CC(C)C)NC(=O)C(N)Cc1ccc(N(CCCl)CCCl)cc1,1
CN(C)c1nc(-c2ccccc2)c(C(=O)c2c[nH]c3ccccc23)s1,1
C[C@@H](O)Cn1cc(O)c(-c2nc3ccccc3s2)c1N,0
Cc1ccc(C)c2c1[nH]c1ccccc12,0
Nc1nc(N)c2ncn([C@@H]3C=C[C@@H](CO)C3)c2n1,0
N#CC(NNC(=O)c1ccccc1O)c1ccc(O)cc1,1
C[C@H](O)c1cc2c(s1)C(=O)c1ccsc1C2=O,1
Cn1c(-c2ccncc2)nc(=O)c2ccccc21,0
CCOC(=O)CC(C)=Nc1ccc(N=C(C)CC(=O)OCC)c2c1Oc1ccccc1O2,0
CC(C)=CC(=O)O[C@H]1C2C(C)CC(=O)C(=O)[C@]2(C)[C@H]2[C@@]3(O)OC[C@@]24[C@@H]1OC(=O)C[C@H]4[C@H](C)[C@H]3O,1
CC(C)CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,1
CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1,0
CCCC[Sn+2]CCCC.[O-]C[C@@H]([O-])CN1CCOCC1,1
Oc1c(Br)cc(Cl)cc1C(c1cc(Cl)cc(Br)c1O)C(Cl)(Cl)Cl,1
CCCCCC(=O)Oc1ccccc1OC,0
CO[C@@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)c2cc(O)cc(c2O)NC(=O)C(C)=CC=CC(C)[C@H](OC(N)=O)/C(C)=C\[C@@H]1C,1
C=CCc1ccc(O)c(OC)c1,0
Cl.NNc1c(C(N)=O)c2c(N)ncnc2n1[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,1
C=CCOC(N)=O,0
COc1cc2c(c(OC)c1OC)-c1cccc(=O)cc1C(NC(C)=O)CC2,1
S=C(Nc1cccc2ccccc12)NN1CCCCCC1,0
COc1cc2c(cc1OCCCNC(=O)c1cccc3c(=O)c4ccccc4[nH]c13)N=CC1CCCN1C2=O,1
Cc1ccccc1OC[C@@H](O)CN1CCCC1,0
O=C(OOC(=O)c1ccccc1)c1ccccc1,0
Clc1nc(Cl)c2ncn(Cc3ccccc3Cn3cnc4c(Cl)nc(Cl)nc43)c2n1,1
Cc1ccc([IH]c2ccc(C)cc2)cc1,1
C1=NN(c2ccccc2)[C@H]2[C@H]3N(C=NN3c3ccccc3)c3ccccc3N12,0
COc1ccc(OC)c(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
Nc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O,1
O=C(Cc1ccccc1[N+](=O)[O-])NCC1(c2cccc3c2OCO3)OCCO1,0
COC(=O)CN(C)P(=O)(N1CC1)N1CC1,0
O=C(CC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1,0
CC(=O)C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCC(=O)O)CC[C@]4(C)C3C(=O)C[C@]12C,0
CCc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-],0
COc1ccc(-c2cc(=O)c3cc(C)cnc3[nH]2)cc1,1
Cc1ccc(S(=O)(=O)NCCCCC(N)C(=O)O)cc1,0
Cc1cc(C)[nH]n1,0
COc1ccc(C(Cl)=C(c2ccc(OCCN(C)C)cc2)c2ccc(OCCN(C)C)cc2)cc1.Cl,1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1,0
CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(F)cc1)c1ccccc12.Cl,1
Cc1cccc2nnc(-c3ccccc3)n12,0
CCCCn1ccnc1C,0
O=C(CCCCCN=C1CC(=O)c2ccccc2C1=O)NCCC[Te]c1ccccc1,1
CC[C@H](O)c1ccc(N)cc1,0
c1ccc(-n2nnnc2-c2cccc3ccccc23)cc1,1
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)Nc3nc(C)c(C)s3)c1)O2,1
CS(=O)(=O)c1ccncc1,0
Cl.NCCCNCCCCNCCCN,1
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C,1
CCCCCCCCCCCCCCCCCCN(C)[C@H](COC)CO[P@](=O)([O-])OCC[N+](C)(C)C,1
O=C(Oc1ccccc1)C(Br)[C@H](Br)c1ccccc1,1
Clc1ccc(CSc2ncc(Br)c(Nc3cc(Cl)ccc3Cl)n2)cc1,0
Cc1c(Cl)cc(C(C)C)c(O)c1CN1CCOCC1,0
CC(CNC(Cc1ccccc1)c1ccccc1)NC(Cc1ccccc1)c1ccccc1,1
c1ccc(CC(=NNc2nc3ccccc3[nH]2)c2ccccn2)cc1,1
O=C(O)C(SC(C(=O)O)c1ccccc1)c1ccccc1,0
COc1ccccc1/C=C(\C)[N+](=O)[O-],1
C=c1[nH]c2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23.Cl,1
Nc1cccc([As@](=O)(O)c2ccccc2)c1,0
Oc1c2c(c(O)n1N=Cc1cccc3ccccc13)C1C=CC2O1,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=O)cc1,1
O=C(Cc1ccccc1)NN1C(=O)C(Cl)[C@H]1c1cc(Br)ccc1O,1
CC(=O)/C(Br)=C/c1ccc(Br)o1,1
O=[N+]([O-])c1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1,1
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,1
CCOC(=O)c1c[nH]c(=S)[nH]c1=O,0
O=C(CCl)Nc1cc(Cl)c(Cl)cc1Cl,1
Cc1cc(-n2cc(C)c(=O)[nH]c2=O)ccc1F,0
CCOC(=O)CCCCCCCCC(=O)OCC,0
O=C(Nc1ccccn1)c1c(Cl)nc2n1CCS2(=O)=O,0
OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@@H]1O,1
CCOC(=O)c1ccc(NC(=O)Nc2nncs2)cc1,1
CCOC(=O)C1(C(=O)OCC)C(C)CC(=O)N1c1ccccc1OC,0
CCN(CC)CCCCO,0
Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1,0
Cc1cccc2c(N=Nc3ccccc3[N+](=O)[O-])c(O)[nH]c12,1
CC(C)=CN1CCCCC1,0
Cc1cccc(NC2(C(=O)O)CCCC2)c1,0
Cc1sc2nc(-c3cccc([N+](=O)[O-])c3)c(/C=N/N=C(N)N)n2c1C.Cl,1
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,1
[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.c1ccc(C[Sn+2]Cc2ccccc2)cc1,1
CC[C@H]1CC(=O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)[C@@]1(C#N)C(=O)OC(C)(C)C,1
Cc1ccc(N=c2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH]2)cc1S(N)(=O)=O.Cl,1
CC(C)n1c2c([n+](C)c1/C=C/c1ccccc1)C(=O)c1ccccc1C2=O.[I-],1
O=[N+]([O-])c1ccc(C[C@@H](Cl)c2ccccn2)cc1,0
CN(C)CCNc1c2c(c(NCCN(C)C)c3c(CN(C)C)c[nH]c13)C(=O)c1ccccc1C2=O,1
O=[N+]([O-])C=Cc1c[nH]c2ccc(OCc3ccccc3)cc12,1
Cn1ccc2cc(OCc3ccccc3)ccc21,0
[Cl-].[Cl-].[Cl-].[Cl-].[NH-]CCCCC[NH-].[NH2-].[NH2-].[Pt+4].[Pt+4],1
O=C(O)C1(C(=O)O)CC=CC1,0
CC(CO)CC1CCC(C(C)(C)C)CC1,0
COC(=O)C1=C(C)N=C(C)C([N+](=O)[O-])[C@H]1c1cccc(NO)c1,1
Cc1cc(Nc2nc[nH]n2)n2ncnc2n1,0
CCOC1CCCC(n2cnc3c(Cl)ncnc32)O1,0
CCC[Pb+](CCC)CCC.Cc1ccc(S([NH-])(=O)=O)cc1,1
O=C(O)c1ccc(NCn2c(=S)sc3ccccc32)cc1,0
COc1ccccc1[C@@H]1CC[C@H]2CC[C@@H](c3ccccc3OC)[N@+]21Cc1ccccc1.[Cl-],1
Cl.NCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
CC(=O)Nc1ccc(C=NNc2nnc(NN=Cc3ccc(NC(C)=O)cc3)c3ccccc23)cc1,0
CCOc1ccc(OCC)c(NC(=O)CC(C)=O)c1,0
CCCCn1c(O)cc(Sc2cc(O)n(CCCC)c2O)c1O,0
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,1
CCCCCCCCCCN(CCCCCCCCCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1,1
C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=O.[I-],1
CCOC(=O)/C(C#N)=C/N1CCN(C(=O)CCCl)c2ccccc21,0
COc1ccc([C@H](C#N)NNC(=O)c2ccccc2O)cc1OC,1
COS(=O)(=O)[O-].C[n+]1c2ccccc2c(CNC(CCC(N)=O)C(=O)O)c2ccccc21,1
COc1ccc(-c2cn(C(=O)c3ccc(C(F)(F)F)cc3)nc2N)cc1,0
O=c1ccc2cc(Cl)ccc2o1,0
COc1ccc(O)c(C(=O)CC(=O)c2ccncc2)c1,0
O=[N+]([O-])/C=C/c1ccc2ccccc2c1,1
CCCC[Sn+](CCCC)SCC[O-],1
Cc1ccc(Nc2c(O)[nH]c(=O)[nH]c2=O)cc1,0
CC1(C)Oc2c(ccc(O)c2CN2CCOCC2)C2=C1CCCC2,0
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,0
COc1cc2c(C=C3C(=O)Nc4ccc(Cl)cc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C,1
Nc1ccc(S(=O)(=O)O)c2ccccc12,0
Cc1cc(C)n(N=Cc2ccccc2O)c(=O)c1C#N,0
NC1CCCCC1.ON(O)O,0
CC(C(=O)C(C)(C)C)C(=O)C(C)(C)C,0
CCOC(=O)C(C#N)=Cc1cccc(Cl)c1,0
Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-],0
CN1c2ccccc2C2c3c(O)ccc(O)c3C=C([N+](=O)[O-])[C@H]21,1
N#CC(C#N)=CN1CCN(C(=O)c2ccco2)C1=S,1
O=C(Oc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)C1(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1,0
CCOC(=O)C=C(C(=O)OCC)n1ccc(=O)n(CC(=O)OCC)c1=O,1
NC1CC2CCC1C2,0
COC(=O)c1cncc(C)c1,0
CCN(CC)CCn1cnc2ccccc2c1=O,0
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3,1
CCOC(=O)c1[nH]c(=S)n(Cc2ccccc2)c1C(=O)OCC,0
CC1(C)C(=O)C=C(N2CCCCC2)c2ccccc21,0
Cn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)C=CC3=O,1
CN(C)CCNc1ccc2nnn3c4ccccc4c(=O)c1c23,1
Nc1ccccc1C(O)=NO,0
CC(C)SC(=S)Sc1c(Cl)c(Cl)nc(Cl)c1Cl,1
O=[N+]([O-])c1ccccc1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,0
Cc1ncc(O)c(CO)c1O,0
N#CC(C#N)=Cc1ccc(Br)cc1,0
C/C(=N\N=C(/C)c1ccccc1)c1ccccc1,0
CCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCC)cc1.[Br-],1
CCCCCCc1cc2cc(C(=O)Nc3ccccc3)c(=N)oc2cc1O,1
O=C(Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1)c1ccccc1[N+](=O)[O-],1
COC(=O)C(N)CS.[Cl-].[H+],0
CCCc1cc(=O)[nH][nH]1,0
Oc1csc(=S)n1/N=C/c1ccc2c(c1)OCO2,0
COC(=O)NC1C(C)OC(OC2C/C=C(/C)C3C=CC4C(OC5CC(OC6CC(OC7CC(O)C(O)C(C)O7)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3C(=O)OC4(CC(C)C(CO)=CC4/C=C\2C)C3=O)CC1(C)[N+](=O)[O-],1
O=C1CC2(CCCCC2)CC(=O)N1CCc1ccccc1,0
CC(=O)ON(C(C)=O)C1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC2OC3(CCCC3)OC21,1
C[C@@H]1CCCCCC[C@@H]1OC(=O)c1ccccc1C(=O)O,0
CCCCCCCCCCOc1ccc(C(=O)c2ccc(OCCCCCCCCCC)cc2O)cc1,0
CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)C[C@@]4(C)CC[C@@H]32)C1,0
O=C(NCCc1ccc(F)cc1)c1cc(C=Cc2cc(O)ccc2O)ccc1O,1
N#CCCC1=CC(CCC#N)(CCC#N)c2ccccc21,0
CCCC(=O)N1CCOCC1,0
c1nc(SC2CCCC2)c2[nH]cnc2n1,0
CCc1ccc2c(c1)C(=O)CCC2,0
COC1=CC(=O)c2c(c(COP(=O)(N(C)CCBr)N(C)CCBr)cn2C)C1=O,1
CC(C)(C)CC(C)(C)c1ccc(OCCOCCSC(=N)N)cc1,1
Cc1cc(C)c(SSc2nnnn2-c2ccccc2)c(C)c1,0
Oc1cc(N2CC2)c(O)cc1N1CC1,1
C=CCCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O,0
COC(=O)C1=NN(c2ccccc2)[C@H]2[C@H]3N(c4ccccc4)N=C(C(=O)OC)N3c3ccccc3N12,0
N#CC1(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C=C[C@@H](c2ccccc2)C1(C#N)C#N,1
CC(=O)CC(=O)Nc1nccs1,0
CCCCC(C(=O)N/N=C/c1ccc([N+](=O)[O-])o1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1,1
COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1OC,1
C[C@@H](NC(=O)Oc1cccc2ccccc12)c1ccccc1,0
N[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCBr)CCBr,1
O=S(=O)(/C=C/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1,1
O[C@H](COc1ccc(Cl)cc1)CN1CCCCC1,0
c1ccc(-c2cc(-c3c[nH]c4ccccc34)c3ccccc3n2)cc1,0
O=C1CC(=NCCc2ccccc2)c2ccccc2C1=O,1
CC(C)(C)NC(N)=O,0
CC1=CC2OC3CC4OC(=O)CCCCC(C(C)O)OCC(O)C5(C)OC5C(=O)OCC2(CC1O)C4(C)C31CO1,1
O=C(Nc1cccc(O)c1)c1ccc(N=C2C(=O)N(Cc3ccc(Cl)cc3Cl)C(=O)C2Cl)cc1,1
COC(=O)c1ccccc1C(=O)O,0
CNCCNC1c2cc3c(cc2C(c2cc(OC)c(O)c(OC)c2)C2=C(O)OCC21)OCO3.Cl,1
COc1ccc2c(c1)c(C(=O)C1COC(=O)C1=O)cn2Cc1ccc(F)cc1,0
Cc1ccc(C(=O)COc2cccc(/C=C3\Oc4ccccc4C3=O)c2)cc1,0
O=C1OC(C(Cl)(Cl)Cl)Nc2ccccc21,0
O=C1c2cccc(NCCN=Cc3cc([N+](=O)[O-])ccc3O)c2C(=O)c2c(NCCN=Cc3cc([N+](=O)[O-])ccc3O)cccc21,1
CC(C)N1CCC(=O)NC1=O,0
Cl.c1c2c(cc3c1OCO3)-c1ncc3cc4c(cc3c1C2)OCO4,1
CCOC(=O)c1[nH]c(C#N)c(C(=O)OCC)c1C,0
CCc1cccc(CC)c1NC(=O)NCCN1CC1,0
CCCCCCOC(=O)C(O)c1ccccc1,0
Clc1nc(Cl)nc(-c2cn(-c3ccccc3)c3ccccc23)n1,0
CSC1=NCCN1,0
CCCCCCCCCCCCO[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@H](CO[C@@H]1O[C@@H]([C@H](O)CO)[C@@H]2OC(C)(C)O[C@H]12)OC(=O)Nc1ccc([N+](=O)[O-])cc1,1
CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c(-c3c[nH]c4ccccc34)[nH]c3ccccc23)C1=O,1
Cl.Cl.Cl.Cl.NC[Si]1(CN)CCCCC1.[Pt+6],1
O=C(O)C1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,0
CC(C)(C)c1cc(/N=C/c2ccc(Cl)cc2)n(-c2ccccc2)n1,0
C=CCCC1(CC)C(=O)NC(=S)NC1=O,0
CC1(C)C(=O)n2c(O)cc(=O)n2C1=O,0
CN1C(=O)C(C(N)=NO)C(=N)C12CCCC2,0
CC(=O)OCc1ccc([N+](=O)[O-])cc1,0
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21,1
CC1=C([Te]c2ccc(O)cc2)C(=O)c2ccccc2C1=O,1
CC1=C(CO)C(=O)O[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C(N5CC5)=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,1
COc1cc(CCNC(=O)OC(C)(C)C)c2c(c1OC)SSSSS2,1
CCOC(=O)/C=C(/C(=O)OCC)n1cc(Cl)c(=O)n(CC(=O)OCC)c1=O,1
Nc1ccccc1[As@](=O)(O)c1ccccc1,0
Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C2,0
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1O,0
O=C1c2cc(CCl)sc2C(=O)c2ccsc21,1
COc1cc(CNC2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1,1
CC1=CC(C)(C)NC(=S)N1c1cccc(Cl)c1,0
COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,1
N=C(N)NN=C(c1ccccc1)c1ccccc1F,1
CCCC(CO)(CO)CO,0
COc1ccc(C(=O)COc2cccc(/C=C3\CSc4ccc(Cl)cc4C3=O)c2)cc1,1
CCC[C@H]1O[C@@H](c2cc3c(cc2Cl)OCO3)OC[C@@H]1CC,0
CN(C)c1ccc(/C=C/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)n1,1
CCCn1c(=S)sc2c1nc(C)n1c(Nc3ccccc3)nnc21,1
ON=C1CCCC1,0
CCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2,1
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,0
O=C(O)CCN1C(=O)c2ccccc2C1=O,0
COC(=O)C1C(C(=O)O)[C@H]2C[C@@H]1[C@H](Br)[C@@H]2Br,0
CC(=NNC(N)=O)c1c(O)[nH]c(C(C)C)c1O,0
C#CCCCCC#C[C@@H]1CCCC1=C1CC(=O)c2ccccc21,1
Cc1c(-c2ccc(O)cc2)n(CCCCCCNCCOC(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)c2ccc(O)cc12,1
O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1,0
N=C1CC(=O)C(=O)c2cccnc21,1
CN1CCc2c(c3ccccc3c3ccccc23)C1,1
O=Nc1c(NO)ccc2nn(-c3ccccc3)nc12,1
CNC(c1ccccc1)C(O)c1ccccc1,0
CN(C)CCN=C(O)c1cccc2nc3c(Cl)cccc3nc12.Cl,1
COc1cc(C2c3cc4c(cc3C(Nc3ccc5c(c3)OCCO5)C3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C1C(Cl)=C(Oc2ccccc2)C(=O)c2ccccc21,1
OC(c1ccccc1)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1C(O)c1ccccc1,1
O=C(O)c1cc(Cl)nc(Cl)c1,0
CN(CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1ccccc12)CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1ccccc12.Cl,1
S=c1[nH]c(Cl)c(Cl)cc1Cl,0
CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC,1
C1C[SH]2CC[SH]1CC2,0
N#CC(C#N)N=Nc1ccc(C(=O)O)cc1,0
Cc1ccc2nc(N)nnc2c1,0
COc1ccccc1N1CCN(C(C)C)CC1,0
C=CCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,0
NC(=O)SCC(=O)Nc1ccc(C(=O)O)cc1,0
CC(=O)C=Cc1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1,1
Cc1cc(O)c(C)c(C)c1Cl,0
S=C(Cc1cccnc1)N1CCOCC1,0
O=C1OCCN1/N=C/c1ccco1,0
O=[N+]([O-])c1cc(Cl)cnc1Br,1
Nc1nc(=S)c2ncn(C3CC(O)C(CO)O3)c2[nH]1,1
COc1ccc(C(c2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)c2ccc(C(C)C)cc(O)c2=O)cc1,1
Nc1ccc(F)cc1[N+](=O)[O-],0
CC(Br)c1ccccc1,0
O=[N+]([O-])c1cccc2c1[nH]c1c(-c3ccccc3)nccc12,1
COC(=O)CCc1c[nH]c2ccc(N(CCCl)CCCl)cc12,1
ON=C(O)c1ccncc1.[Na+],0
CC(SC(C)C(=O)N/N=C/c1cccc(F)c1)C(=O)N/N=C/c1cccc(F)c1,0
CN(C)CCNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl,1
O=C(CC(=O)c1ccccc1)CC(O)(c1ccccc1)c1ccccc1,1
O=C(CS(=O)(=O)Cc1ccccc1)c1ccccc1,0
Cc1ccc2nc(Cl)cc(=O)n2c1,0
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)c(OC)c2)ccc1OC(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2,0
CCc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,1
CCCCCCN(CCCCCC)C[C@H](O)c1cccc2ccc(Cl)cc12.Cl,1
CC[C@@]1(O)CCC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3C(=O)C[C@@]21C,0
C[C@]12CC[C@@H]3c4cc(I)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,1
CSc1nc(=O)c(Nc2ccccc2)c(O)[nH]1,0
COc1ccc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2ccccc12.Cl,1
O=C(O)c1cccc2c1C(=O)N(c1ccc3c(c1)Cc1ccccc1-3)C2=O,0
CC(C)(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)N1CCN(c2ccccc2)CC1,1
Oc1[nH]c(O)c2c1-c1[nH]c3ccccc3c1[C@H]1CCC[C@H]21,1
COC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]c1N/N=C/c1c(Cl)cccc1Cl,1
CCOC(=O)C(C=Nc1ccc2[nH]nnc2c1)C(=O)OCC,0
CCCCCCCCC=CC1CCC(CN(C)C)C1=O.Cl,1
Nc1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])ccc1-2,0
CC(C)NC[C@H](O)COc1ccc(O)c(O)c1.Cl,0
O=[N+]([O-])c1ccc(Sc2ncnc3[nH]cnc23)c2nonc12,1
O=C(O)c1cnn(-c2ccccc2)c1-n1nnc2ccc(Cl)cc2c1=O,0
CCCCCCOC(=O)c1ccccc1Cl,0
Nc1ccc2oc(=O)c(C(=O)O)cc2c1,0
COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl,1
Cc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cn1,0
CC(CO)(CO)c1ccccc1,0
CC1(C)COC(c2cc3c(cc2Br)OCO3)OC1,0
S=C(NN=C(c1ccccc1)c1ccccn1)Nc1cccc(Cl)c1,1
CC(C)C1CCC2C(CCC3C(C)(CN)CCCC23C)C1,1
COc1ccc(-c2c(C)c(C(=O)O)nc([C@@H]3C=Cc4c(O)c(OC)c(N)c(O)c4N3)c2N)c(O)c1OC,1
O=C(NCCO)c1cc2ccccc2cc1O,0
COc1ccc(S(=O)O)cc1NC(C)=O,0
O=C(CCCCC(=O)OC[C@@H]1CCCO1)OC[C@@H]1CCCO1,0
NC(=O)c1cn(C2CC(O)C(CO)O2)c2ncnc(N)c12,1
N#C/C(=C\c1cc2ccccc2c2ccccc12)c1ccccc1,1
COc1ccc2c(c1)nc1n2[C@H](c2c(F)cccc2Cl)SC1,1
Cc1c2cc[nH]cc2c(C)c2c1nc1ccc(OC(C)C)cc12,1
Cc1ccc(S(=O)(=O)NN=CC(=Cc2ccc(Cl)cc2)CC(C=NNS(=O)(=O)c2ccc(C)cc2)=Cc2ccc(Cl)cc2)cc1,1
CCOC(=O)Nc1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O,0
c1ccc2c(c1)COC(=NN=C1Nc3ccccc3CO1)N2,0
C(=C1c2ccccc2-c2ccccc21)c1ccccn1,1
NC(=O)c1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1,1
Br[Sb]12(SC(N3CCCCC3)=[SH]1)SC(N1CCCCC1)=[SH]2,1
CN1CC[C@](O)(c2ccccc2)C(C(=O)c2ccccc2)C1,0
CCOCc1cnc(C)nc1N,0
CCCC[Sn+2]CCCC.Nc1nccnc1C(=O)[O-].Nc1nccnc1C(=O)[O-],1
CC(=NNC(=S)NCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,1
COc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1OC,0
COc1ccc(Cc2ncc(-c3ccc(N)cc3)o2)cc1OC,0
O=S1(=O)c2ccccc2N(c2ccccc2)c2nc(CSc3nc4ccccc4s3)nn21,0
CCC(=O)Oc1c(Br)cc(C(C)(C)C)cc1Br,0
CCOC(CCC#N)c1ccccc1,0
CC(=NNC(=S)NCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,1
CCN(CC)CC(Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1,0
CC1(C)CC(N2CCOCC2)=CC(=S)N1,0
COC(=O)/C=C1\Sc2ccccc2NC1=O,0
Oc1c(Cl)ccc2cccnc12,1
CCCCC(C#N)C(N)=O,0
CN(C)c1ccc(C2N(C)CCN2C)cc1,0
O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,1
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CC1,0
COc1nc(N)c(N=O)c(OCc2ccccc2)n1,1
COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O,0
COc1ccc(N=C2CC(=O)C(=O)c3ccccc32)nn1,1
CN(C)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1,0
O=C1CCCc2ccccc21,0
CC=Cc1ccc(O)c(OC)c1,0
Cc1ncc(CO)n1Cc1ccc(Cl)cc1,0
Cc1ccc2nc(-c3ccc(N=NNc4ccc(-c5nc6ccc(C)c(S(=O)(=O)O)c6s5)cc4)cc3)sc2c1S(=O)(=O)O,0
O=c1oc(-c2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc12,0
CC(C)n1c(=O)[nH]c(=O)n1C(C)C,0
O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-],1
O=c1[nH]c(O)c(-c2ccccc2)[nH]1,0
O=C1C2CC[C@@H](C1Br)C2C(=O)O,0
C=CCN1C(C)(C)NC(=S)C1(C)C,0
COCCCN=C1S[C@@H](c2cccs2)NC(=O)C1C#N,0
CN(C)CCOC1(CC2CCCCC2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,1
Oc1ccc(Cl)cc1C(c1cc(Cl)ccc1O)C(Cl)(Cl)Cl,1
Ic1ccc(-c2ccccc2)cc1,0
C[C@H](O)CO[C@H](C)CO[C@H](C)c1ccccc1,0
CS[C@H]1SCC2C(=O)N(C)[C@@]3(C[C@H]3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)[C@@]1(C[C@H]1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C,1
O=C(CC(=O)c1ccccc1)CS(=O)(=O)c1ccccc1,0
O=C(O)C1CC(Br)C(Br)CC1C(=O)O,0
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1.CCS(=O)(=O)O,1
Cl.O=C1C(Br)=C(N2CCN(CCOCCO)CC2)C(=O)c2c(O)ccc(O)c21,1
CN1C(=O)C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc21,0
C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](OC(=O)/C=C/c1ccccc1)C/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O,1
C=C1Cc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
CSc1c(C#N)c(N)nc2c(N=Nc3ccc(Br)cc3)c(N)nn12,1
CCCCCCCCOP(OCCCCCCCC)OCCCCCCCC,0
CCOCC1(CCc2ccccc2)C(=O)NC(=S)NC1=O,0
O=C1NC(=O)C2(CCCC2)N1,0
CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3,0
OC[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12,0
Clc1cccc(Cl)n1,0
CN(C)CC1CCCC(=Cc2ccc(Cl)cc2)C1=O.Cl,1
C[C@]12CC/C(=N\OCCN3CCCCC3)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,1
CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccccn1,1
Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(F)cc2)c(N2CCCCC2)c1=O,1
CCCC[Sn+2]CCCC.Cc1ccc(C(=O)[O-])c([O-])c1,1
Cn1c(=O)c2c(nc(NN=CC(Cl)Cl)n2C)n(C)c1=O,0
CCOC(=O)C1(C(=O)OCC)NC(=O)CC1C,0
CSc1nc(N)c2c(n1)N(C)C=NS2(=O)=O,0
COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCCOc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1,0
O[C@@H]1CCCN1Cc1cc2cc3c(cc2c2cc(OCc4ccccc4)ccc12)OCO3,1
COC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1,0
CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,0
COC(=O)C#Cc1ccc([N+](=O)[O-])cc1,1
O=c1[nH]c(O)c(Nc2ccccc2)c(=O)[nH]1,0
ClC(Cl)(Cl)C1=NCc2nnn(Cc3ccccc3)c2N1,0
O=S1(=O)CC(O)C1,0
C#C[C@]1(O)[C@H](O)[C@@H](n2ccc(N)nc2=O)O[C@@H]1CO,1
C=CCNC(=S)N=CC(C(=O)c1ccccc1)c1ccccc1,0
CCNC(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C,0
N#CC(C#N)=Cc1ccc(C=C(C#N)C#N)cc1,0
CC(=CC1=NC(=S)NC1=O)Cc1ccccc1,0
CC(=O)Nc1ccc2c(c1)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl,0
CCN(CC)Cc1cc(Nc2ccnc3ccc(OC)cc23)ccc1O.Cl,1
CSc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,0
COc1cccc([C@H](C#N)NCCCN[C@H](C#N)c2cccc(OC)c2OC)c1OC,0
Cl.N=C(N)n1ncc2c1CCCC2=O,0
CS(=O)(=O)OCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)CC1OS(C)(=O)=O,0
Cn1c(=O)[nH]c(O)c(N=Nc2ccc(Cl)cc2)c1=O,0
O=C(NC(Cc1nn[nH]n1)C(=O)OCc1ccccc1)OCc1ccccc1,0
CCOC(=O)c1c(N2CCN(C)CC2)[nH]c(=O)c(C=Nc2cc(Cl)cc(Cl)c2)c1O,0
Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc(O)cc1O)SC(=N)N2,1
CC(=N)NS(=O)(=O)c1ccc(N)cc1,0
N=C1CSC(=N)N1,0
COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC,0
CC1(c2ccc(Br)cc2)NC(=O)NC1=O,0
O=C(O)/C=C\C(=O)O.O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1,1
Cc1[nH]n(-c2nc(-c3ccccc3)c(C#N)c(=O)n2C)c(=O)c1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O,0
CCN(CC)c1ccc(C(=N)c2ccc(N(CC)CC)cc2)cc1.Cl,1
COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(N(C)C)cc1,0
COc1ccccc1/C=C1\COc2ccc(-c3ccccc3)cc2C1=O,1
CC1CCCCC1(O)C[N+](=O)[O-],0
Cc1ccc(S(=O)(=O)CS(=O)(=O)c2ccc(C)cc2)cc1,0
COC(=O)C1=NNC(C(=O)OC)[C@@H]1c1ccccc1,0
O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1,0
Cc1cc(NO)cc(C)[n+]1[O-],0
CCCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1,1
CO[C@@H]([C@H](C)[C@H]1OC(=O)CC=CC(C)=C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H]1C)[C@H](C)CCC(=O)C(C)[C@@H](C/C=C/N(C)C=O)OC,1
N#CNc1ccccc1.[Na+],0
CN1CCN(C(c2ccccc2)c2ccccc2)CC1,0
N#Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12,1
OC(CCCCCCCCC(O)CN1CCc2ccccc2C1)CN1CCc2ccccc2C1,0
CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
[CH2-]C(=O)C1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O.[Na+],0
COc1ccc(N[P@]2(=O)OC[C@@](C)(N)CO2)cc1,0
Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1(O)C(=O)C(C(=O)NCNc3ccc(C(N)=O)cn3)C(=O)C(N(C)C)C1C2,1
Cc1ccc(C2SCc3nc4ccccc4n32)cc1,1
Nc1ccc(Cl)cc1C(=O)O,0
CCOC(=O)C1=C(C)CC(=O)C[C@H]1C,0
COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1O,1
CC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
Nc1ccccc1C#C/C=C\C#CC#C/C=C\C#Cc1ccccc1N,1
CCN(CC)CCSc1c(C(C)=O)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1,1
Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1C=O,1
C1CCC(N2OC23CCCCC3)CC1,0
CCOc1ccc(C(=O)C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1,0
CC(C)N(Cc1ccccc1)c1c(S)ssc1=S,1
O[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1[C@@H](O)c1ccccc1,1
S=c1nc(-c2ccc(Cl)cc2)cc(-c2ccco2)[nH]1,0
Cc1cccnc1N,0
CCOn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21,1
CCCCCC#CCN(CC)CC,0
O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
C=C1CC2(OC1=O)c1ccccc1CCc1ccccc12,1
Cl.O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1,1
Cc1ncnc(N)c1CCCNc1ccccc1,0
CCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1,0
CC(=O)N1N=C(c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ccc(Cl)cc4)n3)cc2)C[C@H]1c1ccc(N(C)C)cc1,1
Cc1cc(C)c(C#N)c(=O)[nH]1,0
O=C(CCn1ccnc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O,0
Cc1ccccc1NC[C@H](C)O,0
N#Cc1c[nH]c(=O)[nH]c1=O,0
C1CCC23CCCCC2(C1)O3,0
O=[N+]([O-])c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2O)cc1.[Na+],0
CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)c1ccccc1,0
CCC[C@@H](C)C(C(=O)OCC)C(=O)OCC,0
N#Cc1c(Nc2ccc(F)cc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-],1
Clc1ncnc2c1ncn2[C@@H]1CCCO1,0
NC1CCN(c2nc3ccccc3c3c2CCCC3)CC1.O=C(O)/C=C/C(=O)O,1
CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1,1
O=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2O)nc1,1
N#Cc1c(NN)n(C2OC(CO)C(O)C2O)c2ncnc(N)c12,1
CC(=O)Nc1ccc(S(C)(=O)=O)cc1,0
O=C(Nc1ccc(N=C=S)cc1Cl)c1cc(Cl)cc(Cl)c1O,0
CN(C)c1cc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-],1
COc1cc([C@H]2c3cc4c(cc3O[C@H](NNc3ccccc3)[C@@H]2C)OCO4)cc(OC)c1O,1
CC(=O)OCCCOCCCOc1ccccc1,0
CCOc1cccc(C=Nc2ccccc2SSc2ccccc2N=Cc2cccc(OCC)c2O)c1O,1
CCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1,0
CC(=NNC(=S)N(C)C)c1cccnn1,1
COCC(C#N)NC1CC(OC2CC(O)(C(=O)CO)C=C3C(=O)c4c(c(O)c5c(OC)cccc5c4O)C(=O)C32)OC(C)C1O,1
CCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12,1
COc1cc([C@H]2c3cc4c(cc3[C@@H](NCCN3CCOCC3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
Nc1cc(=O)[nH]c2ncnn12,0
COc1ccc(CN2CCNCC2)c(OC)c1OC.[Cl-].[Cl-].[H+].[H+],0
NCC1CC2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl.O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O,1
COc1ccc(/C(Cl)=C(\C=O)c2ccc([N+](=O)[O-])cc2)cc1OC,1
CC(C)(C)c1cc(NCc2cccnc2)n(-c2ccccc2)n1,0
CS(=O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COS(C)(=O)=O,0
CCCCNCc1ccc(N(CC)CC)cc1.Cl,0
O=C(Nc1ccc(Br)c2ccccc12)c1ccc2ccccc2c1O,1
SCc1nc2ccccc2[nH]1,0
Cc1cc(Cc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1,0
C=C[C@]1(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O,1
NNc1cccc(/C=C/c2ccccc2)cc1=O,1
Cc1cc(C)c(S(=O)(=O)N(CCCN)OCCON(CCCN)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1.Cl,1
O=C1COc2cccnc2N1,0
CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1,0
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCCCC1)OO5,1
O=P(O)(O)O.OC(c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)C1CCCCN1,1
Cc1c2cc[nH]cc2cc2c1nc1ccccc12,1
O=C(O)C(c1ccccc1)C(O)(CCl)c1ccccc1,0
C[C@]12CC[C@@H]3c4ccc(OP(=O)(N5CC5)N5CC5)cc4CC[C@H]3[C@@H]1CCC2=O,0
COc1cc(C(=O)NN=CC(=O)O)cc(OC)c1OC,0
Cl.O=C1C(=Cc2ccccc2)CCCC1CN1CCCCC1,1
O=C1C(Cl)=C(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc21,1
Cc1ccc(C=NNc2ccc([N+](=O)[O-])cn2)cc1,0
Oc1c2c(c(O)n1-c1ccccc1)C1c3ccccc3C2c2c1c(O)n(-c1ccccc1)c2O,1
Cn1c(=O)c2[nH]c(Nc3cccc(Cl)c3)nc2n(C)c1=O,1
CCOC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O,0
[O-][S@@+](Cc1ccccc1)c1ccccc1,0
Cc1ccc(NCCCN2CCN(CCCNc3ccc(C)c4sc5ccccc5c(=O)c34)CC2)c2c(=O)c3ccccc3sc12,0
CCC1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
CCCCCCCCCCCCO[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@@H](CC(=O)NCCN1CCCC1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1,1
CCCCCC=CCC=CCCCCCCCCNC(=O)Nc1ccc(OCC)cc1,0
Cc1ccc(C(SCC(N)C(=O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,1
CC(=O)N1N=C(c2ccc(Nc3nc(Nc4ccc(Cl)cc4)nc(Nc4ccc(Cl)cc4)n3)cc2)C[C@H]1c1ccc(Cl)cc1,0
CCOC(=O)N1CCC(=O)CC1,0
CN(C)c1ccc(C(=O)NCCCCCCC(O)=NO)cc1,1
CC1(C)[C@H]2CC[C@@]13C(=O)C1O[C@]3(C2)c2c1c(O)c1cccc(O)c1c2O,1
CCCC/C(=N\OC(=O)N(C)C)c1ccccc1,0
O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccccc1,0
CCOC(=O)CCC(=O)c1c2cccc(O)c2c(O)c2c(O)cc(C)cc12,1
CC(=NNC(=S)N(C)C)c1ccccn1,1
ClC1=C(Cl)C(Cl)=C(Cl)C1=Cc1ccc(Cl)cc1,1
Cc1cc(C)n2c(=O)[nH]nc2c1,0
O=C1C(Cl)=CC(=Nc2ccc(O)cc2)C=C1Cl.[Na+],0
CCCCNP(=O)(N1CC1CC)N1CC1CC,0
CC(=O)O[C@@H]1O[C@@H](c2c3cccc(O)c3c(O)c3c(O)cc(CO)cc23)[C@@H](O)[C@H](O)[C@@H]1O,1
CN(C)C(=S)SCCCCCC(=O)O,0
Oc1ccc(C(=Nc2ccccc2)c2ccccc2)c(O)c1,0
CCCCCCCCCCCCCCCC/N=C/c1ccc(Cl)c(Cl)c1,0
CCOP(=O)(Nc1ccc(C)cn1)OCC,0
COc1ccc(C2CCCCCC2OS(=O)(=O)c2ccc(C)cc2)c(OC)c1OC,1
CCCCCCCCCCCN,0
CO[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1,0
CC(C)C(=O)[O-].CCCC[Sn+](CCCC)CCCC,1
O=C1NC(=O)[C@@]2(CCCc3ccccc32)N1,0
NCC(O)c1cccc(O)c1,0
CSc1ccccc1N[P@]1(=O)OC[C@](C)([N+](=O)[O-])CO1,0
CC[C@@]1(C(N)=O)C[C@@H]2C=C[C@H]1CC2,0
O=C(c1ccc(O)cc1O)c1ccc(O)cc1O,0
O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)o1,1
O=C1OC(=O)c2c(I)cccc21,0
Cc1ccc2nc(C)cc(C)c2c1.O=S(=O)(O)O,0
O=C1Nc2c(ccc(Cl)c2Cl)/C1=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1,1
O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc1,0
Nc1cc2c(cc1Br)-c1cc(Cl)ccc1C2=O,0
O=C(C[C@@H]1C=CCC1)Nc1ccccc1,0
Cc1cc(N)ncc1[N+](=O)[O-],0
CCOC(=O)c1[nH]c(Br)c(-c2ccc(Br)cc2)c1Br,1
Nc1nc(N)nc(Oc2ccccc2)n1,0
[Cl-].c1ccc2c(c1)Nc1ccccc1[P+]21c2ccccc2Nc2ccccc21,1
ClCCOCOc1ccc2ccccc2c1,0
CCCC(=O)Oc1cccc(CC)c1,0
CO[C@@H]([C@H](C)[C@H]1OC(=O)CC=CC(C)=C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H]1C)[C@H](C)CCC(=O)C(C)[C@@H](CC(=O)O)OC,1
O=C1c2ccccc2C(=O)c2c1sc1nc3ccccc3n21,1
Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1,0
Oc1ccc(Cl)cc1CNC1CCCCC1,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCn3cnc4ccccc43)cc2)n1,0
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]c(=O)c12,0
O=S(=O)(O)c1c(Cl)c(Cl)c(O)c2ncccc12,1
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],1
Cc1cccnc1NS(=O)(=O)c1ccccc1,0
O=c1[nH]c2ccc(Br)cc2o1,0
O=C(O)[C@@]1(Br)CC12c1ccccc1-c1ccccc12,0
COc1cc(C=C2N=C(c3ccccc3)N(c3cc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)ccc1O,1
CS(=O)(=O)N1CCCC[C@H]1CCN1CCCCC1,0
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)CC[C@@H]4[C@H]3CC[C@]12C,0
O=[N+]([O-])c1ccc(C(Cl)C(Cl)c2ccc(C(Cl)C(Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1,1
N#C[C@@H]1c2ccccc2C=CN1C(=O)N(c1ccccc1)c1ccccc1,1
CN(C)c1ncnc2c1nnn2C1OC(CO)C(O)C1O,1
O=c1c(O)c(N[C@H]2C=C[C@@H](CO)C2)c1=O.[Na+],0
CN(C)c1ccc(/C=c2/c3ccccc3n3c2c2c([n+]3C)CCCC2)cc1.O=S(=O)([O-])C(F)(F)F,1
CC(C)Oc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
Cc1ccc(S(=O)(=O)NN=C2C(=O)C3CC[C@@H]2[C@@H]3Cl)cc1,0
CCCCCCCCCCCOCC[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](C)OCCN1CCCC1,1
COC(=O)CCN(c1ccccc1)c1ccc(C)cc1,0
CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c23.Cl,1
CC(C)(C)OC(=O)NC(CSCc1ccccc1)C(=O)On1c(O)ccc1O,0
CCN(CC)c1ccc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)cc1,1
Cc1c2cc[n+]([O-])cc2c(C)c2c1[nH]c1ccccc12,1
CC(O)C(=O)O.O=c1c2cc(O)ccc2n2nnc3ccc(NCCNCCO)c1c32,1
COc1cccc(C(=O)NNC(=O)c2cccc3ccccc23)c1,0
Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-],0
Clc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1Cl,1
CCOCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
O=C1NC(=S)SC1=Cc1ccccc1,0
Nc1cc[nH]c(=O)n1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1.CCS(=O)(=O)O,1
COc1ccc(C(=O)N2C=Cc3ccccc3[C@H]2C#N)cc1,0
CN(C)CCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12.Cl,1
Cc1cc(=O)n(-c2ccccc2C)[nH]1,0
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.O.O.O.O.O.[Cl-].[Cl-].[H+].[H+],0
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,1
Cc1ccn2c(=S)[nH]nc2c1,0
O=C1OCCN1N1CCOC1=O,0
CCS(=O)(=O)O.CN(C)C(=O)c1cccc(COc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2Cl)c1,1
CCOC(=O)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1,1
Oc1ccc(C(=C(Br)c2ccccc2)c2ccc(O)cc2)cc1,1
O=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1,0
Cn1cnc(C(N)=[Se])c1N,1
O=C(Nc1ccc2[nH]c(=S)sc2c1)Nc1ccccc1F,0
NCCNCCNCCN,0
c1ccc(CC(Cc2ccccc2)C2=NCCCN2)cc1,1
COc1ccc(CNc2ccccn2)cc1,0
CNC(=O)Oc1cc(C)c(OC(=O)NC)cc1C,0
Nc1nc(N)c(N)c(N)n1.O=S(=O)(O)O,0
Cc1ccccc1N=C(N)Nc1ccccc1C,0
COC(=O)C(Br)C(O)c1ccc(OC)c(OC)c1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc5c(c3)OCO5)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
Nc1ccc2cc3ccc(N)cc3nc2c1.O=S(=O)(O)O,1
O=c1nc2n(CCO)c3ccccc3cc-2c(=O)[nH]1,0
CC(=O)Nc1ccccc1C(C)=O,0
CCc1ccc(OC(=O)CCl)cc1,0
CN(C)c1ncnc2c1[C@H](c1ccccc1)C(C)(C)O2,0
CC(=O)Oc1c(-c2ccccc2)oc2ccccc12,1
CC1([N+](=O)[O-])COP(=O)(NC2CCCC2)OC1,0
O=C1N=C(Cc2ccc(Cl)cc2Cl)C(=O)N1,0
CCOc1ccccc1C(N)=O,0
NC(=S)NN=C1C=CCCC1,0
O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1ccccc1,0
CCCC[Sn+](CCCC)Sc1ncccc1C(=O)[O-],1
Cc1cc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ncc(Cl)cn1,1
O=[N+]([O-])c1ccc(C2CC(c3ccccc3Cl)=Nc3ccccc3S2)cc1,1
N#CSc1ncnc2[nH]cnc12,1
Nc1nc(-c2ccccc2)ns1,0
c1ccn(CCc2ccncc2)c1,0
COc1cc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC,1
Cc1ccc(C=NNc2cc(C)c3cccc(C)c3n2)s1,1
O=C1CN(CN2CCOCC2)C(=O)CN1CN1CCOCC1,0
Cc1cccc(C)c1N1C(N)=NC(N)=NC1(C)C,0
CCCCCCNP(=O)(OCC)OCC,0
CS(=O)(=O)OC1C(COC(=O)c2ccccc2)OC2C1Oc1nc(=O)ccn12,0
NS(=O)(=O)c1ccc(-n2ncc3c(NNC(=O)Nc4ccc(Cl)cc4)ncnc32)cc1,0
CO[C@H]1C[C@H](C)[C@@H](Cl)[C@@H](C)[C@H]1/C=C/C(=O)O,0
Nc1c[nH]c(=S)nc1N.O=S(=O)(O)O,0
CC(C)(C)COC(=O)c1ccccc1,0
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(OC(=O)OCC[C@@H](O)CO)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1,1
CCOC(=O)C1C(C(F)(F)F)=NC(=S)N[C@H]1CN1C(=O)c2ccccc2C1=O,0
CC(=NNc1ccc2ccccc2n1)c1ccccn1,1
COc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)cc(OC)c1OC,1
COc1cc2c(cc1OC)C(SC)C(=O)N(Cc1cccc(OC)c1OC)CC2,1
C#CC(C)ON1C(=O)c2ccccc2C1=O,0
Cc1ccc(S(=O)(=O)N(C)CCC#N)cc1,0
O=c1c(=NO)c([N+](=O)[O-])c[nH]n1-c1ccccc1,1
O=S(=O)(O)c1cc2onnc2c2ccccc12,0
O=[N+]([O-])/C(Cl)=C/C(C(=Nc1ccccc1)Nc1ccccc1)[N+](=O)[O-],1
CCN(CC)CCN(/C(=N/c1ccccc1)N1CCCCC1)c1ccccc1,1
CSc1cc(C)[o+]c(C)c1.[I-],0
CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,0
CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@H]1N1CCOCC1,0
COc1cc2c(C=C3C(=O)Nc4ccccc43)c(Cl)[nH]c2cc1C,1
CCOC(=O)c1oc2cc(O)cc(C)c2c1C,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NNC(=O)C1CCCN1.Cl,1
COc1cc2ccccc2cc/c1=N\O,0
OCC1(CO)COC(c2ccccc2)OC1,0
CC(=NNc1ccccc1)C(C)=NNc1ccccc1,0
C/C(=N\NC(=S)Nc1ccc(F)cc1)c1ccccc1,0
Cc1noc(NS(=O)(=O)c2ccc(N=Nc3ccc(N)nc3N)cc2)c1C,0
CCN(CC)CCNc1ccc2ncn3c4c(OC)cccc4c(=O)c1c23,1
COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,0
COCOc1c(C(O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC,1
CC(=O)Nc1ccccc1-c1ccccc1,0
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1,0
O=C1NC(=S)NC(=O)C1=Cc1cccc2cc3ccccc3cc12,1
O=C(CN1C(=O)c2ccccc2C1=O)NC(Cc1ccccc1)C(=O)O,0
CCOC(=O)CC(C)C(F)(F)F,0
Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,1
CCCCCCNc1nc(N2CCOCC2)c2[nH]c(NCCCCCC)nc2n1,1
CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1-c1ccccc1,0
Cc1cc(S(N)(=O)=O)c(S/C(CC(C)C)=N\Nc2ccc([N+](=O)[O-])cc2)cc1Cl,1
O=C1CC/C(=C/COc2cc(=O)oc3ccccc23)O1,1
CC(=O)N=C1C(=O)c2nc3n(c2C(=O)C1C)CCC3OC(=O)c1ccccc1,1
O=[N+]([O-])c1ccccc1NCc1c(O)ccc2ccccc12,0
Cn1c(I)c(C#C[Si](C)(C)C)c(=O)[nH]c1=O,1
O=C1C=C(N2CC2)C(=O)C=C1N1CC1,1
CS(=O)(=O)O.Cc1cc(-c2c(F)cc3c4nn([C@H]5CC[C@@H](N(C)C)CC5)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1,1
Cn1c2c(Cl)c(Cl)ccc2c2cn[nH]c(=O)c21,0
N#CCCNC(N)=O,0
c1ccc2c(c1)nc(CN1CCOCC1)n1cc(N3CCCC3)nc21,0
CN(C)C(=O)Oc1cccc(Cl)c1,0
COc1cc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc(OC)c1OC,1
O=S(=O)(O)c1ccc(N/N=C/c2ccccc2Cl)cc1,0
COc1cc(N)c2ncsc2c1,0
CCOC(=O)C=Cc1ccc(C(=O)OCC)[nH]1,1
CCC1CN2CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(C(=O)OC)C5(CC)C=CCN6CCC43C65)CC(C2)C1C(C)(C)C,1
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1,0
C[C@@H]1CN(CCCO)CCN1,0
CC[N+](CC)(CC)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.[Br-],1
CCCNC(=S)Nc1ccccc1,0
CCOC(=O)c1c[nH]n2c(=S)ncnc12,0
C[C@@H]1[C@@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,1
C[S+]([O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
C=CCC(O)c1ccc(C(C)C)cc1,0
CCc1c(CNc2ccc(C(=O)NC(CC(=O)O)C(=O)O)cc2)ccc2nc(N)nc(N)c12,1
O=c1[nH]c2cnn(-c3ccccc3)c2c(=O)n1O,0
C=C(C)C(=O)OC1CC(C)=CC(OC(C)=O)CC(C)(O)CC2OC(=O)C(COC(C)=O)=C12,1
CC1(c2ccccc2)CO1,0
Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1,1
Clc1cccc(N=CNc2ccc(-c3nc4ccccc4s3)cc2)c1,1
CCN[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1,0
CNC(C)C(O)c1ccccc1,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)s1,0
Cc1c2cc[nH]cc2c(C)c2c1nc1ccc(OC(C)(C)C)cc12,1
Cc1cc(C)c([IH]c2c(C)cc(C)cc2C)c(C)c1,1
Cn1c(=O)c2c(nc(NN=Cc3ccccc3Cl)n2C)n(C)c1=O,0
Oc1cc(N2CC2)c(O)n1-c1ccccc1,0
O=c1cccc(C#CC#C/C=C/CO)o1,1
CCCC[Sn+2]CCCC.CN(Cc1ccccc1)C[C@H]([O-])C[O-],1
O=[N+]([O-])c1ccc(O)c(CBr)c1,0
C=CCN(C#N)CC=C,0
[O-][S+](Cc1ccccc1)Cc1ccccc1,0
O=C(O)c1ccc(Cl)c(Cl)c1,0
CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@]2(O)[C@@H](OC)CC(=O)C3C(=O)N(c4ccccc4)C(=O)[C@]132,1
O=C1NC(=S)NC(=O)C1=Cc1c[nH]c2ccccc12,1
CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O,1
Nc1c(Cl)ncnc1NCCO,0
NNC(=O)c1cccnc1,0
CN(C)CCCN1c2nc3ccccc3cc2Sc2cc3ccccc3nc21,1
C=CCc1c(Cl)nc(Cl)nc1Cl,1
Cc1ccc(S(N)(=O)=O)cc1N,0
COc1ccccc1/C=C/C(=O)C=Cc1ccccc1O,1
COc1ccc(-c2cnoc2-c2ccc(OC)c(OC)c2)cc1OC,1
COc1ccc2c(-c3ccc(OCCN(C)C)cc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1,1
COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)cc(OC)c1O,1
O=C(Oc1ccc(Cl)cc1Cl)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
Clc1ccc(-c2nc(-c3cc4cc(Cl)ccc4o3)cs2)cc1,0
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.O.[Cl-].[H+],0
O=C1c2ccccc2C(=O)N1CNc1ccc(Cl)cn1,0
O=[N+]([O-])c1ccc(S(=O)(=O)OCCCCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,0
CCCCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,1
O=S(=O)(NC1=NCCN1C(=S)SN1CCn2c1nsc2=S)c1ccc(Cl)cc1,1
O=C(O)c1cccnc1Br,0
O=C1C(Br)=Cc2c(Cl)sc(Cl)c21,1
COc1ccc2c(c1)CCCC(Br)C2=O,1
O=[N+]([O-])c1cn[n+]([O-])c2ccccc12,1
CC1(C)NC(=S)NC1=S,0
C=CCN(CC=C)C(=O)CCN1C[C@H]1C,0
CCOc1ccc(NC(=O)Nc2cc(C(C)C)ccc2C)cc1,1
CCC(C)CCC=C(C)C,0
CCCCCC[C@H]1N=C(N)N=C(N)N1c1ccc(Cl)cc1.Cl,1
O=c1cc(O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1,0
CC(=O)Nc1ccc(F)cc1F,0
Cn1c(N)nc(=N)nc1N,0
CC(=O)c1c(O)c(C(=O)O)c(C)oc1=O,0
CCOC(=S)SCc1ccc(Cl)cc1,0
[Cl-].c1ccc(N[n+]2ccc3ccccc3c2)cc1,0
O=[N+]([O-])c1ccc2cn(C3OC(CO)C(O)C3O)nc2c1,0
CC(=NNC(=O)c1ccccc1O)C1C=Nc2ccccc2S1,1
C/C(=N\OC(=O)N(C)C)c1ccc(Cl)c(Cl)c1,0
Nc1nc(=S)c2[nH]cnc2[nH]1.ON(O)c1ccccc1,1
CC(O)CNC(=O)Nc1ccccc1,0
O=c1[nH]cc(F)c(=O)[nH]1,1
CC(=O)OCC1CC2CC(O)C1C2,0
CCOC(=O)C(C(=O)OCC)(c1ccccc1)C1CCCC1,0
Cc1cc(N)nc(=O)n1[C@@H]1C[C@@H](O)[C@@H](CO)O1.Cc1cc(N)nc(=O)n1[C@@H]1C[C@@H](O)[C@@H](CO)O1,0
Nc1nc(N)c2cc(NCc3ccc(Cl)c(Cl)c3)ccc2n1,1
COc1ccc(C(=O)COc2ccc(/C=C3\CSc4ccccc4C3=O)cc2)cc1,0
CCOC(=O)N1CCN(CC(=O)Nc2cc3c(cc2N2CCOCC2)C(=O)NC(Cc2ccccc2)C(=O)N3)CC1,0
O=Nc1c(-c2c(O)[nH]c3ccc(Br)cc23)[nH]c2ccccc12,1
Fc1ccc(-c2cc(-c3cccs3)cc(-c3ccccc3)n2)cc1,0
CCOC(=O)c1ccc(NC2C3=C(C(=O)OC3)C(c3cc(O)c(O)c(OC)c3)c3cc4c(cc32)OCO4)cc1,1
COc1cc2c(c(O)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
COC(=O)C1C(=O)C(C(=O)OC)[C@]2(O)C(C(=O)OC)[C@H]1C[C@@H](c1c(Cl)cccc1Cl)C2C(=O)OC,1
Nc1nc(N)c(-c2ccc(Cl)cc2)c(C=Cc2ccc([N+](=O)[O-])cc2)n1,1
C#CCNc1ccc(C(=O)OCC)cc1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccccc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@+]([O-])c2ccc(O)cc2)CC(=O)O1,1
CC(=NNc1nc2cc(C(F)(F)F)ccc2s1)c1ccccn1,1
COc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1,0
CNc1c(C#N)c2c(N)ncnc2n1COCCOC,0
COc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c1.Cl,1
COc1ccccc1NC(=S)NN=Cc1ccccn1,1
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,1
CCOCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,0
Nc1nc(N)c2c(n1)N[C@H](c1ccc3c(c1)OCO3)CC(c1ccc(Cl)cc1)=N2,0
O=C1OCC/C1=C/c1ccc2c(c1)OCO2,0
CC1(C(C)(O)c2ccc(F)cc2)CC1,0
CN(C)CCNC(=O)c1cccc2nc3cccc(F)c3nc12.Cl,1
NC(=O)[C@@]12C(=O)NC(=O)[C@]1(C(=O)O)C21CCCC1,0
Nc1ccn(C2C=C(CO)C(O)C2O)c(=O)n1,1
CN1CCCNCC1,0
CC(=O)NC[C@@H]1CCCO1,0
COC(=O)CCN1CCN(c2cccc(Cl)c2)CC1,0
C[C@H]1CCC(=O)N1C,0
Cl.NCCCn1c2c(c3ccccc3c1=O)C(=O)c1cc3c(cc1-2)OCO3,1
CCCC(=O)Nc1cn(COC)c(C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]cc(C)c24)n1,1
O=C(CC(O)(C(F)(F)F)C(F)(F)Cl)CC(O)(C(F)(F)F)C(F)(F)Cl,1
NC(=O)Oc1cccc(OC(N)=O)c1,0
c1ccc(OCCN2CCNCC2)cc1,0
CCOC(=O)C(C=O)(C=O)c1ccccc1,0
COc1cccc2c1-c1ccccc1[C@H](Nc1ccccc1)[C@@]2(C)O,1
CC(=O)C[C@@H]1CCC[C@@H](CC(C)=O)N1C.Cl,0
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)NCCN(C)C.Cl,1
Cc1cc(C)n2c(C)nnc2c1,0
CCC(CC)C(=S)N1CCN(c2ccccc2)CC1,0
CCOC(=O)C(=Cc1ccco1)C(=O)OCC,0
CN1C(=O)[C@]23CC4=CC=C[C@@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3,1
CN(C)CCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12,1
CCCCSc1nc(=O)cc(C(=O)O)[nH]1,0
COC(=O)c1ccc(C)cc1CC1Cc2c(C)cccc2C1=O,1
Cc1c[n+]2ccccc2n1C.[I-],0
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@H]1OC)[C@H](OC)[C@@](C)(O)C3=O,1
COc1cc2[nH]c(-c3cccc(N(C)C)c3)cc(=O)c2cc1OC,1
COc1cc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc(OC)c1OC,1
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNC(=O)C(O)C(O)C(O)C(O)CO)ccc(NCCNC(=O)C(O)C(O)C(O)C(O)CO)c21,1
CCCCCCc1cc(O)cc(O)c1,0
C[C@]12Cc3c([nH]c4ccccc34)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@@H]12,1
COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1CCCC1C(=O)N3)N=CC1CCCN1C2=O,1
O=Nc1ccc(O)cc1,0
C=C[Sn+2]C=C.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12,1
OC[C@H](O)COc1ccc(Cl)cc1,0
NN=C1c2ccccc2-c2ccc(N)cc21,0
O=Cc1cccc(Cl)c1Cl,0
O=C(c1cccnc1)C1Cc2ccccc2C1=O,0
CCOCc1cc(=O)[nH]c(SC)n1,0
O=C1C=CC2=[N+]([O-])C(c3ccccc3)(c3ccccc3)/C(=N/c3ccccc3)C2=C1,1
COc1cc(/C=C/C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2,1
C[n+]1cccc(O)c1.[I-],0
CC(C)NCC(O)c1ccc2ccccc2c1.[Cl-].[H+],0
Cc1onc2c(-c3ccccc3)n[nH]c(=O)c12,0
COc1cc(C2c3cc4c(cc3C(Nc3ccc5c(c3)OCO5)C3COC(=O)C23)OCO4)cc(OC)c1O,1
N#CCCNC(=S)Nc1ccccc1,0
c1ccc(CNC2CN3CCC2CC3)cc1,0
O=C1C(=NO)CCCc2ccccc21,0
Cc1[nH][nH]c(=O)c1C,0
CCOC(=O)[C@@]1(Cc2ccccc2C#N)CCCCC1=O,0
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O,1
CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1.Cl,1
NC(=O)C1C[C@H]2C=C[C@@H]1C2,0
CCOc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1,1
N#CCCOC(=O)Nc1ccccc1,0
Cl.N=C(N)N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sccn12,1
O=C(O)C1c2ccccc2-c2ccccc21,0
ClCc1nn(-c2ccccc2)c(CCl)c1CCl,1
OC[C@H](O)[C@H](O)CC1SCCS1,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/c1ccccc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)C2=C(O)OC[C@@H]21)OCO3.Cl,1
COc1ccc(-c2oc(=O)ccc2C#Cc2cc(OC)c(OC)c(OC)c2)cc1F,0
O=S(=O)(CS(=O)(=O)Oc1ccccc1)Oc1ccccc1,0
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC,1
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(F)c1,1
Cc1ccc(C(C)C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1,1
N#Cc1c(N)sc(=S)c2c1CCCC2,0
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1.Cl,1
CCN(CC)CCSCCN(CC)CC,0
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O[C@H]3C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@@H]3O)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,0
Cc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccc4ccccc4c3)[C@@H]3OC(=O)c4ccccc43)sc2c1,1
O=C1NCN(c2ccccc2)C12CCN(CCCN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)CC2,1
c1ccc(-c2ccncn2)cc1,0
CCOC(=O)n1c(-c2ccc(Cl)cc2)c(O)[nH]c1=O,0
Cc1cc2c(s1)CCC[C@H]1CC(=O)N(CN3CCN(C)CC3)N=C21,0
CCC(CCOc1ccccc1)(C(=O)O)C(=O)O,0
CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,0
CN(NC(=O)NN(C)C(=O)c1ccccc1)C(=O)c1ccccc1,0
COc1ccc(C(=O)N=C2C(=O)c3ccccc3C(=O)C2Cl)cc1,1
C=C[C@@H](CN1CC1)OC(C)=O,0
Cc1cccc2cc3cccc(C(=O)NCCN(C)C)c3nc12.Cl,1
O=C(Nc1cccc2ccccc12)c1cc2c(cc1Br)OCO2,0
COC1=NCN=C2SCC(=N)N=C12.Cl,0
Sc1ccc2ccccc2c1CNC1CCCCC1,0
Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O,0
Nc1nn(C(=O)c2ccncc2)cc1-c1ccccc1,0
O=C(NN=Cc1cc(Cl)ccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1,1
COc1c(O)cc2c(O)c1C=C(C)C[C@@H](OC)[C@@H](OC(=O)CCN)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)N2.Cl,1
COC(=O)c1c(OC(C)=O)ccc2c1c1c(OC(C)=O)c3ccccc3c(OC(C)=O)c1n2Cc1cc(OC)cc(OC)c1,1
CN(C)CCO[C@]1(Cc2ccc(Cl)cc2Cl)CC[C@H](C(C)(C)C)CC1.Cl,1
C=C(C)C(OC(C)=O)OC(C)=O,0
CC(C)(C)N(Cc1ccccc1)N=O,0
CCc1c(O)c(O)c(C(C)=O)c2c(O)c(-c3c(C)cc4c(CC)c(O)c(O)c(C(C)=O)c4c3O)c(C)cc12,1
O=C(CCl)N1CCCC[C@@H]1C1(c2cc3ccccc3[nH]2)OCCO1,1
CCCCC(CC)CCC(C)OC=O,0
CCN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1,0
CCOC(=O)CCN(CC(=O)OCC)C(C)C,0
N#Cc1c(-c2ccccc2)[nH]c(SC[C@@H]2CO2)nc1=O,0
CC(=O)CC(=O)N[C@@H]1CCc2ccccc21,0
C=CCOC(=O)/C=C\C(=O)NC(N)=O,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(CCO)CCO)c2c1,1
CCOC(=O)C(=O)C(=O)CC(=O)CC(C)C,0
O=[N+]([O-])/C=C/c1cc(Cl)c(/C=C/[N+](=O)[O-])cc1Cl,1
Nc1c(Cl)cc(S(=O)(=O)O)cc1Br,0
CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,1
Oc1ccc2ccccc2c1C(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12,1
O=C(CN1CCN(CCCOc2c(-c3ccccc3)oc3ccccc3c2=O)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl,1
CCC(=C(CC)c1ccc(OP(=O)([O-])[O-])cc1)c1ccc(OP(=O)([O-])[O-])cc1.[NH2-].[NH2-].[NH2-].[NH2-].[Pt+4].[Pt+4],1
Oc1cc(-c2ccccc2)cn2c1nc1ccccc12,1
COc1cccc(C2c3cc4c(cc3OC(C)(O)C2C)OCO4)c1O,1
O=C(O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@H]1O,0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O,1
Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=S,0
C[C@@H]1CCC[C@@H](C)N1CCOc1cc(N)ccc1C#N.O=P(O)(O)O,0
COC(=O)CC1=CC[C@@H](n2cc(F)c(-n3cncn3)nc2=O)O1,0
CCCCCCCCC(=O)C(C)C,0
Cc1cc2c(cc1C)Nc1c(oc(-c3cccc(O)c3)c1O)N2,0
CC(C)C(NC(=O)c1ccccc1)C(=O)O,0
CC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O,0
O=C(Nc1ccc2ccccc2c1)c1cccc(F)c1,0
COC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OC,1
CSc1cc(C)nc(SC)n1,0
C[C@H](O)c1cccc(N)c1,0
CC1(C)S[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-].CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.[K+],0
O=S(=O)(O)C(C(I)I)S(=O)(=O)O,0
Cc1c(Cl)cccc1NS(=O)(=O)c1ccccc1,0
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC,0
O=[N+]([O-])/C=C\c1c[nH]c2ccc(OCc3ccccc3)cc12,1
CC(=O)Nc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1,1
CSc1nc2[nH]c(=O)[nH]c(=S)c2[nH]1,0
CC(=O)N(CCC(C)C)c1ccccc1,0
COCCOCn1c(N(C)C)c(C#N)c2c(N)ncnc21,0
COC(=O)Cc1[nH]c(Cl)nc1C(=O)OC,0
Cc1cc(Cl)ccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O,1
COC(=O)C1=C(C(=O)OC)C2C(C)=CC(C)=CN2C(C(=O)OC)=C1C(=O)OC,0
C=CCOC(=O)C1CC=CCC1C(=O)OCC=C,0
C[C@@H]1CCCC[C@]1(O)C[N+](=O)[O-],0
Nc1nc2ccccc2c2[nH]c3ccccc3c12,1
COc1ccc(CC2C(=O)OC(C)C(NC(=O)c3c4nc5c(C(=O)NC6C(=O)NC(C(C)C)C(=O)N7CCCC7C(=O)N(C)CC(=O)N(C)C(Cc7ccc(OC)cc7)C(=O)OC6C)ccc(C)c5oc-4c(C)c(=O)c3N)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N2C)cc1,1
C[n+]1ccccc1C=NO.[I-],0
CC(=O)Nc1ccc([As](C)(=O)O)cc1,0
COc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
CC(=O)OCC(=O)Nc1ccccc1,0
CC(C)NC1(C#N)CCN(Cc2ccccc2)CC1,0
Cc1cc(C(O)=NCCN(C)C)c2nc3ccccc3nc2c1.Cl,1
COc1ccc(Nc2c(C#N)c3n(c4ccccc24)c2ccccc2[n+]3C)cc1OC.Cc1ccc(S(=O)(=O)[O-])cc1,1
O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2,0
O=C(C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2,0
C=C(C)[C@@H]1C/C=C(/C=O)CC[C@@H]2O[C@@]2(C)CC/C=C(\C)CC1,0
CC#CC#Cc1cccc(=O)o1,1
CC[C@H](C)NC(=S)NN=C(C)c1ccccn1,1
CC(C)=CCC[C@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C,1
NC(Cc1ccccc1)C(=O)O,0
CCOC(=O)CNC(=O)C1(NC(=O)CNC(=O)OCc2ccccc2)CCCC1,0
c1ccc(C(/C(=N/c2ccc(Cc3ccc(/N=C(\C(c4ccccc4)c4ccccc4)N4CC4)cc3)cc2)N2CC2)c2ccccc2)cc1,1
O[C@@H](Cc1cccnc1)c1ccccc1,0
O=C([O-])CCl.O=C([O-])CCl.O=C([O-])CCl.O=C([O-])[CH-]Cl.[NH-]CCCCCN.[NH2-].[NH2-].[Pt+4].[Pt+4],1
Cc1cc2cc3ccc(N(C)C)cc3nc2cc1N.Cl,1
CN1C(=O)/C(=C2/C(=O)N(C)c3ncccc32)c2cccnc21,0
C#C[C@@](OC(=O)N(C)C)(c1ccccc1)c1ccc(F)cc1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3cccc(C#N)c3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C1Nc2c3c(nn2N=Nc2ccccc21)CCCCC3,0
CC(=O)Nc1ccccc1N,0
Nc1ncnc2c1N=C1c3ccccc3CCC1[C@@H](c1ccccc1)N2,0
CC[C@@]1(C2=CCCCC2)C(=N)NC(=S)NC1=O,0
O=c1[nH]c(Cc2c[nH]c3ccccc23)c(O)n1Cc1ccc(Cl)cc1,0
CC1=NC(=S)N[C@H](c2cccc(Cl)c2)C1C(=O)Nc1ccc(F)c(Cl)c1,1
CC(=NNC(=S)N(C)C)c1ccccc1O,1
CC(Sc1ccccc1)C(=O)O,0
COc1ccc(Cn2c(Cl)c(/C=C3/C(=O)Nc4ccccc43)c3cc(OC)c(C)cc32)cc1,1
O=S(=O)(O)Cc1cccc2ccccc12.[Na+],0
S=c1[nH]c2nc(Cl)c(Cl)nc2[nH]1,0
Cn1c(=O)c(C#N)c(-c2ccccc2)n2c(SCC(=O)c3ccccc3)nnc12,0
COc1cccc2c1CCCC2(C)C,0
CCOC(=O)C1(NC(=O)C2(NC(=O)CN3C(=O)c4ccccc4C3=O)CCCC2)CCCC1,0
COc1ccc2nc3ccccc3c(NCCCCCCN(CCCl)CCCl)c2c1.Cl,1
CC(=O)C1Cn2c(nc3ccccc32)C[Se]1,1
N#Cc1ccc(/C=C/C(=O)c2ccccc2)cc1,1
ClCc1cccc(Cn2cnc3c(Cl)nc(Cl)nc32)c1,1
C[C@H]1CN(C(=S)S)[C@@H](C)CN1,0
N#Cc1c(Cl)nc(SC[C@@H]2CO2)nc1-c1ccccc1,0
COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3CCN(CCCNc4ccc5nnn6c7ccccc7c(=O)c4c56)CC3)c2c1.CS(=O)(=O)O,1
COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2-c2ccccc2)cc1,1
COc1ccc([C@@H]2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn4nc(CC#N)nc4c32)cc1OC,1
O=C(O)C(F)(F)F.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
CCOC(=O)c1ccc(NCCC(C)=O)cc1,0
CC(C)(C)OC(=O)C1C(=O)NC(=O)C[C@@H]1C[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1,1
Cc1ccc(S(=O)(=O)O)cc1.NC(=NO)NN=Cc1cc(Br)cc(Br)c1O,1
Nc1nc(N)c2c(n1)CN(Cc1ccc(Cl)cc1)C2,0
ON(O)O.[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[O-2].[O-2].[O-2].[Pt+4].[Pt+4].[Pt+4],1
C[C@H]1O[C@@H](O[C@@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC(C(=O)O)[C@H](O)[C@@H](O[C@@H]8OC[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,1
S=C(Nc1ccccc1)Nc1ccc2ccccc2c1,0
CC1(C)CC2(C)OC2C2(C1)N=NC(=Nc1ccccc1)O2,1
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1.CCS(=O)(=O)O,1
CC(=O)OCCCC(CCC(C)OC(C)=O)OC(C)=O,0
NC(=O)NCCO,0
CC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,1
CC(=O)Oc1c2ccsc2c(OC(C)=O)c2ccsc12,1
C=C[C@@H]1C[C@@]12C(=O)C1O[C@@]2(C)c2c1c(O)c1c(O)ccc(O)c1c2O,1
CCOC(=O)c1c2ncccc2n2c(=O)n(C3CCCCC3)nnc12,0
CCCC[C@H](CC)CNC1CCCCC1,0
COC(=O)c1cc(=O)nc(NN=C2CCCCC2)s1,0
Cc1c(C)c(CC#N)c(C)c(C)c1CC#N,0
CCN(CC)Cc1cc(Nc2ccnc3ccc(OC)cc23)ccc1O,1
O=[N+]([O-])C(C(Cl)=NCCO)/C(Cl)=C(\Cl)Br,1
OC[C@@H](O)[C@H]1O[C@H](c2ccco2)O[C@H](CO)[C@H]1O,0
CN1C2C=CC(=O)C1c1c2c(O)n(-c2ccccc2)c1O,1
O=C1NC(=O)[C@](Cc2ccccc2)(c2ccccc2)N1,0
CCN1CCNc2c3cc(OC)ccc3nc3c([N+](=O)[O-])ccc1c23,1
C1=C\CCCCN2CC[C@H]3[C@H](CCCC/C=C\CCCN4C[C@@H](CCCCC/1)C[C@@H]3C4)C2,1
O=C(Nc1cccc2ccccc12)N(c1ccccc1)c1ccccc1,0
Cc1nc2[nH]cnc(=O)c2nc1C,0
COc1cc([N+](=O)[O-])c(NC(C)=O)cc1Br,0
CC[C@H](C)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl,1
Cc1cc(C(=O)NCCN(C)C)c2nc3ccccc3nc2c1.Cl,1
CC(C)CNC(=O)/C=C\C(=O)O,0
O=c1[nH]c2ccccc2nc1/C(Cl)=C/c1ccc(Cl)cc1,0
CC(=O)C1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,0
COc1ccc2c(c1)CC(=Cc1cccc3ccccc13)C2=O,1
CCCCn1c(O)cc(Sc2cc(O)n(CCCC)c2O)c1O,0
COC1=C(Nc2ccc(OC)cc2)C(=O)C(OC)=C(Nc2ccc(OC)cc2)C1=O,0
c1cnc(NCCSSCCNc2ncccn2)nc1,0
CC(C)(C)c1nn(-c2ccccc2)c2c1COCN2Cc1ccncc1,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1,1
N#Cc1c(-c2ccccc2)[nH]c(SC[C@H](O)CN2CCOCC2)nc1=O,0
CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1C2=O,0
COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1,0
COc1ccc(NN=C(CCN(C)C)c2ccccc2)cc1.Cl,1
C[C@@H]1CCCN(C([S])=S)C1.C[C@H]1CCCN(C([S])=S)C1.[Cu+2],1
CC(=O)O.Cn1ccc2c(NCCN)c3c(c(NCCN)c21)C(=O)c1ccccc1C3=O,1
CC1(C)COC(c2cccc([N+](=O)[O-])c2)OC1,0
CCCCCCCC/C=C\CCCCCCCCNc1ccn([C@@H]2O[C@@H](CO[P@](=O)(O)O[C@H]3C[C@H](n4cc(F)c(=O)[nH]c4=O)O[C@H]3CO)[C@@H](O)[C@@H]2O)c(=O)n1,1
O=[N+]([O-])c1ccccc1C(O)Cc1ccccn1,0
Cc1nc2cc(Cl)ccc2[nH]1,0
CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1,1
ClCc1ccc2ccc3ccc(CCl)nc3c2n1,1
CCOC(=O)Nc1c2ccccc2nc2ccccc12,0
COc1ccccc1C1C2=C(COC2=O)OC(C)(C)Oc2cc3c(cc21)OCO3,1
COC(=O)C1CSCN1C(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc(O)c1,0
COC(=O)CSc1ccccc1C(=O)OC,0
CCC1(CC)N=C(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3ccccc3c2N1,1
O=[N+]([O-])N(CCOC(N(F)F)(N(F)F)N(F)F)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0
Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)C(C)N)ccc1Oc1ncc(Br)cn1.Cl,1
Cl.N=C(N)N/N=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12,1
CCN(CC)CCOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1,1
O=C(Nc1ccc(Cl)c(Cl)c1)c1c(O)cn(-c2ccccc2)c1O,1
CCCCN1CCC(=O)NC1=O,0
COc1ccc(CN)cc1OC,0
COc1ccc(C#N)cc1OC,0
CN1CC2C3C=CC(C3)C2C1,0
Brc1ccc(Br)s1,0
O=C(/C=C/c1ccco1)c1cccc([N+](=O)[O-])c1,0
CN1C(=O)c2c(ccc3c2OCO3)[C@@H]2[C@H](O)Cc3cc4c(cc3[C@H]21)OCO4,1
Cn1ncc2c(Nc3ccccc3Cl)nc(Cl)nc21,0
Nc1cc(Cl)cc(S(=O)(=O)O)c1O,0
N#CC(c1ccc(Cl)cc1)c1ccc(N=O)c(Cl)c1,1
Cc1nc(-c2ccccc2)cc2c(O)c(C(=O)NN)[nH]c(=O)c12,0
CCN1CC[C@](O)(/C=C/c2ccc(C(C)C)cc2)C(C(=O)/C=C/c2ccc(C(C)C)cc2)C1.Cl,1
CCOC(OCC)[C@@H](CC)[Se]c1ccccc1[N+](=O)[O-],1
COc1cc2c(C=C3C(=O)Nc4ccc(O)cc43)c(Cl)n(Cc3cc(OC)c(OC)c(OC)c3)c2cc1C,1
CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)C=C(C)C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)N(C)C,1
C(#CCN1CCOCC1)CN1CCOCC1,0
Cc1cc(C)c(CCN(C)C)c(C)c1C,0
CCOC(=O)c1c([N+](=O)[O-])c(C)[nH]c(=O)c1C#N,0
CSc1ncnc(N)c1N,0
CSc1nnc(CCC(=O)Nc2c(C)cccc2C(C)(C)C)o1,0
NC(=S)C(N)=S,0
CCC1(CC)NC(=S)NC1=S,0
CCN(CC)c1c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)nn(C)c1=O,1
Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccc(-c4ccccc4)cc3)nn12,0
CC(C)[C@@H](Br)CC/C(CBr)=C(\Cl)CCl,1
CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.O=C([O-])c1cc(F)ccc1F.O=C([O-])c1cc(F)ccc1F.[O-2],1
CC(=O)O.Cc1cc(C)c(C)c(C)c1C,1
Cc1cnc2[nH]c(-c3ccccc3)cc(=O)c2c1,1
CC(=NNC(=S)NC1CCCC1)c1ccccn1,1
c1ccc2c(c1)N=c1ccccc1=P21c2ccccc2Nc2ccccc21,1
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NNC(=S)NCc4ccccc4)ncnc32)cc1,1
Cc1ccc2cc3cccc(C(O)=NCCN(C)C)c3nc2c1.Cl,1
CCC1=C(c2cc(Cl)c3ccccc3c2OCC(=O)O)O[C@](CC)(C(=O)c2cc(Cl)c3ccccc3c2OCC(=O)O)CC1,0
COC(=O)C(Br)C(C(=O)OC)C(Cl)(Cl)Cl,0
COc1ccc([C@H]2SCC(=O)N2NC(=O)c2ccc(C)nc2)cc1,0
C[C@@H]1C[C@@H](C)/C(=N\NC(N)=O)[C@@H]([C@@H](O)CC2CCC(=O)NC2=O)C1,1
CC(C)C(=O)C(C)(C)CCc1cccnc1,0
O=C(O)C1CCCCC1,0
O=C1CC(=NCCc2cc(Br)c(O)c(Br)c2)C(=O)c2ncccc21,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccc(Cl)cc3)c3ccccc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
COc1cc(CNc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc(OC)c1,1
CCCc1cc(=O)[nH]c(=S)[nH]1,0
CCCCN(CC)CC(CC)Nc1cc(OC)cc2cccnc12,0
C[C@]1(O)C[C@@H](CI)O[C@@H](c2ccc(Cl)cc2)C1,0
COC1=CC(=O)O[C@@H](c2ccc(OC)cc2)C1,0
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,1
C/C(=C\c1c[nH]c2ccccc12)[N+](=O)[O-],1
COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC,1
Nc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1,1
O=S1(=O)CCN(C2CCCC2)CC1,0
NC(=O)c1ccc(N2CCCC2)nc1,0
Cc1ccc(S(=O)(=O)O)cc1.NC(=NO)NN=Cc1ccccc1O,1
COc1cc(OC)c(N=Cc2ccc3c(c2)OCO3)cc1Cl,0
O=c1[nH]c(O)cn1/N=C/c1ccco1,0
Cc1ccc(Br)c([N+](=O)[O-])c1,0
O=C(NN=Cc1ccc(O)cc1)C(=O)NN=Cc1ccc(O)cc1,0
O=C1NCN(CCO)CN1,0
O=C1NC(=S)S/C1=C\c1ccc(F)cc1,0
CCOP(=O)(OCC)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1,0
O=Cc1ccc(CO)o1,0
O[C@@H](CN1CCCCC1)c1ccc(Br)cc1,0
CCOc1ccccc1/C=N\NC(=O)C(=O)N/N=C/c1ccccc1OCC,0
CC(C)(C)C(=O)/C=C/c1ccccc1,0
C=CCN(CC=C)C(=O)Nc1cc(OC)ccc1OC,0
O=c1[nH]ncc(Br)c1Br,1
COc1ccc(C(=S)N2CCN(c3ccc(Cl)cc3)CC2)cc1,0
CCCCCCN(CCCCCC)CC(O)c1cccc2ccc(Cl)cc12,1
CCOC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,1
O=C(OCCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-],1
Cc1noc(N)c1N.Cl,0
CC1CCOC(c2ccc(Cl)cc2Cl)O1,0
CC(=O)c1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,1
O=[N+]([O-])/C(Cl)=C(\Sc1ccccc1)C(Cl)=C(Cl)Cl,1
CCN(CC)c1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N3CCOCC3)c2C#N)cc1,1
NCCCC(=O)O,0
COC(CC=O)CC(C)CC(C)(C)C,0
N#CC(C(CCCO)=NCCCCCC(=O)O)c1nc(=O)c2ccccc2[nH]1,0
COc1cc2c(cc1OC)-c1[nH]c3ccc(Br)cc3c1CC(=O)N2,1
CC(=O)OC1CC2CC1C1C=CCC21,0
OCCNCCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,1
CC#C[PH](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F,1
O=C(O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1,1
COc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)n(C(C)=O)c2=O)cc1,0
Cc1cn([C@H]2C=C[C@H](CO[P@@](=O)(OCc3ccc([N+](=O)[O-])o3)N(C)CCCCCl)O2)c(=O)[nH]c1=O,1
CC(C)CC(CC(C)C)NC[C@H](C)OC(=O)c1ccc(N)cc1.Cl,0
CC(=O)S[C@@H]1CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)OC(=O)CC[C@@H]34)[C@]21C,0
O=C(c1ccccc1)C1CCNCC1,0
C#C[C@](C)(O)[C@@H]1C[C@H](CC(=O)O)C1(C)C,0
Oc1ccccc1Nc1ccccn1,0
CN(C)CCC(=NNc1ccc(Cl)cc1)c1ccccc1.Cl,1
Nc1cc(N)c2nc(-c3ccccc3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1,1
CCCCCCCCCC(=O)NC(c1ccco1)C(O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C,1
CCCCCCCCCCCC1=NC(C)(C)CN1CCO,1
c1ccc([Ge](Oc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1,1
CC(=O)C1CCC2(O)C3CC=C4CC(=O)CCC4(C)C3CCC12C,0
CC(=O)OCC1=C(C)C[C@H]([C@@H](COC(C)=O)[C@@H]2CC[C@H]3[C@H]4C[C@H]5O[C@]56C=CCC(=O)[C@]6(C)[C@@H]4CC[C@]23C)OC1=O,1
COc1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1,0
CCCCCNC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O,1
CC(C)(CC(=O)O)c1ccccc1,0
Cc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nc2n1,0
O=C(C[n+]1cc(Br)cc2ccccc21)c1ccc(O)c(O)c1.[Cl-],0
O=C(O)c1ccccc1C=NNc1ccccn1,0
Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C,0
CCN1CCCC(=O)C1.Cl,0
CN(C)CCC(=O)N1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1.Cl,1
COc1ccc2c3c(ccc2c1)C(=O)C(C=O)CC3,0
CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(N)=O)C3O)c3c[nH]cn3)C(C)O)n2)n1.O=S(=O)(O)O,1
CCCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CCOC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1,0
COc1ccccc1/C=C(\C#N)C(=O)O,0
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCC[C@H]76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32.COS(=O)(=O)O,1
Cl.O=C1CSC2(CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)N1,1
CC(C)NC(=O)CN1CCN(C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)CC1,1
CN(C)c1cccc(C(=O)O)c1,0
CC(=O)O[C@H]1Oc2ccccc2-c2oc(=O)c(-c3cc4ccc(N(C)C)cc4oc3=O)cc21,1
COc1ccccc1/C=C1\SC(=S)NC1=O,0
O=C(c1c(Cl)cc(Cl)cc1Cl)N(Cc1cccnc1)C(=S)N(Cc1cccnc1)C(=O)c1c(Cl)cc(Cl)cc1Cl,1
CC(=O)OC[C@H]1O[C@H](O[C@@H]2C[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]3CC[C@@]45C[C@@]4(CC[C@H]5[C@@H](C)C[C@@H](O)[C@@H](O)C(C)(C)O)[C@@]32C)[C@H](O)[C@H](O)[C@@H]1O,1
CN(O)c1nc(=O)nc(N(C)O)[nH]1,0
Cc1ccc(C(O)(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1,0
Cn1c(SCc2nc(N)c3ccccc3n2)nnc1-c1cccs1,0
CCCCCC1=NCCN1CCO,0
Nc1cc(Cl)ccc1S(N)(=O)=O,0
O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1,1
CCOC(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)OCC)cc1,0
CCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
O=C1C2C3C=CC(C3)C2S(=O)(=O)C2C3C=CC(C3)C12,0
CCC=Cc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CC(=O)Nc1ccc(O)cc1[N+](=O)[O-],0
Cc1ncc2c(n1)NC(=O)NC2,0
CNc1ccc(N=Nc2cc[n+]([O-])cc2C)cc1C,0
BrC=Cc1ccccc1,0
Cc1ccc(S(=O)(=O)NN=Cc2ccco2)cc1,0
Fc1ccccc1/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1,1
CCCCC(=CC(C)(C)C)CCCC,0
C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1,1
CCOC(=O)c1sc(NC(=O)COc2ccc(/C=C3\CCc4cc(OC)ccc4C3=O)cc2)nc1C,1
CCCCC(C(=O)O)C1CCCCC1,0
CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccco1,1
C=CCc1ccccc1OCC(=O)NN=Cc1c[nH]c2ccccc12,1
O=CNc1cc2c(cc1Br)-c1ccccc1[C@@H]2O,0
CCOC(=O)Nc1ccc([As](=O)(O)O)c(O)c1,0
CCOC(=O)C(=O)Cc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1,0
CNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,1
O=[N+]([O-])c1c(Br)sc(Br)c1[N+](=O)[O-],1
O=[N+]([O-])c1cc(/C=N/N2CCCCCC2)ccc1Cl,0
Cc1cc2c([N+](=O)[O-])cc3c(c2o1)C(=O)C=CC3=O,1
Cc1ccc(S(=O)(=O)N2CCC(=N)N2)cc1,0
Cl.N=C(N)c1nn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2[nH]cnc(=O)c12,1
Oc1c(Cl)cc(Cl)cc1C1N2CCCCC2C2c3cccn3-c3ccccc3N21,0
COc1cccc2c1[C@H]1CO[C@H]3[C@H]4CC(C(=O)O)[C@@H]([C@@H](C2)N13)N4C.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
N#C[C@]1(Cl)C[C@H]2CC[C@@H]1C2,0
Cn1cc(C=CC(=O)O)c2nccnc21,0
CCOc1cc(C=NNC(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O,1
CN(C)CCCN=C1C(=O)c2c(O)ccc(O)c2C(=O)C1Cl,1
CCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O,1
Oc1ccccc1C=NNc1nc2ccccc2s1,1
COc1nc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2c(=O)n1C,0
CC(=NNC(=S)Nc1ccc(Cl)cc1)c1cccc(C(C)=NNC(=S)Nc2ccc(Cl)cc2)n1,1
O=Nc1c(O)c2ccccc2c2ccccc12,1
CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1,0
COC(=O)C1(N)CCCC1.Cl,0
O=C1c2ccccc2C(=O)N1Cc1ccc(Cl)cc1[N+](=O)[O-],0
O=C1N=c2ccccc2=C1c1[nH]c2ccccc2c1NOCCOCCO,1
Nc1nn2c(C=O)c(-c3ccccc3)nc2s1,0
COC(=O)c1cc(-c2cc3ccccc3o2)c(C#N)c(=O)[nH]1,0
O=C(OCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-],1
O=C1NC(=O)C2(CCCCC2)N1,0
CC(=NNc1nc2ccccc2[nH]1)c1cnccn1,1
O=C(O)c1ccc(-c2ccccc2)cc1,0
C1=CC2(C=C1)OC21CCC2(C=CC3(C2)OC3C2CCCCC2)CC1,0
NNC(=O)CCSCCC(=O)NN,0
CNN(C)c1c(C)cc(C)cc1C,0
Br.CC(=NNC1=NCCN1)c1cnn(C2=NCCN2)c1C,0
Cc1cnc2[nH]c(-c3cccc4ccccc34)cc(=O)c2c1,1
CCN(CC)C(=S)NN=C(C)c1cccc(C)n1,1
CCSc1nc(Cl)cc(Sc2nc(N)nc3[nH]cnc23)n1,0
Br.CN(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCN1CCCC1,1
Cn1ncc2c(=S)[nH]c(Cl)nc21,0
CC1(C)[C@@H](O)NC(Cl)=C(C#N)C1(C#N)C#N,0
Cn1nnnc1N,0
CC(C)(C)C#CC1=C(Br)C(=O)OC1,1
CSc1nc2c(c(C)c(-c3ccccc3)n2CCCCl)c2nc(O)cn12,1
CCC(C)C(C)(C)O,0
COc1ccc(/C=C/[N+](=O)[O-])cc1OC,1
COc1cccc(-c2cc(=O)c3c(C)ccnc3[nH]2)c1,1
O=C(Nc1ccc(F)cc1)Oc1ccc[nH]c1=O,0
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccncc1,0
Cl.N=C(N)NN=CC=NN=C(N)N,0
C[n+]1c(-c2ccccc2)cc2/c(=C\c3ccc([N+](=O)[O-])cc3)c3ccccc3n21.O=S(=O)([O-])C(F)(F)F,1
OC[C@H](O)c1ccccn1,0
O=C(O)C1(Nc2ccccc2Cl)CCCC1,0
COc1ccc([C@@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC,1
CCOC(=O)c1ccccc1N,0
CCCCCCCCCCCCSC(=N)N,1
CC(=O)c1cc2c(s1)C(=O)c1scc(C(C)=O)c1C2=O,1
CCCC(C)=C(C(=O)OCC)C(=O)OCC,0
CC(=NNC(=S)Nc1ccc(C)cc1)c1ccccn1,1
CC(=O)NC1CCSC1=O,0
CCOC(=O)c1[nH]c(CCl)c(C(=O)OCC)c1C,0
COC(=O)n1c(C)nn(-c2cc(N([S@@](=O)OC)[S@@](=O)OC)c(Cl)cc2Cl)c1=O,0
CCN(CC)CCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23.Cl,1
CN(C)/C=N/c1ccn([C@@H]2C[C@@H](F)[C@@H](CO)O2)c(=O)n1,0
OCNC(=S)c1c(Cl)cccc1Cl,0
NCc1cccc(CN)c1,0
O[C@H](COc1ccccc1Cl)CN1CCOCC1,0
CC(=NNC(=S)N1CCCC1)c1ccccn1,1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCNc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-])CC2,1
O=C1CC(c2ccccc2)CO1,0
Cc1cc(=O)oc2ccc(C(C)(C)C)cc12,0
CC(=O)Nc1cc2oc3ccccc3c2cc1[N+](=O)[O-],0
Cc1ccc2c(=O)cc(-c3cccc(Cl)c3)[nH]c2n1,1
Nc1ccc2c(c1)N(C(=O)c1cc3cc(NC(=O)c4cc5ccccc5o4)ccc3[nH]1)C[C@H]2CCl,1
COc1cc(C(=O)C(O)c2ccc(O)c(OC)c2)ccc1O,0
O=c1cc(-c2ccccc2)[nH]o1,0
COc1cc(NC2CCCCC2O)c2nc(-c3ccc(Cl)cc3)ccc2c1,1
Cc1ccc(S(=O)(=O)NCCCN2c3nc4ccccc4cc3Sc3cc4ccccc4nc32)cc1,0
CCCCCc1cc2cc3c(c(O)c2c(=O)[nH]1)[C@@]1(CC3)C(=O)C2=C(C(=O)c3c(O)c(OC)cc(O)c3C2=O)C1=O,1
CC(=O)O[C@H]1CCCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O,1
Cc1cc(OCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-],1
CCCCOc1ccc(NC(=O)n2ncc3ccccc32)cc1,0
O=C1NC(=O)[C@@](CSc2ccccc2)(c2ccccc2)N1,0
C=CC(C)=c1cc(O)c2c(=C)cc3c(=O)c4c([C@H]5C[C@H](N(C)C)[C@H](O)[C@@H](C)O5)cc([C@@H]5C[C@@](C)(N(C)C)[C@H](O)[C@@H](C)O5)c(O)c4c(O)c3c2o1,1
O=c1c2ccccc2n(C[C@H](O)CN2CCCC2)c2cc(Cl)ccc12,0
COc1cc2occ(O)c2c(OC)c1OC,0
CC[S@@+]([O-])c1c2cc(OC)ccc2nc2ccc(OC)cc12,1
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)Sc1c2ss/c1=N\C(C)(C)C,1
O=C(C[n+]1ccc2ccccc2c1)c1ccc2ccc3ccccc3c2c1.[I-],1
CCOc1c(C#N)c2c(N)ncnc2n1C1OC(CO)C(O)C1O,1
CCCC[Sn+2]CCCC.O=C([O-])c1cccnc1[O-],1
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1O2,0
COc1ccc2cccc(C(=N)c3ccc(C)c4c3CCC4)c2c1,1
CCC=CC(C(C)=O)C(=O)OCC,0
OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O,0
c1ccc2nc3cc4c(cc3nc2c1)NC12CCCCC1CC1=C(CCCC1)N42,1
O=c1c2c3c(sc2n2c(SCc4nnc(Nc5ccccc5)s4)nnc2n1Cc1ccccc1)CCCC3,0
Nc1ccc2c(S(=O)(=O)O)ccc(S(=O)(=O)O)c2c1,0
O=C1/C(=C\c2ccccc2)CN(C(=O)/C=C/c2ccccc2)C/C1=C\c1ccccc1,1
Cl.N=c1ccccn1CCO,0
CCCCCCCCCC1OCC(C)(C)C(C(C)C)O1,0
O=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2)nc1,0
CC(=O)Nc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(NC(C)=O)cc2)cc1,0
NS(=O)(=O)c1[nH]cnc1[N+](=O)[O-],0
CNC(=O)Oc1cc(C)c(OC(=O)NC)c(C)c1,0
OCCc1cccc(C(F)(F)F)c1,0
Cc1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,0
CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O,0
CN1CN(c2ccccc2)C2(CCN(CCCSc3ccccc3NC(=O)/C=C/c3ccccc3)CC2)C1=O.Cl,1
COc1ccc2c(c1)c(-c1ccc(-c3cn(C)c4ccc(OC)cc34)o1)cn2C,1
CNC(=O)c1ccccc1C,0
COc1ccc([C@H]2OC(=O)C(=O)C2I)cc1OC,0
Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1,0
c1ccc(P(=C2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1,1
O=C1c2ccccc2C(=O)c2c(/C=C/N3CCCCC3)ccnc21,1
Clc1nc(Cl)c2ncn(CC3(Cn4cnc5c(Cl)nc(Cl)nc54)COC3)c2n1,1
CN(C)CC1CCC/C(=C\c2ccc(Cl)c(Cl)c2)C1=O.Cl,1
Oc1ccc(N=Nc2ccc(Br)cc2)c(O)c1,1
COc1cccc2cc(/C(C)=N/NC(=O)CC#N)oc12,0
O=C1C(=Nc2ccc3c[nH]nc3c2)C(Cl)C(=O)c2ccccc21,1
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)[O-])cc1.[Na+],0
O=[N+]([O-])c1ccc(NN=Cc2ccccc2O)nc1,1
Oc1ccc(C2c3ccccc3Oc3ccccc32)c2cccnc12,1
CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
CCCCCCCC(CO)CO,0
CCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
COc1cccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)c1O,1
CCOC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)OCC)=C(N2CC2)C1=O,1
CN(C)C(=S)Oc1ccccc1C1(C)OCCO1,0
O=C(NCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
Nc1nc(N)c2c(Cl)c(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)ccc2n1,1
Cc1ccc(C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1,0
Br.CN(C)CC(C)(C)C(=O)C=Cc1ccc(C=CC(=O)C(C)(C)CN(C)C)cc1,1
CCC[C@@H]1CCCCC12C(=O)NC(=O)NC2=O,0
CC(C)(CCO)c1ccccc1,0
CCCCC(=O)OCC(=O)[C@]1(O)C=C2C(=O)c3c(c(O)c4c(OC)cccc4c3O)C(=O)C2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O2)C1,1
CC1(C)N=C(N)N=C(N)N1c1ccc(F)c(C(F)(F)F)c1.Cl,1
CNC(=O)O[C@H]1/C(C)=C\[C@H](C)[C@H](O)[C@H](OC)C=C(C)Cc2c(O)c(cc(O)c2OC)N(C)C(=O)/C(C)=C/C=C\[C@@H]1OC,1
NS(=O)(=O)N1CCCCC1,0
CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,1
CCCCCN(CCCCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1,0
CC(=O)OCCc1ccccc1,0
CCOP(=O)(CCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2)OCC,0
COc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2C)cc1Cl,1
CN(C)CCN=C1C([N+](=O)[O-])=Cc2c(=O)n(CCN(C)C)c(O)c3cccc1c23.Cl,1
O=C1CCC2(CCC(=O)O2)O1,0
CCCCCCCCCCCC(C)=O,0
Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O,1
O=C(NN=Cc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1,0
CC(C)[C@@]1(c2ccsc2)NC(=O)NC1=O,0
C[C@H](O)Cc1c[nH]c(=O)[nH]c1=O,0
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CNC/C1=C\c1ccc([N+](=O)[O-])cc1,1
CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(F)cc3)nc12.Cl,1
O=C(NC1CC1)c1ccccc1,0
OC1c2ccccc2C2C1C(c1ccccc1)C1(Cc3ccccc3C1O)C2c1ccccc1,1
CCCN(CCC)CN(CCC)CCC,0
N=c1c2c[nH]nc2nc2sc3cc(Cl)c(Cl)cc3n12,0
Clc1nc(Cl)nc(-c2ccccc2)n1,0
CC(C)N1CCSc2ssc(=S)c21,0
O=C(O)C(CCc1ccccc1)(Cc1ccccc1)C(=O)O,0
CCCCCCC1OCCO1,0
NNC(=O)C[n+]1ccccc1.[Cl-],0
CSc1nc2c(c(C)c(C)n2CCCCCC(=O)O)c2nc(O)cn12,0
Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c(C)c1Cc1cccc(Br)c1,0
C[C@]12C[C@@H]3O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1,0
c1ccc(P2CCc3[nH]c4ccccc4c3C2)cc1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(C(C)=O)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
COc1cc(C)c2c(c1OC)C(=O)CC2,0
COc1cccc(-c2cc(=O)c3cc(N(C)C)ccc3[nH]2)c1,1
C=CC(C)C(C)(C)O,0
Nc1ccc2nc(N)sc2c1,0
CCC[C@H](C)[C@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)[C@@H](C)OC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@@H]1O,1
Cn1c(=O)c2c(nc(Cc3ccc(N)cc3)n2C)n(C)c1=O,0
OCCN1CCN(c2ccc(Cl)cc2)CC1,0
CCCCNc1ccc(Nc2ccccc2)cc1,1
CCCCCCCCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O,0
NC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1,0
CS(=O)(=O)c1nsc(N)n1,0
CC(=CC1CCC(CN2CCCC2)C1=O)c1ccc(CC(C)C)cc1.Cl,1
O=C(CNC(=O)c1ccccc1)Sc1ccccc1,0
C=CC(=O)Nc1cc2ncn([C@@H](C)c3ccccc3)c(=O)c2cc1Oc1ccc(F)cc1,1
ClCCSSCCCl,0
Cn1c2ccccc2c(=NNc2ccc(S(=O)(=O)N=C(N)N)cc2)c2ccccc21,1
CCCCc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Cl,1
Cc1cc(S(N)(=O)=O)c(N)c(S(N)(=O)=O)c1,0
CCN(CC)CCNc1n[n+]([O-])c2ccccc2[n+]1[O-],1
Cl.Nc1ccn([C@@H]2O[C@@H](CO)[C@H](O)C2(F)F)c(=O)n1,1
O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1,1
O=C(c1ccccc1)c1nc2c(Cl)ccc(Cl)c2cc1C(Br)Br,1
c1ccc(CSc2ncnc3c2ncn3[C@@H]2CCCCO2)cc1,0
CC1(C)C(CBr)=[N+]([O-])C(C)(C)N1O,1
O=C(OCC=C1C=C(OC(=O)c2ccccc2)C(=NN(C(=O)c2ccccc2)c2ccccc2)O1)c1ccccc1,1
CCCCCCCCCCCC(=O)OC[C@@H](C[As](=O)(O)O)OC(=O)CCCCCCCCCCC,1
CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@@H](C)[C@@H]1O,1
CC(=O)N1c2ccccc2S(=O)(=O)c2c1ccc1ccccc21,0
CC(=O)c1ccc(N2CCCCC2)cc1,0
COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CCNCCNCCN)CC2)nc2ccccc12,1
COC(=O)c1ccccc1C(=O)OC1CCCCC1,0
O=C(C=Cc1ccc(O)c(O)c1)OCCc1cccc2ccccc12,1
CC(=O)C(C)(CCC(=O)O)CCC(=O)O,0
CCOC(=O)C1CCNC(=O)C1=O,0
O=c1cc[nH]c(SCc2ccc(Cl)cc2Cl)n1,0
NC(=O)C(N)C(N)=O,0
Cc1c(O)cccc1O,0
Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O,0
CCOC(=O)CCC(NC(=O)c1ccc(N2CCN(c3c(C)nc(N)nc3N)CC2)cc1)C(=O)OCC,1
OC(O)=c1oc(=C(O)O)c(=C(O)O)c1=C(O)O,0
O=C(CO)NCCO,0
C/C(=N\OC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1,0
O=C1/C(=C\c2ccco2)CC/C1=C/c1ccco1,0
CC1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@@H]3O[C@@]312,0
S=C1SCCN1Cc1ccccc1,0
Cl.N=C(N)N/N=C/c1c(-c2cc(Cl)sc2Cl)nc2sccn12,1
COc1cccc2c1[n+]([O-])c1cccc(OC)c1[n+]2[O-],1
COc1ccc([C@H]2c3cc4c(cc3O[C@H](NNc3ccccc3)[C@@H]2C)OCO4)cc1,1
CCCC(=O)Oc1ccc(C2CCCCC2)cc1,0
COC(=O)C[C@]1(C(=O)OC)Nc2cc(Cl)c(Cl)cc2S(=O)(=O)N1O,0
CCN(CC)CCCNc1[nH]ncc2c(C)c3nc4ccc(OC)cc4c3cc12,1
Cc1cccc(NC(=O)CC(=O)n2[nH]c(C)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2=O)c1,1
Oc1cccc2c(Cl)ccnc12,1
CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc2cccnc12,1
[Cl-].[Cl-].[NH-]C1CCCCC1[NH-].[Pt+4],1
Br.COC(=O)n1c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc21,1
O=C(NC(=S)NNC(=S)NNc1ccccc1)c1ccccc1,1
CCOC(=O)c1cnc2ccc(C)cn2c1=O,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(C)c4c(=O)[nH]c(SCc5ccccc5)nc4n3)cc2)n1,0
c1ncn([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)n1,0
ON(Cc1ccccc1)C(=S)c1ccccc1,1
CC1=CC(=C2C=CC(=O)C=C2)C=C(C)N1C,0
O=C(CBr)N1CCC2(CC1)SSC1(CCN(C(=O)CBr)CC1)S2,1
CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,1
CC1(C)OC(=O)NC1=O,0
COc1cc(/C=C\c2ccc(OC(C)=O)cc2)cc(OC)c1OC,1
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,1
NC(=O)NC(=O)NC(N)=O,0
O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)Cl,0
C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)N(CCCl)N=O)CC(=O)CC4,1
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O,0
CC1C(=O)CCCC1=O,0
Nc1cccc(N)n1,0
Cc1ccc(C(=O)C2C(=O)C3CCC2C3)cc1,0
CC(C)CCC(NS(=O)(=O)c1cc(I)c(N)c(I)c1)C(=O)O,0
O=C1OC2CC3CC1C2C3,0
CC1(C)CCC(C)(C)c2c1ccc(O)c2Cc1c(O)ccc2c1C(C)(C)CCC2(C)C,1
CCOC(=O)C(=Cc1ccc2ccccc2c1)P(=O)(OCC)OCC,1
Cn1c(=O)c2[nH]c(CCc3ccncc3)nc2n(C)c1=O,0
c1c[nH]c2nc3nc4ccccc4c3nc2c1,0
O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc(O)cc1,1
Cc1ccccc1N1CCN(C(=S)Cc2ccc3ccccc3c2)CC1,0
Cc1cccc(/C=N/NC(=O)Nc2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2ccccc2)c1,0
CN(C)CCNCCCN=c1c2ccccc2[nH]c2cccc([N+](=O)[O-])c12.Cl,1
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cccc(Cl)c1Cl,0
CC(C)NCC(O)COc1cccc2[nH]ccc12,0
Cl.[NH-]c1on[n+](-c2ccccc2)c1-c1ccccc1,0
Cn1c(=S)c2[nH]c(SC[C@@H]3CCCO3)nc2n(C)c1=O,0
CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(C)c3nc12.O=S(=O)(O)CCO,1
CCOC(=O)C(C=NC(N)=S)C(=O)c1ccccc1,0
Cc1cc(=O)n(-c2ccc(S(=O)(=O)O)cc2)[nH]1,0
CC1Nc2cccc3cccc(c23)NC1=O,0
NN,0
Cc1ccc(N)c(N)c1,0
C=CCOC(=O)C1C(C(=O)O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl,0
CC=Cc1c(OC)c(O)c2c(C)cc(Cl)nc2c1O,1
CCNC(=O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12,1
COc1cc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc(OC)c1OC,1
CCCC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2,1
COc1cccc(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C3C(C)[C@@H](OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccco4)C[C@]2(O)C3(C)C)c1,1
Nc1nc(=O)cc(Nc2ccccc2Cl)[nH]1,0
ClCCN1CCNCC1,0
C[S+]([O-])CC(O)(c1ccc(F)cc1)C1CC1,0
Oc1[nH]c2ccccc2c1N=NC(=S)N1CCCC1,1
O=C(CCl)NN=C1CSc2cc(Cl)ccc2N1,1
O=C1NCCCCC1(Br)Br,0
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1Cl,0
Oc1ccc(CCCCCCc2ccc(O)cc2)cc1,1
Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1,0
CCOP(=O)(OCC)C(=O)N(CC)CC,0
CNC1(C#N)CCCCC1,0
CCN(CC)CCC(CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12)c1ccccc1,1
Clc1cc(Cl)c(OCCCCCCN2CCNCC2)c(Cl)c1,1
CCOC(=O)C(CC1=CS(=O)(=O)c2ccc(Cl)cc21)(NC(C)=O)C(=O)OCC,0
ClCCSCc1ccccc1Cl,0
CSc1ccc(O)cc1C,0
CC(=O)OC(C)(C)Cc1ccccc1,0
COc1ccc(C=Nc2ccc(C=CC(=O)O)cc2)cc1,0
Cn1c(=N)n[n+]([O-])c2ccccc21,1
CC(=O)Oc1ccc2c3c1[C@H]1O[C@H]1c1cccc(c1-3)[C@@H]1O[C@H]21,1
N#Cc1cc2c(nc1-n1cccc1)CCCC2,0
Cl.O[Ce]12(Cl)(N3C=CC=c4ccc5c(c43)N1C=CC=5)N1C=CC=c3ccc4c(c31)N2C=CC=4,1
CCCC[Ge](CCCC)(CCCC)OC(=O)CC(=O)c1ccccc1,1
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,1
NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12,0
CCOC(=O)C(=CCC(C)C)C(=O)OCC,0
CC(C)c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1,0
CCN(CC)c1ccc(/N=N/c2ccc(-c3nc4ccc[n+](C)c4o3)cc2)cc1.[I-],1
CCCC(C(O)CC)[N+](=O)[O-],0
COc1ccc(Nc2c3ccccc3nc3occc23)cc1,1
Cc1ccccc1.S=C(S)NNc1ccccc1,1
COc1c(CNC(=O)CCl)cc2[nH]c(C)cc2c1CNC(=O)CCl,1
COc1ccc2c(CN3CCCC[C@H]3O)cc3cc4c(cc3c2c1)OCO4,1
CC(=O)O[C@@H]1Oc2cc(C)c(C)cc2-c2oc(=O)c(-c3ccc(F)cc3)cc21,1
COc1cc2[nH]c(-c3ccc(C#N)cc3)nc(=O)c2cc1OC,0
CS(=O)(=O)Oc1ccc(Cl)c2ccccc12,0
Nc1nc(Cl)c2ncn(Cc3ccc([C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)c(O)c3)c2n1,1
CC[C@@H](C)c1c(Cl)nc(Cl)nc1Cl,1
NC(=S)NN=Cc1nccc2ccccc12,1
OCCOCCOCc1ccccc1,0
O=C1NC(=S)NC1(c1ccccc1)c1ccccc1,0
CCCCCC(C)N(C)C(=O)CNCC(C)C,0
O=[N+]([O-])c1ccc([C@H](Nc2ccccc2)c2ccc3cccnc3c2O)cc1,1
Nc1cccc(-n2[nH]c(C(=O)O)cc2=O)c1,0
COc1ccccc1CN(C)c1ccccc1,0
CSc1ncnc2c1cnn2-c1ccc(S(N)(=O)=O)cc1,0
CCOC(=O)/C(=C/c1ccccc1Br)P(=O)(OCC)OCC,1
COc1cc(/C=C2\C[C@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=NO)cc(OC)c1OC,1
CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,0
CCCCCN(CCCCC)C[C@H](O)c1ccc(Cl)c2ccccc12.Cl,1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)ON1CCCCC1,0
COc1cccc2c(O)c3c(c(N)c12)C(=O)C1=C(CC(O)(C(C)=O)CC1OC1CC(N)C(O)C(C)O1)C3=O,1
Nc1c(C2CCCCC2)c(=O)on1C(=O)c1ccccc1,0
O=C1c2cc(Cl)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr,1
CCC1=C(c2cc(Cl)c3ccccc3c2OCC(=O)O)OC(CC)(C(=O)c2cc(Cl)c3ccccc3c2OCC(=O)O)CC1,0
CNC(=S)NCCN1CC1,0
COc1cc2cc(C(=O)N3C[C@@H](COS(C)(=O)=O)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC,1
O=C(NCCCO)c1cc(Cl)ccc1O,1
c1ccc(C(c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
CCOC(=O)C(=Cc1ccc(C#N)cc1)C(=O)OCC,1
O=P(O)(Oc1ccccc1)c1ccccc1,0
Cc1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)s1,0
CC(C)N(CC#CCO)CCO,0
Cn1c(=O)oc(=O)c2ccccc21,0
CCN1CCC(O)(C(C(=O)OC)c2ccccc2)CC1,0
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1,1
CN(C)CSc1ccccc1,0
O=C(O)C(=O)c1ccc(-c2ccccc2)cc1,0
CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)c1ccccc1,0
CCOC(=O)c1c[nH]c2ncnn2c1=O,0
O=C(c1ccccc1)c1ccco1,0
CC(Oc1ccc(Cl)cc1Cl)C(=O)O,0
OC(Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)nc(CC(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,1
Nc1ccc(NC(=O)C(=O)O)cc1,0
O=P1(N(CCCl)CCCl)SCCCS1,0
CC1=NC(C)=C(C(=O)Nc2ccccc2)C(c2ccc(C3C(C(=O)Nc4ccccc4)=C(C)N=C(C)C3C(=O)Nc3ccccc3)cc2)C1C(=O)Nc1ccccc1,1
CCCCCCC(C)OC(=O)C=Cc1ccccc1,0
Clc1cccc(/N=C/c2ccc(Cl)cc2Cl)c1,0
COc1ccccc1C=CC(=O)C=Cc1ccccc1O,1
O=C(/C=C/c1c(-c2ccc(F)cc2)nc2sccn12)c1cc(F)cc(F)c1,0
CCCCNCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
N#Cc1c(-c2ccccc2)c(N=Nc2ccc(F)cc2)c(=O)n2c1[nH]c1ccccc12,1
Cl.NCCCCNC1(c2cc3ccccc3s2)CCCCC1,1
COC(=O)CNc1nc(N(C)O)nc(N(C)O)n1,1
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1,0
NS(=O)(=O)c1cnccc1Oc1c(-c2ccccc2)oc2ccccc2c1=O,0
Cc1cnc(C)c2ccccc12,0
S=P(N1CC1)(N1CC1)N1CC1,0
Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCCCC3)c12,1
O=C(O)C(c1cccs1)C1(O)CCCCC1,0
O=C(CC(=O)Nc1ccccc1)NN=Cc1cc(N=Nc2ccc(Br)cc2)ccc1O,1
CN(C)CCCNc1ccc2nnn3c4ccc(OC(=O)c5ccccc5)cc4c(=O)c1c23,1
O=CC(CO)CC(C=O)n1cnc2c(=O)[nH]cnc21,0
NC(=O)CCC(N)C(=O)O,0
Cc1cc(=O)cc(S)[nH]1,0
S=c1cn[nH]c2ccccc12,0
CCOC(=O)c1ccc(N[C@@H]2c3cc4c(cc3C(c3cc(O)c(O)c(OC)c3)=C3C(=O)OCC32)OCO4)cc1,1
CCN(CC)CCCC(C)Br,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
NC(=S)Nc1cccc(Cl)c1,0
CCOC(=O)/C=C(/C)Sc1cc(O)c2ccccc2c1O,1
Cc1cccc(Cl)c1NC(=O)NCCCN1CCCCC1C,0
O=C(NC1CCCCC1)C(Cc1ccccc1)=NC(=O)c1ccccc1,0
CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(/C=C/c2ccccc2)[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F,1
Nc1ccc(C(=O)[O-])cc1.[K+],0
CCCCCCCCCCCCCCCCCCOC[C@@H](COCCOCC[N+]1(CCCCCC(=O)[O-])CCCC1)Oc1ncccn1,1
O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1c([O-])on[n+]1-c1ccccc1,1
Br.Cc1ccc(C2=CSC3=NCCN23)cc1Cl,0
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccncc1,0
NCCCN1CCN(CCCNc2nc3ccccc3c3[nH]c4ccccc4c23)CC1,1
O=C1c2ccsc2-c2cccc3cccc1c23.O=C1c2sccc2-c2cccc3cccc1c23,1
CS(=O)(=O)Nc1nc2ccccc2[nH]1,0
N#Cc1c(-c2ccc(Cl)cc2)c2c(N=Nc3c(O)ccc4ccccc34)[nH]nc2[nH]c1=O,1
ON=CC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1Cc1ccccc1,1
OCCCN=Cc1cc(Cl)cc(Cl)c1O,0
Cc1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O,1
C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.Cl.Cl.Cl.[Rh+6],1
Cl.Nc1ccc(C(=O)O)cn1,0
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.O=S(=O)(O)CCO,1
O=Cc1ccc(Oc2c3ccccc3nc3ccccc23)cc1,1
O=C1C=CC(=O)N1Cc1cccnc1,0
Cc1cc(C)c(C(=O)O)c(C)c1,0
O=S1(=O)c2ccccc2N(c2ccccc2)c2nc(COc3ccc(-c4nc5ccccc5s4)cc3)nn21,0
Oc1c(C=CCc2ccc(OCc3ccccc3)cc2)c(O)c2ccccc2c1O,0
c1ccc(-c2ccc(N=Nc3ccc(-c4ccccc4)cc3)cc2)cc1,0
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,0
c1ccc(CN2CCOCC2)nc1,0
COC1=c2ccccc2=CC=c2ccccc2=N1,0
CS(=O)(=O)N1C[C@H](CCl)c2ccc(O)cc21,1
CC(C)CC(NC(=O)CCCCCl)C(=O)O,0
CCC(=O)c1ccccc1C,0
Clc1cc(Cl)c(C[N+]23CN4CN(CN(C4)C2)C3)cc1Cl.[Cl-],0
CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4C(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(C)=O)C[C@H](CCNC(C)=O)OC(C)=O)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1.Cl,1
CN(C)C(=O)c1ccc2c3c(ccc(C(=O)N(C)C)c13)CC2,0
COc1ccc(CC(C(=O)O[C@H](C)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)C(=O)N2CCCCNC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@H](O)[C@H]2CC(C)C)N(C)C(C)=O)cc1,1
CCCC(C(=O)OC(C)CN1C(C)CCC1C)C1CCCC1,0
Cc1c(CCCl)c(Cl)n2c(nc3ccccc32)c1C#N,1
C[C@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1,0
COC(=O)CC(CC(=O)C(=O)OC)C(=O)OC,0
CN(C)CCN1C(=O)Nc2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c23.Cl,1
CC=C(C)c1[nH]c(=O)[nH]c1O,0
CCOC(=O)NN=Cc1cc(Br)ccc1O,0
CC1(C)[C@H]2CC[C@@](C)(OO)[C@@H]1C2,0
N#CC1C(=N)Oc2c(ccc3cccnc23)[C@H]1c1ccccc1,1
CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4C(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1.Cl.Cl,1
O=C1CC2(CCCCC2)CC(=O)N1CCc1ccccc1,0
Cc1cc(-n2ccc(N)nc2=O)ccc1F,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](NN)[C@@H]2C)OCO4)cc(OC)c1O,1
CC(=O)O.N=c1ccn2c(n1)O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H]12,1
O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1,1
O=C1CCCCCN1C(=O)c1ccccc1,0
O=C(O)c1c[nH]c2nccnc12,0
COc1ccc2nc3cc(Cl)ccc3c(NCCCNCc3cc(OC)c(OC)c(OC)c3)c2c1,1
COc1ccc([N+](=O)[O-])cc1C(F)(F)F,0
CCOC(=O)C1CCN(C(=O)c2ccccc2)C(CC)C1=O,0
FC(F)(F)c1nnn[n-]1.[Au+2].c1ccc([PH-](c2ccccc2)c2ccccc2)cc1,1
N#Cc1ccccc1F,0
C=C(C)C(=O)O[C@H]1C[C@]2(C)OC(=C(C)C[C@H]3OC(=O)C(=C)[C@H]13)CC2=O,1
Cc1nc(N)nc(N)c1CCCc1ccccc1,1
CCOC(=O)C(=O)C(C#N)c1ccccc1,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1.CCS(=O)(=O)O,1
CN(C)CC(C(=O)Cc1ccccc1)c1ccccc1,1
Cc1c[n+]([O-])ccc1Cl,0
Fc1ccc(Cc2ccc(F)cc2)cc1,0
CN(C)CN1C(=O)c2ccccc2C1=O,0
CC(C)NC(=O)c1ccc(C(C)C)cc1,0
CCOC(=O)C1C(=O)NC(C(=O)OCC)(C(=O)OCC)[C@@H]1CC,0
O=C(O)CC1(C(=O)O)CC2C=CC1C2,0
O=C1C(=O)c2ccccc2C(=O)C1=C(c1ccc(Cl)cc1)c1c(O)c(O)c2ccccc2c1O,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CC(=O)Oc1cccc([N+](=O)[O-])c1)C2,1
CN(c1ccccc1)S(=O)(=O)CS(=O)(=O)N(C)c1ccccc1,0
Cc1cc(=O)c(C=NC(=S)Nc2ccccc2)c(O)o1,0
O=c1cc(-c2cccc(C(F)(F)F)c2)[nH]c2cc3c(cc12)OCO3,1
CSc1ccccc1C#Cc1ccccc1C#CCCCCN1CCCCC1=O,0
CC(C)(CCC(=O)N1CCSCC1)c1ccccc1,0
CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](OC(C)=O)C[C@@H]3CC4(CC[C@@]32C)OOC2(CCCCC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(N)=O)[C@@]12C,1
Cl.NCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,0
O=C(O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1,0
CSc1cc(-c2ccccn2)nc(-c2ccccn2)c1,1
CC(C)(C)CC(N)CC(C)(C)C,0
C[N+]([O-])(CC1CCCCC1)c1ccccc1I(=O)=O,0
COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(N)cc1OCc1ccccc1,0
Oc1ccc(O)c(-c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1,1
N=C(N)NN=C(c1ccccc1)c1ccccc1,1
COc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c2cc1OC,0
OCc1ccc(O)c(CO)n1,0
COc1ccc(-c2cc(C(O)C3CCCCN3)c3ccccc3n2)cc1,1
O=C1C(Br)=CC(=Nc2ccc(O)c(Br)c2)C=C1Br.[Na+],0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(N)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
CCOC(=O)CCn1ncc(Cl)c(Cl)c1=O,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=O)CC1OC1CC(O)C(O)C(C)O1)C3=O,1
COc1ccc(CC(=O)c2c(O)n(C)c3ccccc23)cc1OC,0
COc1ccccc1N=c1scc(C)n1C,0
CC(=O)Sc1cc(O)oc1O,0
N[C@@]1(C(=O)O)CCCc2ccc(N(CCCl)CCCl)cc21,0
O.O=P1(N(CCCl)CCCl)NCCCO1,0
O=C(O)C1=C(C(=O)O)[C@H]2C=C[C@@H]1C2,0
COc1ccccc1-c1cc(=O)c2ccccc2n1C1CC1,1
COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3,1
COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1,1
O=[N+]([O-])c1ccc(Cl)c(Cl)c1,0
O=C1CS[C@]2(CC(/C=C/c3ccccc3[N+](=O)[O-])=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1,1
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[I-],1
c1ccc([Sn](c2ccccc2)(C2CCCCC2)C2CCCCC2)cc1,0
CCC(CC)NC(CC)CO,0
Cl.O=C1/C(=C\c2ccccc2)[C@H](NC2CCCCC2)c2ccccc21,1
C=c1nc2sc(C)cn2c1=Cc1c(O)n(C)c2ccc(O)cc12,1
O=C(O)/C=C\C(=O)Nc1ccccc1,0
CCCCCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12,0
CC1(C)[C@@H]2C[C@H]1[C@@H](Cc1cccc(C[C@H]3c4cc(-c5ccccn5)ncc4[C@H]4C[C@@H]3C4(C)C)c1)c1cc(-c3ccccn3)ncc12,1
NC(=O)NC(=O)c1cccc(NC(=O)CI)c1,1
N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)S(=O)(=O)c1ccccc1,1
CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12,1
CNC(=O)Oc1cc(Cl)c(Cl)cc1Cl,0
COc1c(Br)cc(Br)c(OC)c1-c1[nH]c(Br)c(Br)c1Br,1
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN(C)C)C(CC(OC4OC(C)C(O)C(NC(=O)CN5CCN(CCO)CC5)C4O)/C=C/C=C/C=C/C=C\C=C/C=C/C=C/C2C)O3)cc1,1
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCC)cc1.[Br-],1
Cc1cc(NCCCN(C)C)c2ccc3c(ccc4c(NCCCN(C)C)cc(C)nc43)c2n1,1
Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1,0
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1,0
CCCc1nc2ccccc2c(=O)n1CC(=O)n1nc(C)cc1C,0
Cn1ncc(CC(=O)O)c1N1C=Nc2ccccc2S1(=O)=O,0
Cc1nc(NC(=O)COc2ccc(/C=C3\Cc4ccc(Cl)cc4C3=O)cc2)sc1C,0
Nc1ccccc1Sc1cc(O)n(-c2ccccc2Cl)c1O,0
COc1ccc(/C=C2/SC(=Nc3nc(-c4nc(N=C5NC(=O)/C(=C\c6ccc(OC)cc6)S5)sc4C)c(C)s3)NC2=O)cc1,1
CCC(C)(C)CO,0
[O-][S@+](Cc1ccc(Cl)cc1)c1ccccc1,0
CC[C@]1(O)C[C@@H](O[C@@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](OC4OC(C)C(=O)CC4=N)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC,1
C/C=C/[C@H]1O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)C(OC)=CC(C)=CC(C)[C@@H](O)[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@H](O[C@H]2C[C@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C,1
O=[N+]([O-])c1ccc(N2CCOCC2)c2c1no[n+]2[O-],1
O=C(O)CC1(C(=O)O)CCCC1,0
COc1cc(C=CC(=O)c2c([O-])on[n+]2-c2ccccc2)ccc1O,1
C=C(C1=CC(=O)C(C)(C)O1)[C@@H]1CC=C([C@@H]2CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)C(OC(=O)C[C@@](C)(O)CC(=O)O)C[C@]32C)[C@H](O)O1,1
Cc1nnc2nc(-c3ccccc3)nc(-c3ccccc3)n12,0
S=c1n(CN2CCCCC2)nc(-c2cc(Cl)cc(Cl)c2Cl)n1/N=C/c1ccc(Cl)cc1,0
Cc1cc(N)nc(N)n1,0
Cc1cc(O)ccc1[C@@]1(c2ccc(F)cc2)OC(=O)c2ccccc21,1
Cn1cnc([N+](=O)[O-])c1Sc1n[nH]c(N)n1,0
Cl.ClCCSCc1nc2ccccc2[nH]1,0
CC(=O)C1CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,0
Cc1cn2c(/C=N/N=C(N)N)c(-c3cc(Cl)sc3Cl)nc2s1.Cl,1
c1ccc(CCc2ccccn2)cc1,0
CC=NC(N)=S,0
Br.CN1CC[C@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)[C@@H]1C2,1
CCOC(OCC)c1ccc(OC)cc1,0
COc1ccc(CCc2ccc3cc(OC)ccc3n2)cc1,0
CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)cc(CN(C)C)c1O.Cl,1
COc1ccc(C(OCC2OC(n3ccc(NC(=O)c4ccccc4)nc3=O)C(O)C2O)(c2ccccc2)c2ccccc2)cc1,1
CC1(C)CC(=O)C(C)(C)c2ccccc21,0
COc1ccc2[nH]cc(C3C4CCC(C4)C3NCc3cccc(CNC4C5CCC(C5)C4c4c[nH]c5ccc(OC)cc45)c3)c2c1,1
Br.CCN(CC)CC(C)(C)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)CN(CC)CC)cc1,1
CON=C1CCC(C(C)(C)C)CC1,0
COC(=O)C1C(C(=O)OC)[C@@H]2O[C@H]1[C@H](Br)[C@@H]2Br,0
COc1ccc(O)cc1,0
O=S1(=O)C[C@H](O)[C@H](O)CS1,0
CC(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O,0
CCCC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ccccn1,1
Brc1ccc2c(c1)-c1ccccc1C1=NCCN12,1
Cc1nc(N)nc(Cl)c1CCC1OCCO1,0
Cc1ccccc1C(=O)c1ccccc1C,0
NC(=S)NN=Cc1ccc(OC(=O)COc2ccccc2)cn1,1
COc1ccc(-n2c(O)c3c(c2O)C2CC(C(C)(C)C)CCC2c2c-3[nH]c3c(C)cccc23)cc1,1
COC(=O)c1ccc(C)cc1CC1Cc2cccc(C)c2C1=O,1
COc1ccc(OC)c(-c2cc(-c3ccc(Cl)cc3)nn2-c2ccc(S(N)(=O)=O)cc2)c1,1
CC(=NNC(=O)c1ccncc1)c1ccc(Cl)cc1Cl,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,1
Cc1[nH]c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2c1[N+](=O)[O-],1
COc1ccc(C(=O)C(CN(C)C)c2ccccc2)cc1,1
CCNC(=S)NN=Cc1ccccn1,1
[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2csc3c4ccccc4c4ccccc4[n+]23)cc1,1
CCOC(=O)CC(C(=O)OCC)C(C)c1ccccc1,0
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,0
CCOC(=O)C(=Cc1ccccc1Cl)C(=O)OCC,1
O=C1CN[C@@H](c2ccccc2O)N1O,0
COC(C(=O)C(O)C(C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](OC)[C@@H](C)O5)[C@H](OC(C)=O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)C1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(C)=O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1,1
C1CC[C@H]2CNCC[C@@H]2C1,0
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O,0
N=C(N)N[C@@H]1NCC(=O)S1,0
Nc1n[nH]c(C(=O)O)n1,0
CCN(CC)CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12,1
O=C(N/N=C/c1ccccc1)N/N=C/c1ccccc1,0
CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,0
CC[C@@]1(OC(=O)C(N)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
NC(=S)NN=C1CCSCC1,0
C1CCC(NC2CCCC2)CC1,0
Oc1csc(=S)n1/N=C/c1c(F)cccc1Cl,0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c(OC)c1OC,1
O=C(O)c1ccc(Br)o1,0
Clc1ccc(CCNCCNC2(c3cc4ccccc4s3)CCCCC2)cc1Cl.O=C(O)/C=C/C(=O)O,1
NC(Cc1ccc(OC(Cn2ccnc2[N+](=O)[O-])Cn2ccnc2[N+](=O)[O-])cc1)C(=O)O,0
CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1,1
CCc1c(Nc2ccccc2)coc1O,0
CC(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)cc1,1
CC(C)CCOC(=O)C(=O)OCCC(C)C,0
CN(C)CCNC(=O)c1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3nc12,1
C=C1C(=O)OC2C1CC1OC2C(C)CCC=C(C)C2CCC1(C)O2,1
CC(=NNc1nc2ccccc2n1C)c1cnccn1,1
N#CC(C#N)=C/C=C(\Sc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1,1
CC(=NNC(=S)NC1CCCC1)c1ccccn1,1
CC(=O)C(C)CCc1ccccn1,0
Nc1ccc(S(=O)(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1,0
COc1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1OC,1
C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(N)n1,1
CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,0
COc1ccc(CCN2C(=O)CCC3=C2CCC3=O)cc1OC,0
Nc1c(-c2ccc(Cl)c(Cl)c2)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1,1
CCC(C#N)(c1ccccc1)c1ccccc1,0
Cn1c(=O)c2c3ccccc3c(C(=O)c3ccccc3)n2c2ccccc21,1
COc1cc(C(=O)OCC[N+](C)(C)C)cc(OC)c1OC.[I-],0
O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21,1
CCN(CC)CCOC(=O)c1ccc(N)cc1.O=P(O)(O)O,0
Cc1nc(N)nc(N(C)c2ccccc2)c1Br,0
OCc1nnn(-c2ccccc2)c1CO,0
Cc1ccc([SH](c2ccccc2)c2cc(C)ccc2C)cc1,1
CCNCc1ccncc1,0
C=c1nc2sccn2c1=Cc1c(O)[nH]c2ccc(OC)cc12,1
CC(=O)Nc1cc(C)ns1,0
CCOC(=O)n1cnc2c(Cl)ncnc21,0
N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2cccc3ccccc23)n(-c2cccc3ccccc23)c1N,1
O=C(CNC(=O)OCc1ccccc1)NCC(=O)Oc1ccc([N+](=O)[O-])cc1,0
O=[N+]([O-])c1cc2c(cc1O)OCO2,0
COc1cccc(-c2cc(=O)c3ccc(C)nc3[nH]2)c1,1
CS(=O)(=O)c1ccccc1N,0
BrC(Br)=C1C(=C(Br)Br)[C@H](Br)[C@@H]1Br,1
COc1ccc2[nH]c(Cl)c(C=C3C(=O)N(c4ccccc4)c4ccccc43)c2c1,1
CN(C)Cc1cc(O)c(CN(C)C)cc1O,0
C[C@@H]1CC[C@H]2C(CN(C)CC3=C(C(F)(F)F)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4,1
O=C(N/N=C/c1ccc(F)cc1)c1[nH]c2ccc(I)cc2c1-c1ccccc1,1
Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)no1,1
CO[C@]1(CC[C@@H](C)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C,1
CCCCC(CC)(CO)CO,0
Cc1ccc(C)c(C(=O)CC(C)C(=O)O)c1,0
COC(=O)C(Cl)CCl,0
COc1ccc2c(c1)/C(=C\c1c(Cl)n(C)c3ccccc13)C(=O)N2,1
NCCCNCCSP(=O)(O)O,0
Cn1c(O)c(N=O)c(=O)n(C)c1=O,0
COc1ccc(-c2c(-c3ccc(OC)cc3O)n[nH]c2N)cc1,0
O=C(O)C1CCC(C(=O)O)SS1,0
Cc1cc(C)cc(C(=O)N2CCCCC2)c1,0
CC(=O)CCN(Cc1ccccc1)Cc1ccccc1,0
Cc1c2cc[nH]cc2c(C)c2c1nc1ccc(Cl)cc12,1
Cl.O=C1C(=Cc2ccc(Cl)cc2)CNCC1=Cc1ccc(Cl)cc1,1
O=C(O)C1(O)c2ccccc2-c2ccccc21.[Na+],0
Oc1ccc2ccccc2c1[C@@H](/N=C/c1ccccc1)c1ccccc1,0
CCC(=CC(=O)O)C(=O)O,0
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1,1
CCOC(=O)C1CN(C(C)(C)C)C(=O)C1=O,0
Cn1c(=O)c2cccnc2c(=O)n1C,0
COC(=O)c1cc2ccccc2c([N+](=O)[O-])c1O,0
CCOc1ccc(/C=C2/CCc3ccccc3C2=O)cc1,0
COc1ccc(C=C(C(C)=O)C(C)=O)cc1,0
O=C1NC(=O)[C@]2(C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)N1,0
CC(C)(C)COC(=O)C(C)(C)C,0
COc1cc(C2c3cc4c(cc3OC(O)C2C)OCO4)cc(OC)c1O,1
Brc1cccc[n+]1Cc1ccc(C[n+]2ccccc2Br)cc1.[Cl-],0
C[C@@H]1C=CCCC12C(=O)NC(=O)NC2=O,0
O=S(=O)(O)C(O)c1cccnc1,0
CNC=O.O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl,0
NNC(=O)Cc1cc(=O)[nH][nH]1,0
NC(=O)c1cc(Cl)nc2nc(Cl)nc(N)c12,0
CC(C)CN1CCN(CCCOC(=O)Nc2cccc3ccccc23)C[C@H]1C,0
CCN(CC)CCCOC(=O)Nc1ccccc1Cl,0
Nc1cc(N)c(N)cc1N,1
Nc1[nH]c(=O)ncc1-c1ccc([N+](=O)[O-])cc1,0
O=C(Nc1ccc(Br)c2ccccc12)c1ccc2ccccc2c1O,1
CCN(CC)Cc1cc(C(C)(C)CC)cc(C2CCCCC2)c1O,0
O=[N+]([O-])c1ccc(-n2nc3ccc4c(no[n+]4[O-])c3[n+]2[O-])c([N+](=O)[O-])c1,1
Br.CCC[C@@H](C)NCCNc1cc(OC)cc2cccnc12,0
Nc1ccc(Nc2ccncc2)cc1,0
CC(=O)Nc1scc[n+]1Cc1ccccc1.[Br-],0
C=CCOc1nc(N)nc(OCC=C)n1,0
CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21.Cl,0
CSC(=NC(=O)c1c(Cl)cccc1Cl)SC,0
COC(=O)C1C(=O)C(C(=O)OC)[C@]2(O)C(C(=O)OC)[C@H]1C[C@@H](c1ccc(C(F)(F)F)cc1)C2C(=O)OC,1
Clc1ccc(-c2nnc(Cn3ccnc3)o2)cc1,0
COc1cc(C=C2CCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O,1
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN)ncnc32)cc1,1
COc1ccc(-c2nnc(Cn3cnnc3)o2)cc1,0
C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl,0
c1ccc(-c2ccccn2)nc1,0
O=C(Cc1ccccc1)C(O)c1ccccc1,0
O=C(NO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Nc1ccccc1,0
CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
Cc1nc2ccccc2nc1-c1ccc([N+](=O)[O-])cc1,0
CCC[C@@](O)(c1ccccc1)C(c1ccccc1)c1ccccn1,0
COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N/N=C(N)N/N=C/c1c(-c2cc(OC)c([N+](=O)[O-])cc2OC)nc2sc(Cl)cn12.Cl,1
Cc1ccc(S(=O)(=O)O)cc1.NC(=NO)NN=Cc1cc(Br)cc(Br)c1O,1
O=c1[nH]c(=O)c2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2[nH]1,0
COC1=C(NCc2ccccc2)C(=O)C(OC)=C(NCc2ccccc2)C1=O,0
N=C(NN=Cc1ccccc1)C(=N)NN=Cc1ccccc1,0
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,0
CI.O=C(CC[C@@H]1CCCCN1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O,1
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)Sc1c2ss/c1=N\c1ccc(Cl)cc1,1
O=C(CNc1cccc([N+](=O)[O-])c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,1
c1ccc(Cc2ccncc2)cc1,0
O=C1CN(Cc2ccc3c(c2)OCO3)NO1,0
COc1cccc(C=NNc2nnc(NN=Cc3cccc(OC)c3OC)c3ccccc23)c1OC,0
Clc1ccc([IH]c2ccc(Cl)cc2Cl)c(Cl)c1,1
NC(CO)C(=O)O,0
COC1OC(O)C(NC(=O)C(F)(F)F)CC1O,0
CCC=CC(C(=O)OCC)(C(=O)OCC)C(C)CC,0
COc1cc(/C=C\c2ccc(Cl)cc2)cc(OC)c1OC,1
N#CC1(Nc2ccc3ccccc3c2)CCCC1,0
COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1,1
CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1,1
O=C(O)C1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1,0
ClCCn1cnc2c(SCc3ccccc3)ncnc21,1
CCN(CC)CCOC(=O)c1ccccc1.Cl,0
C=C(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1,1
O=[N+]([O-])c1ccc(NN=CCC(O)(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1,1
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)cc1,0
S=C=NCc1ccccc1,1
CCCCCCCCCC(=O)OCC,0
COc1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(OC)c(OC)c3)C2C)OCO4)cc1,1
COc1ccc(C(c2ccc(C(C)C)cc(=O)c2O)c2ccc3cccnc3c2O)cc1,1
CC1=C2[C@H]3OC(=O)C(C)[C@@H]3CC[C@@]2(C)C=C(Cl)C1=O,0
Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br,0
CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F,1
Cc1ccnc2[nH]c(-c3cccc(Cl)c3)cc(=O)c12,1
C=C(C)C1(CCCC)C(=O)NC(=S)NC1=O,0
N#CCCOCC(OCCC#N)C(OCCC#N)C(OCCC#N)C(COCCC#N)OCCC#N,0
BrP(NC1CCCCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1,1
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=S)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,1
COCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
O=C(CCl)N1c2ccccc2Sc2c1ccc1ccccc21,1
S=c1ssnc1-c1ccccn1,1
CCC[C@H]1O[C@@H](c2ccco2)OC[C@@H]1CC,0
Cc1ccccc1NC(=O)NCCN1CC1,0
C=CC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C,1
Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(OCC(F)(F)F)cc12.[I-],1
Cn1c(-c2c(N)n(Cc3ccc(F)cc3)c3nc(C#N)c(C#N)nc23)nc2ccccc21,1
N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O,0
O=C(O)C(CCC(C(=O)O)c1ccccc1)c1ccccc1,0
CCCOC(=O)Nc1ccc([As](=O)(O)O)cc1NC(=O)OCCC,0
CCOC(=O)NCCCNC(=O)OCC,0
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CF)[C@H](O)[C@@H]2O)cc1Br,0
COc1cc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc(OC)c1O,1
CCOC(CN=Cc1cc(C)c2[nH]c3ccccc3c2c1C)OCC,0
O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F,1
CCCCCCCCCC(=O)CC(=O)c1c(O)cc(O)cc1O,1
C(=C/c1nccc2c1[nH]c1ccccc12)\c1ccccc1,1
CCOC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,1
CC[N@@+]1(C)CC[C@](O)(/C=C/c2ccc(Cl)c(Cl)c2)C(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1.[Br-],1
CC(=O)O.N=c1[nH]c(N)nc2ccc(CNc3ccc(Cl)c(Cl)c3)cc12,1
CCC[C@@H](C)Sc1nc2c(=S)n(C)c(=O)n(C)c2[nH]1,0
CC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21,0
O=C(O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2c1,0
CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1C(C)C,1
Cc1cc(=O)n(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)[nH]1,1
O=C(Nc1ccccc1)N1CCOCC1,0
COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1,0
CC(=Nc1ccccc1)c1c(O)[nH]c(Cc2ccc(O)cc2)c1O,1
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4,1
O=C(NCCCl)Nc1nc[nH]n1,0
CCN(CC)C[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1,0
COC(=O)C1=CS[C@]2(S1)C(C(=O)OC)=CSc1c2ssc1=O,1
COc1cc(C2c3cc4c(cc3C(Nc3cccc(CO)c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Oc1c2ccc[nH]c2c(O)c2c3cc(c12)CC3,1
CC(=O)N=C1C(=O)c2nc3n(c2C(=O)C1C)CC[C@H]3OC(C)=O,1
COc1ccc2cc(CNCCCN3CCN(CCCNCc4ccc5cc(OC)ccc5c4)CC3)ccc2c1.Cl,1
O=C(O)c1cccc([N+](=O)[O-])c1Br,0
C[C@@H]1[C@@H](O)[C@@]2(Oc3cc4c(c5c3[C@@H](C[C@H]5O)[C@H]2C)CC[C@@H]2Cc3nc5c(nc3C[C@@]42C)C[C@H]2CC[C@H]3C4=C[C@H]6O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@@H](C)[C@@]6(O)[C@]4(C)[C@@H](O)C[C@@H]3[C@]2(C)C5)OC1(C)C,1
CCOC(=O)CCC(=O)c1c2cccc(O)c2c(O)c2c(O)cc(C)cc12,1
O=C(Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1O,1
N#CC(=Cc1cc(Cl)cc(Cl)c1O)C(N)=O,0
O=c1cc(-c2cccc(F)c2)oc2ccccc12,0
CN(C)c1ccc(C=O)cc1,0
CCCCCCCCCCCCC[C@H](O)C[C@H](O)[C@H](C)N,1
Cc1ccc(C=CC(=NN=C(N)N)c2ccccc2)cc1,1
C[N+](C)([O-])CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
CCCCCCCC=CC1CCC(CN(C)C)C1=O.Cl,1
Nc1ccccc1S[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2,1
COc1cc(CN(C(C)=O)c2ccccc2C(=O)O)ccc1[N+](=O)[O-],0
COCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O,1
COC1C(=O)C2C(=O)OC(C)(O)C=CC=CC=CC=CC(c3ccccc3)NC(=O)C=CC=CC=CC=CC2(C)C1O,1
O=C1C(=Nc2cccc(O)c2)C(Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1,1
O=C1CCCCC1Nc1ccc(Cl)cc1,0
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCO)c2c1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NCc1cccc([N+](=O)[O-])c1)CC2,1
CC(C)(C)c1ccc2c(c1)C(O)(c1ccccc1)c1cc(C(C)(C)C)ccc1C2(O)C(F)(F)F,1
Cc1ccc(N=Cc2ccccc2O)cc1Cl,0
COP(=O)(CCCBr)OC,0
COc1cccc(/C=C/C(=O)c2ccccc2)c1,1
CC12CCCC(C(C#N)C(N)=O)(C1)NC(=O)C2C#N,0
NC(Cc1ccccc1)c1ccccc1,0
CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc2c1=O,0
c1ccc(P(=Nc2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
C/C=C(\C)C(=O)O[C@H]1C2C(C)CC(=O)C(=O)[C@]2(C)[C@H]2[C@@]3(O)OC[C@@]24[C@@H]1OC(=O)C(OC(C)=O)[C@H]4[C@H](C)[C@H]3O,1
O=C(O)CNC(=O)CNC(=O)OCc1ccccc1,0
Oc1ccc(C(O)(c2ccccc2)c2ccccc2)c2ccccc12,1
COc1cc(C=CC(=O)NCC2(O)CCC3C4CCc5cc(O)ccc5C4CCC32C)ccc1O,1
O=C1C(Cl)=C(N2CCN(c3ccccn3)CC2)C(=O)c2c(O)ccc(O)c21,1
CN(C)c1ccc(C=NNc2ccccn2)c(Cl)c1,0
CC1(C)/C(=C\CO)[C@H]2CC[C@@H]1C2,0
CN(CCCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc12)CCCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc12.Cl,1
BrCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-],1
O=C1C2=C(SCCS2)C(=O)c2ccccc21,1
CC(C)(C)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O,1
CCOC(=O)C1CCCC1=O,0
CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1,0
COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C,1
CN(C)CCNc1c2ccccc2nc2oc3ccccc3c12,1
COC(=O)/C=C/CCC#Cc1ccccc1C#CCC/C=C/C(=O)OC,1
NC(=S)NN=Cc1ncccc1O,1
COc1ccc2c(c1)C/C(=C\c1cccc3ccccc13)C2=O,1
O=C(c1ccccc1)c1ccccc1,0
Nc1nc(SCc2ccccc2)c2ncn([C@@H]3CCCO3)c2n1,0
CCO.Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1ncn2C1OC(CO)C(O)C1O,1
COC(=O)C1(C)CCCC2(C)C1CCC13OCC(CC21)C(O)(C(C)C)C3O,0
S=c1sc2ccccc2n1CNc1ccccc1,0
Cl.NCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
COc1ccc2nc3ccccc3c(NCCN(C)CCCl)c2c1.Cl,1
COC(=O)/C=C(/C(=O)OC)c1cc2ccc3c([nH]c4ccccc43)c(C)c-2c1,1
Cn1c2nc(=O)[nH]c(=O)c-2cc2ccccc21,0
O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@@H]2C=C[C@H]1C2,0
CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC,1
CCCC(CCC)Oc1ccc(CC=Cc2c(O)c(O)c3ccccc3c2O)cc1,1
Oc1cccc2c1NCCC2,1
CCc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(OC)c(OC)cc12.Cl,1
CC(=O)OC(C)(C)C(=O)Oc1ccccc1,0
COc1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1,0
COC(=O)C1CCCCCCC1=O,0
Cc1ccc(OCc2ccccc2Cl)cc1,0
Cl.N=C(N)c1ccc(OCc2cccc(COc3ccc(C(=N)N)cc3)c2)cc1,1
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl,0
C=CCSc1n[nH]c(-c2cccs2)n1,0
COc1ccc(/C=C/c2nc(=NCCCN(C)C)c3ccccc3[nH]2)cc1.Cl,1
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C,0
CC1=NC(C)=C(C(=O)OC(C)C)C(c2ccccc2C(F)(F)F)C1C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],1
O=C1N(C2CCCCC2)C(=O)N1C1CCCCC1,1
CC(=O)OCC(=O)C1CC[C@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0
C=C1C(=O)[C@]23[C@@H](OC(C)=O)C[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]4(C)[C@H]2C[C@@H](OC(C)=O)[C@H]1[C@@H]3OC(C)=O,1
CC1CCCC(C)C1=O,0
CC=C(C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCC)C(C)(OC(C)=O)CC(OC(=O)CCCC)C1(O)C2OC(=O)C1(C)O,1
Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O,1
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccc(O)cc1)C2.Cl,0
Cc1nc2ccccc2c2c(N)cccc12,0
CCOC(=O)C(C(=O)OCC)C(=O)C(C)(C)C,0
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OCc2ccccc21,1
C[C@H]1CCCc2c1nn(-c1cc(-c3ccccc3)no1)c2N,0
CC(=O)Nc1ccc(S(=O)(=O)NC2(c3ccccc3)C(=O)N(C)C(=O)N(C)C2=O)cc1,0
COC(=O)/C=C(\SC(=Nn1cc(C(=O)OC)c(C(=O)OC)c1-c1ccc(C)cc1)c1ccc(C)cc1)C(=O)OC,1
N=C(NOC(=O)Nc1ccc(CSc2ccc(Cl)cc2)o1)c1ccccn1,0
COc1cc2c(cc1OCCCCCCCCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O,1
Oc1c(Cl)cc(Cl)c(Cl)c1CN1CCOCC1,0
Cn1c2ccccc2c2c(=O)n(CCCC(=O)NCCc3c[nH]cn3)c3c(-c4ccccc4)nnn3c21,1
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(/C(C)=N/NC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
CC1=C[SH](c2ccccc2)c2cccc3cc4ccccc4c1c23,1
COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1.Cl,1
Clc1ccc2c(c1)N([C@H]1CCCN(Cc3ccccc3)C1)c1ccccc1S2.O=C(O)/C=C\C(=O)O,1
COc1ccc(C2=CCCCCC2)cc1OC,0
CCN(CC)C(=O)c1ccc(NC(=S)NC(N)=S)cc1,0
O=c1[nH]c2c(c(=O)[nH]1)OCN(Cc1ccccc1)C2,0
Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCCN,1
C=CC1=NC(C)(C)CC(C)O1,0
O=c1cc(-c2ccccc2F)[nH]c2ccc(N3CCCC3)cc12,1
COc1cc2ccc(C=O)cc2cc1OC,0
COc1cc2c(/C=C3/C(=O)Nc4ccccc43)c(Cl)n(Cc3ccc(Cl)cc3)c2cc1C,1
CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1)C(O)C(O)COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
CCOC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1C,0
CC(C)c1nc(Cl)c(Cl)c(Cl)n1,1
Cn1c(=O)c2[nH]c(C3CC4CCC3C4)nc2n(C)c1=O,0
O=C(O)c1ccc(CCCc2ccccc2)cc1,0
C=C1[C@@H](O)[C@]2(O)OC[C@@]34[C@H]1C(OC(=O)C/C=C/CCCCCCCC)C(=O)O[C@@H]3CC1C(C)CC(=O)C(=O)[C@]1(C)[C@@H]24,1
O=C(Nc1ccc(S(=O)(=O)F)cc1)Oc1ccc([N+](=O)[O-])cc1,0
Oc1cccc2c(Br)ccnc12,1
COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccccc1C3=O.Cl,1
Cc1cc(S(=O)(=O)Nc2nc(=O)n(-c3ccccc3)[nH]2)c(SCc2ccccc2)cc1Cl,0
[O-][N@+]12CCCC[C@@H]1CCC[C@H]2CO,0
CCCc1nnc(NS(=O)(=O)c2ccc(C)cc2)o1,0
CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,0
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,0
COC(=O)c1ccccc1[N+](=O)[O-],0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(N(C)C)cc43)[nH]c2c(OC)c1OC,1
CCCCCCCCC=CCCCCCCCC(=O)OCCCCC,0
Nc1ccc(SCc2nc3cccc4c3n2CCC4)cc1,0
C[C@H](O)CN1CCCC1,0
CCC(C)c1c(Cl)nc(Cl)nc1Cl,1
CCN(CC)CCCC(C)Nc1nc(C)cc(COC)n1,0
CCCCCCCCCCCCCC[S+](C)C.Cc1ccc(S(=O)(=O)[O-])cc1,1
CCN(CC)CCOCC[C@H]1CC[C@H]2[C@@H]3[C@H](C)Cc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C,1
Nc1nc(I)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,0
CCCCOC(=O)N1CCCCC1,0
O=c1c(Br)c(-c2ccccc2)[s+]([O-])c2ccccc12,1
CCCC=C(C#N)C(=O)OC,0
Cc1cc(N)cc(C)n1,0
Nc1o[nH]c(=O)c1C1CCCCC1,0
N=C1Cc2n(c(=O)c3ccccc3[n+]2-c2ccccc2)C1.[Cl-],0
O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Br)SCc1ccccc1,1
O=C1c2cccnc2C(=O)c2c1nc1ccccc1c2-c1cncc(-c2c3c(nc4ccccc24)C(=O)c2cccnc2C3=O)c1,1
CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O,0
COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)ccc(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)ccc(N)c2c1O.[Na+],0
CCN(CC)CCOCC1CC2C(C=C1C)C2(C)C,0
Cc1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1,0
O=C(CCCCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O,1
O=C1NC(=O)C(=Cc2ccc3ccccc3c2)C(=O)N1,0
CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1C)OCO3,1
C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O,0
Cn1cnc(N)c1C(N)=[Se],1
CCSc1nc(N/N=C/c2cccs2)c2cnn(CO)c2n1,1
Cc1cc2nnc3ccccc3n2n1,0
Cc1cccc(OC(=O)Oc2cccc(C)c2)c1,0
CC1(C[N+](=O)[O-])CCCC(=O)C1,0
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CNCCCN)OCO2,1
N=c1c(C(N)=O)cnc2n1CCCCC2,0
CNC(=O)c1ccc([N+](=O)[O-])cc1,0
Cl.O=C1C(Cl)=C(N2CCN(CCOCCO)CC2)C(=O)c2c(O)ccc(O)c21,1
COc1ccccc1C1CCCCC1,0
CC(=O)O[C@]1(C)CC(C)C(=O)C([C@@H](O)CC2CC(=O)NC(=O)C2)C1,1
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\[C@H](N)CN)OCO2,1
c1ccc2cc(N3CCCCC3)ccc2c1,0
COc1cc(N)c2nccc(C)c2c1OC,0
CC[C@]1([N+](=O)[O-])CO[C@H](c2ccc(OC)cc2)OC1,0
O=C1c2ccccc2S(=O)(=O)N1CCCN1C(=O)c2ccccc2S1(=O)=O,0
COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1,0
COc1cc(C=CC=C2CCCC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,1
COc1ccc(C=Cc2cc(OC)c3c(c2)OCO3)c(O)c1O,1
Cc1cccc(C)c1I,0
CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCNc1ccc(NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2c1C(=O)c1ccccc1C2=O,1
Nc1ccc(N)c2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O,1
CCOC(=O)C(Cc1ccccc1)P(=O)(OCC)OCC,0
NC(Cc1ccccc1)C(=O)O,0
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12,1
O=C(c1ccccc1)c1ccc(-c2ccc(O)cc2)cc1,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(C)=O)CC1OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1)C3=O,1
Cn1c(=O)c2c(nc(OC3CCCC3)n2C)n(C)c1=O,0
O=c1[nH]c2nc(Cl)nc(Cl)c2[nH]1,0
CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl,0
Cc1cccc(N2CCN(C(=S)c3ccccc3)CC2)c1,0
Cc1cc2c(cc1Cl)S/C(=N\c1ccc(Cl)cc1)N(S(=O)(=O)c1ccccc1)S2(=O)=O,1
CC(=O)Nc1ccc(C)cc1,0
O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,0
Cc1cccc(C=NOCCc2ccccc2)n1,0
Cl.O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCNCCNCCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O,1
O=C1CN[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1,0
O=C(/C=C/c1ccc(Cl)cc1)c1ccccc(=O)c1O,1
CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C,0
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1,1
O=C(O)C(C(=O)O)C1CCCC1,0
N=C(N/N=C/c1ccco1)C(N)=N/N=C\c1ccco1,0
CCC(C)CC(CC)NCCN1CCN(C(CC)CC(C)CC)C1=S,1
CC=C(CCC1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C,1
O=[N+]([O-])c1ccc(C2CC(c3ccccc3Cl)=Nc3ccccc3[S+]2[O-])cc1,1
CCN(CC)CCCNc1ncc(C)c2c1c1ccc3c(O)cccc3c1n2C,1
Cc1cc(C)nc(N)c1,0
ON=C(O)c1ccccc1F,0
NC(CS)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CS)c2c(O)c3c(c(O)c12)C(=O)C=CC3=O,1
O=C(O)c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1,1
CCCC1OCC2(CO)COC(CCC)N12,0
O=C(CS(=O)(=O)Cc1ccccc1)c1ccccc1,0
OC1CC2c3ccccc3C1c1ccccc12,0
O=C(c1ccc(Cl)nc1)c1cccs1,0
CC(O)CC(=O)NN,0
CCOP(=O)(OCC)C1CCC(=O)O1,0
OC(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C1CCCCN1,1
CC1(C)OC[C@@H](/C=C\CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)c1ccccc1,1
COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3nc12.Cl,1
COc1ccc(C(COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)=NO)cc1,1
O=S(=O)(O)c1ccc(O)c(N=Nc2ccc(O)cc2O)c1.[Na+],0
S=C(NCc1ccco1)NCc1ccco1,0
C=CCOC(=O)CCCCC,0
O=C(Cl)c1cccc2c([N+](=O)[O-])cccc12,0
C=C1C[C@@](COc2ccc3c(C)cc(=O)oc3c2)(c2ccccc2)OC1=O,1
COc1ccc(C(=NNc2ccccn2)c2ccccn2)cc1,1
Cl.NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
COC1CC(OS(=O)(=O)c2ccc(C)cc2)C(OS(=O)(=O)c2ccc(C)cc2)C(COS(=O)(=O)c2ccc(C)cc2)O1,1
Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c1O,1
Cc1ccc([S@+]([O-])c2occc2C=O)cc1,1
C=C(CN(C)C)C(=O)c1ccc(OC)cc1.Cl,1
O=C(OCCOC(=O)c1ccccc1)c1ccccc1,0
Cc1ccc(Cl)cc1N=C=S,0
CC[C@@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1,0
CC12O[Te]34OC1(C)C(C)(O3)C2(C)O4,1
CCC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3nnn2c31,1
Nc1ccc(S(=O)(=O)c2ccc(NO)cc2)cc1,0
C=C(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc(=O)oc4)C[C@H]4O[C@]342)C1,1
COCCOCn1c(NN)c(C#N)c2c(N)ncnc21,0
NNC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,1
Fc1ccc(C(OCCN2C[C@H]3C[C@@H]2CN3CCCc2ccccc2)c2ccc(F)cc2)cc1.O=C(O)C(=O)O,1
CC(=O)C(=Cn1c(=O)cc(O)[nH]c1=S)C(=O)Nc1ccccc1C,0
C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)N1CCOCC1,0
COc1ccc(C(=NNC(N)=O)C(OC)OC)cc1,0
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1sc(=S)n(-c2ccccc2)c1N,1
O=C1O[C@@H](OC/C(Br)=C(\Br)CO[C@@H]2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl,1
Cn1c(=O)c2[nH]c(C3CC3)nc2n(C)c1=O,0
O=[N+]([O-])c1ccc(/C=N/Nc2ccc(S(=O)(=O)O)cc2)cc1,0
COc1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2CCCN,1
CCO[P@](=O)(C[S@+](C)[O-])O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,1
CNC(=O)CCl,0
c1ccc2c(c1)OCc1nccn1-2,0
N#CNc1nc(=O)cc(O)[nH]1,0
Nc1c(-c2nc(=O)c3ccccc3[nH]2)c(O)cn1-c1cccc(Cl)c1,1
Nc1ncnc2c1ncn2Cc1ccc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c(OCc2cc(F)c(F)cc2F)c1,1
Cc1ccc2nc3c(n2c1)C(=O)C(=O)c1ccccc1-3,1
COc1cc(CC[C@@H](N)c2cccc(O)c2)cc(OC)c1OC,0
Nc1nc(SCc2ccccc2)c2[nH]cnc2n1,0
Cl.O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)nc1,0
CCOC(=O)CN1C(=O)c2ccccc2C1=O,0
Cc1cc(C)c(O)c(CN(C)Cc2cc(Cl)cc(Cl)c2O)c1,1
O=S(=O)(F)c1ccccc1,0
CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.O.O.O.[Cl-],1
O=C1NCN(C2CCCCC2)CN1,0
CCCC[C@@]1(C(OC)OC)NC(=O)N(C)C1=O,0
CCOCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
Cn1c(NN)nc(-c2ccco2)c(C#N)c1=O,0
C=CCNc1c(O)cc2c(O)c1C=C(C)C[C@@H](OC)[C@@H](OC(=O)CCN)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)N2.Cl,1
N#CC1=C2CCCCC2(O)NC1=O,0
COc1ccc(C(=O)Cn2c(C(C)=O)nc3ccccc32)cc1,1
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,1
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCN(C)C)c2c1,1
CC1(C)Cc2cccc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)c2O1.Cl,1
Cc1ccc(C(=O)c2ccccc2)c(C)c1,0
CCOC(=O)c1c2ncccc2n2c(=O)n(-c3ccccc3C)nnc12,0
COC1=C(NC2CCCCC2)C(=O)C(OC)=C(NC2CCCCC2)C1=O,0
Cc1cc(=O)c(C=NC(=S)NCc2ccccc2)c(O)o1,0
Cc1ccccc1Cc1nccc2c1[nH]c1ccccc12,0
N#Cc1c(NN)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12,1
CC1(C)CC(=O)NC1=O,0
O=C(O)C(=O)O,0
N#CC1(C(N)=O)OC12CCS(=O)(=O)c1ccccc12,0
N#CC(C=NC(=S)Nc1ccccc1)C(N)=O,0
Cc1cccc2ccccc12,0
CN(C)CCOc1ccc2c(c1)CCC2=O,0
COc1cc(-c2[nH]nnc2-c2ccncc2)cc(OC)c1OC,0
Cc1cc(Br)cc(Br)c1,0
CCN(CC)CCCN=c1[nH]ccc2c(C)c3c(cc12)c1cnccc1n3C.O=C(O)/C=C/C(=O)O,1
C=C1CC2(OC1=O)C(=O)N(C)c1ccc(I)cc12,1
CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23.Cl,1
NNC(=O)NNC(N)=O,0
O=C(O)C1=CCCC1,0
C#CC1(OC[C@@H](O)CO)CCCCC1,0
O=c1c2ccccc2n(-c2ccccc2)c2cc(Cl)ccc12,0
COc1cccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c1,1
COc1cc2c(C=C3C(=O)Nc4cccc(Cl)c43)c(Cl)[nH]c2cc1C,1
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccccc2)nc1,0
CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC,1
O=C1CCCC[C@@]1(O)Cc1ccc2c(c1)OCO2,0
COc1ccc2[nH]c3c(c(=O)c2c1)CCCC3,0
O=C(OCC1=CC(=O)c2ccccc2C1=O)c1ccccc1,1
COc1ccc(Br)c(C=O)c1O,0
COc1cc2c(cc1Cc1c(F)cccc1F)nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F,1
N#CCC(=O)N1CCCC1,0
C[PH2](C)C.C[PH2](C)C.C[PH2](C)C.Cl.[Ir+5].c1ccc2[nH]ccc2c1,1
COc1cccc2c1C(=O)OC2=O,0
Cl.O=[N+]([O-])c1cc(C2(N3CCCCC3)CCCCC2)sc1Br,1
COc1ccc2ccccc2c1[N+](=O)[O-],0
CCCCCCC#CC#Cc1cccc(=O)o1,1
O=[N+]([O-])c1cc2ccccc2c(O)c1O,0
CCOC(=O)C1CC(CCl)OC1=O,0
CC(C)(O)CN(C(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1,0
O=C(O)C(C(=O)O)c1ccccc1,0
Cc1ccc([SH](c2ccc(C)cc2)c2ccc(C)cc2)cc1,1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1ccc(Cl)cc1)CC2,1
C(=C1c2ccccc2-c2ccccc21)c1ccccn1,1
Nc1cc(Cl)nc(N)n1,0
C=CCCC1(CC(C)C)C(=O)NC(=S)NC1=O,0
CC(=O)O/C=C\O[C@@H]1CCCC1(c1ccccc1)c1ccccc1,1
CCCC[Sn+](CCCC)CCCC.[O-]c1ccc(Cl)cc1Cl,1
CCOc1ccc(C=C(C#N)C#N)cc1OCC,0
N#Cc1c(NC(=O)c2ccco2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-],0
Cc1cc(C(=O)C([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)ccc1Cl,0
CCNc1nc(Cl)nc(NCC)n1,0
CC(=O)NC1CCSC1=O,0
C(CCN1CCOCC1)CN1CCOCC1,0
COC(=O)C1=C[C@H](NC(=O)OCc2ccccc2)C(C(=O)c2ccccc2)C[C@@H]1Sc1ccccc1,1
COC(=O)Cc1[nH]c(SC)nc1C(=O)OC,0
CCN(CCCl)CCNc1c2ccccc2nc2ccc(OC)cc12.Cl,1
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,1
COc1ccc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2c1,0
CN1C=C(C(N)=O)[C@H]2C[C@H](O)[C@@](NC(=O)CS(N)(=O)=O)(C(=O)O)[C@@H]2C1,1
COC(=O)c1cc2oc(/C=C3/SC(=S)N(N)C3=O)cc2n1C,0
CCOC(=O)C1=NNC(C(=O)O)[C@H]1c1ccccc1,0
COc1ccc(/C(=C(/CC(=O)O)C(=O)OC(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC,0
CN(CCc1ccccn1)C(=S)NN=Cc1ccccn1,1
CCCCN(CCC#N)C(N)=O,0
Cc1cccc(OC(=O)Nc2ccc(C(=O)O)c(O)c2)c1,0
O=c1[nH]n(-c2ccccc2)c(=O)cc1Cl,0
COc1nc(=O)n(C2OC(CO)C(O)C2O)cc1C,0
O=C1Nc2ccc3c(c2C1=Cc1cc2c(cc1Br)OCO2)OCO3,1
N#CC(c1ccccc1)c1ccc(N=O)cc1,1
O=C(/C=C1\CC2C=Nc3ccccc3C(=O)N2C1)NCCCCNC(=O)/C=C1\CC2C=Nc3ccccc3C(=O)N2C1,1
CC1(C)CC2=NO[Se]3=C2C(=NO3)C1,1
CCCCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1,1
CC1(C)[C@@H]2C[C@H]1[C@@H](Cc1ccc(C[C@H]3c4cc(-c5ccccn5)ncc4[C@H]4C[C@@H]3C4(C)C)cc1)c1cc(-c3ccccn3)ncc12,1
COc1ccc2nc3cc(Cl)ccc3c(NCCCNCc3cc(OC)c(OC)c(OC)c3)c2c1,1
COc1cc(C2C3=C(O)OCC3C(NC3CCN(Cc4ccccc4)CC3)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
Cc1cccc(NC(=O)C(=O)C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C,1
Cc1c(NC(=O)C(=NNC(=S)N=N)C2C(=O)CC(C)(C)CC2=O)c(O)c2ccccc2c1O,1
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCO)c2c1,1
COc1cc2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2cc1[N+](=O)[O-],1
COC(=O)C1C=C[C@H](O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)n2c(=O)n(-c3ccccc3)c(=O)n21,1
Cc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-],1
O=C(c1ccccc1)c1cccs1,0
CCCn1c(N)c(C(=O)CNc2ccc(I)cc2)c(=O)[nH]c1=O,1
CCOC(=O)Nc1ccc2c(c1)C(=NNC(N)=S)c1ccccc1-2,1
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1,0
Oc1ccc2ccccc2c1N=Nc1nccs1,1
O=C1NC(=O)[C@]2(CC[C@H](C3CCCCC3)CC2)N1,0
O=C(CN1CCN(c2ncnc3ccccc23)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl,1
O=C1CC(=NCCc2ccccc2)c2ccccc2C1=O,1
OC1(C(Cl)(Cl)Cl)CCCCC1,0
Nc1ccccc1C#Cc1ccccc1C#Cc1ccc(OCCCCCCOc2ccc(C#Cc3ccccc3C#Cc3ccccc3N)cc2)cc1,0
Fc1cccc(-c2ncc(-c3ccccc3)o2)c1,0
O=C1C(=Nc2ccccn2)C(Cl)C(=O)c2ccccc21,1
O=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccco1,0
CCCC(C)NCCOC(=O)Nc1ccccc1,0
CN1c2ccncc2Sc2ccncc21,0
N#CC1C(=N)Cc2ccccc2-c2ccccc21,1
O=C1CC(=Nc2cccnc2)c2ccccc2C1=O,1
COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1.O=S(=O)(O)CCO,1
COc1cc(C(C)(C)C)cc(OC)c1C(O)(c1c(OC)cc(C(C)(C)C)cc1OC)c1c(OC)cc(C(C)(C)C)cc1OC,1
N#Cc1c(N)sc(=S)c2c1CCCC2,0
COC1OCC(OS(=O)(=O)c2ccc(C)cc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1,1
COc1cc(C=Cc2ccc(OC(C)=O)cc2)cc(OC)c1OC,1
O=NN1CCNC1=O,0
CN(C)CCNC(=O)c1cccc2cc3cc(O)ccc3nc12.Cl,1
CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2cc(OC)ccc12.O=P(O)(O)O,1
CC[C@@H](C)n1c(C)cc(=O)n1[C@H](C)CC,0
CCCCCCCCCCCCCCCC(=O)Oc1ccc(C(CC)=C(CC)c2ccc(OC(=O)CCCCCCCCCCCCCCC)cc2)cc1,0
O=C(c1ccccc1)C1CC=CCC1C(=O)c1ccccc1,0
CC1Cc2cc(O)ccc2C2C(O[N+](=O)[O-])CC3(C)C(O)CCC3C12,1
COc1cc(C2c3cc4c(cc3C(NC(=O)c3ccc(C#N)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Nc1nc(SCc2ccc(Cl)cc2Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,0
Nc1cc2c(cc1Cl)-c1ccccc1C2=NO,0
CCCC1CCCCN1C(=O)OC,0
O=C(CCCOc1ccc(Cl)cc1Cl)NC(Cc1ccccc1)C(=O)O,0
O=C(Cc1ccccn1)c1ccncc1,0
Cc1ccc(S(=O)(=O)NN=CC=NNS(=O)(=O)c2ccc(C)cc2)cc1,0
C=C1C(=O)O[C@H]2C=C(CO)C=C[C@@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@H]12,1
Cc1cc(=O)cc(C)n1-c1ccccc1,0
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12.[Na+],0
COc1ccc([P@@]2(=S)OCCO[P@@](=S)(c3ccc(OC)cc3)S2)cc1,1
CC1(C)CC(=O)NC(=O)C1,0
COc1cc(C(=O)N(C)C)cc(OC)c1OC,0
CCCc1cc(=O)n2c(C(=O)Nc3cccc(Cl)c3)c(C(=O)Nc3ccc(F)cc3)sc2n1,0
COC(=O)c1ccc(SCCCN2CCOCC2)cc1.Cl,0
Cc1cc(CSC(=N)N)c(CSC(=N)N)cc1C.Cl,0
Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1,1
S=C=N[C@H]1CC[C@@](c2cc3ccccc3s2)(N2CCCCC2)CC1,1
O=C(N=C(Cc1ccc(CC(=NC(=O)c2ccccc2)c2nc3ccccc3s2)cc1)c1nc2ccccc2s1)c1ccccc1,1
CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43,1
CCOC(=O)c1c[nH]cnc1=O,0
O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl,0
CCC(C)NCCO,0
O=c1ccc([N+](=O)[O-])c[nH]1,0
O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3CCOCC3)cc2)cc1,0
CC(=O)O.CNCCN=c1ccc2c3c1c(O)c1c(O)ccc(=O)c1c3[nH]n2CCNCCO,1
Cc1cccc(Cl)c1NC(=O)C(C)C,0
COC(=O)C(=Cc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccccc1,1
CCCCCCCCCCCCCCCn1nnnc1N,0
NC(=O)c1ccc(N2CCCC2)nc1,0
C[C@H]1O[C@@H]2O[C@@H]3[C@H](OC[C@@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4,1
O=C1C(=O)C(CC=C(Br)Br)C(=O)c2ccccc21,1
C=c1c(C(=O)CCCCC(=O)NCC)c(C)[nH]c1=Cc1[nH]c(-c2ccc[nH]2)cc1OC.Cl,1
O=C1OC=N/C1=C\c1ccccc1,0
Cn1cnc2[nH]cnc2c1=S,0
CC(=O)O[C@@H]1C=CCC2C(=O)c3cccc(O)c3[C@H](O)C21,0
Cc1ccc(S(=O)(=O)Oc2nncc(-c3ccccc3)n2)cc1,0
N=C(NCl)C(Cl)(Cl)Cl,0
CCC(CC)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0
COc1cc(N(C(C)=O)c2ccc(O)cc2)c2ncccc2c1,0
c1ccc([PH](CCN2Cc3ccccc3C2)(c2ccccc2)c2ccccc2)cc1,1
Nc1cccc2cccc(S(=O)(=O)O)c12,0
COCCCNc1ncnc2[nH]ncc12.Cl,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCNC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1.CCS(=O)(=O)O,1
COc1ccc2[nH]c(Cl)c(C=C3C(=O)Nc4cc(C)c(OC)cc43)c2c1,1
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1,1
CC(C)C[C@H](NC(=O)C(Cc1cccc2ccccc12)NC(=O)N1CCOCC1)B(O)O,1
CCOC(=O)Cn1cnc2cc(C)c(C)cc21,0
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H]([S@@+]([O-])CCN)CC(=O)O1,1
Cc1cc(C)c2c(=O)cc(-c3ccccc3)[nH]c2c1,1
Clc1ccc(Cl)c(NNc2cc(Cl)ccc2Cl)c1,1
CC(=C/[C@H](C)[C@@H](O[C@H]1C[C@@H](O)[C@H](O)[C@H](C)O1)C(C)C)/C=C/C=C/C=C/C=C/C=C/C(=O)c1c(O)c(CCC(=O)O)n(C)c1O.[Na+],1
CCOC(=O)c1c(CN2CCN(C)CC2)nc2ccc(Cl)cc2c1-c1ccccc1,1
CCOC(=O)C(C#N)=Cc1cccc(Br)c1,0
O=C(COc1ccc(/C=C2\Oc3ccc4ccccc4c3C2=O)cc1)c1ccc([N+](=O)[O-])cc1,1
CCCCC(=O)N(CCC)CCC,0
CN(C)Cc1cc(C(=O)C=Cc2ccc(N)cc2)cc(CN(C)C)c1O.Cl,0
Nc1nc(Cl)c2ncn(Cc3ccccc3CCl)c2n1,1
O=C(c1ccc2c(c1)OCO2)c1ccc[nH]1,0
CC(=O)O/C(=C(/C#N)C(=O)O)[C@@H]1C(C(=O)O)[C@@H](c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1ccncc1,1
CC1=CC2(C)/C=C(C)/C=C\CC(O)/C=C3/C=C/C(=C4\C(=O)OC2(CC1C)C4=O)OC3,1
Cl.Clc1ccc(CSC2=NCCN2)cc1,0
CC(=O)Nc1ccc(S(=O)(=O)O)c2ccccc12,0
O=C(/C=C/c1ccccc1F)C(c1ccccc1)c1ccccc1,1
CSc1cc(SC)ncn1,0
C1CN(C[C@H]2CO[C@H](CN3CCOCC3)CO2)CCO1,0
C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(=C)C)c1=O,0
ClCc1cccc2c(CCl)cccc12,1
O=C1NC(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S1,0
CCCCn1cnc2c(=S)[nH]cnc21,0
O=C(C(O)C(O)c1cccc(Cl)c1)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,1
CC(=Cc1cccs1)C(=O)c1ccccc1,0
COc1ccc(-c2c(C#N)c(N)nc3c2CCCc2ccc(F)cc2-3)cc1OC,1
CCSC(SCC)c1ccc(Cl)cc1,0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CO)c3)nc21,1
O=c1[nH]c2ccc([N+](=O)[O-])c(Cl)c2c2ccccc12,1
CO[C@@H]1C2=CC=CC=C[C@H]2n2c(=O)n(C)c(=O)n21,0
Cc1cc(O)cc(C)c1Cl,0
CC[C@@H](C)OC(=O)c1ccccc1C(=O)O,0
CC(CN(C)C)C(=O)C=Cc1ccc(Cl)c(Cl)c1,1
Cc1c[n+]2ccccc2n1C.[Br-],0
CNC(=O)O/N=C(\SC)C(=O)N(C)C,0
CCC(C(C)=O)c1ccccc1,0
C[C@@H]1CC(=Cc2ccc(N)cc2)C(=O)O1,0
O=S1(=O)CCN(c2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)CC1,1
CN(C)c1nc2sc3cc(Cl)c(Cl)cc3n2c(=O)c1C#N,0
Clc1ccc(C2=C[C@@H](c3ccccc3)N3C(=N2)N[C@H]2CCCC[C@@H]23)cc1,1
C=CC[C@]1(C2=NC(C)(C)CO2)c2ccccc2-c2ccccc2C1C(C)=O,1
O=C1CC2OCCC3=CN4CCC56c7ccccc7N1C5C2C3CC46,0
COc1ccc(N)c2c1C(=O)c1ccccc1C2=O,0
C/C(=N\NC(=S)N1C[C@H]2CC[C@H](CC2)C1)c1cccc[n+]1[O-],1
O=[N+]([O-])c1cc([N+](=O)[O-])c(C(F)(F)F)cc1NN=C(c1ccc(O)cc1)c1ccc(O)cc1,1
CCCC[Sn+2]CCCC.[O-]N=C(c1ccccc1)[C@H]([O-])c1ccccc1,1
C=C1c2nc3ccccc3n2C=C(c2cccc(Cl)c2)N1Cc1ccc(OC)cc1,1
CN(C)c1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1,1
Clc1ccc(-c2csc(Nc3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1,1
Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Cl-],1
Nc1nncc(-c2ccccc2)n1,0
CC1(C)NC(=O)NC1=O,0
COC(=O)C=CC(=O)NC(N)=O,0
Cc1ccc(S(=O)(=O)c2ccccc2)cc1,1
O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+],0
CCC(=O)OC1=C(c2ccccc2)Sc2ccc(Cl)cc2-n2cccc21,1
OCC(Cl)(Cl)C(Cl)(Cl)CO,0
COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1,1
O=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12,0
CCN(CC)c1ccc(C=NNC(=O)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c(O)c1,1
CC(=O)N(C)c1ccc([N+](=O)[O-])cc1,0
CCCCCCC(C)N1C(=O)c2ccccc2C1=O,0
CCCCCCCc1c(Cl)nc(Cl)nc1Cl,1
CCCC=Nc1ccccc1,0
O=[N+]([O-])C(=CC=Cc1ccccc1)c1ccccc1,1
O=C(c1cccs1)C1CC1,0
Cn1c(N)cc(=O)[nH]c1=S,0
Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,1
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC,1
CCNC(=S)NN=C(C)c1cccc(C)n1,1
Cc1cc(C)c(C(=O)c2cccs2)c(C)c1,0
OCc1ccc2c(c1)C[C@@]1(Cc3ccc(C=NO)cc3C1)C2,1
C=CCN(CC=C)CC(=O)Nn1c(C)ccc1C,0
CC(=NNC(=S)NNC(=S)N(C)c1ccccc1)c1ccccn1,1
C/C(=N\N=c1/scc(O)n1-c1ccccc1)c1ccco1,0
Cc1ccc(O)c(C(c2cccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)c2)c2cc(C)ccc2O)c1,1
O=C1C(SCCO)=C(SCCO)C(=O)C(SCCO)=C1SCCO,0
CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1,1
O=c1[nH]c(=O)n(Cc2ccccc2Cn2cc(F)c(=O)[nH]c2=O)cc1F,0
NCCCN(CCCCN(CCCN)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1.O=C(O)C(F)(F)F,1
N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ccc(F)cc4)n3)cc2)nc1N,0
CCCCCCCCCCCC(=NO)c1ccccc1,0
COc1cc2c(C=C3C(=O)Nc4ccc(F)cc43)c(Cl)n(Cc3ccccc3)c2cc1C,1
Cn1c(NN)nc2ccccc2c1=O,0
CSC1=NCCN1.I,0
Brc1cc2c(cc1Br)OCO2,0
Cn1ncc2c(NCCO)ncnc21,0
NC(=S)NN=Cc1nccc2c(N)cccc12,1
CC(=NNC(=S)NCCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,1
O=C(O)COc1ccc(Cl)cc1Cl,0
Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1cc(Cl)cc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1,0
CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2.O=C(O)C(O)C(O)C(=O)O,1
O=C1CC(=NCC(c2ccccc2)c2ccccc2)C(=O)c2ncccc21,1
Cc1ccc(Nc2c(O)[nH]cnc2=O)cc1C,0
Clc1ccc(/N=C/c2ccccc2)cc1,0
CCCC(=O)NC(C)C(=O)Nc1ccccc1C(=O)OCC,0
O=c1c2cc(I)ccc2nc(-c2cccs2)n1Nc1ccccc1,1
Cc1nc2cc(Cl)ccc2s1,0
COc1nc2c(c(=O)n1C)CN(Cc1ccccc1)C(=O)CN2,0
Oc1oc(O)c2c1[C@@H]1C=C[C@H]2C1,0
CN1N=CS[C@]12C(=O)N(c1ccc(Cl)cc1)C(=O)N2c1ccc(Cl)cc1,1
Cn1c(N)c(NC(=O)CC#N)c(=O)n(C)c1=O,0
O=C1c2ccccc2C(=O)N1N=Cc1cc(Br)ccc1O,0
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(N)c2c1,1
CCN(CC)CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2,1
CCCCNC(=O)NO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O,0
C(=C/c1ccc(/C=C/c2ccccc2)nn1)\c1ccccc1,0
CCC(C(N)=O)C(N)=O,0
C[C@@H]1CN(C(=O)CCOS(C)(=O)=O)[C@@H](C)CN1C(=O)CCOS(C)(=O)=O,0
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)=CC(C)C(OC(=O)CN(C)C)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C.CS(=O)(=O)O,1
O=c1[nH]c(=S)[nH]c2[nH]cnc12,0
CC(O)CN1CCN(CC(C)O)C(C)C1,0
Cc1ccc(O)cc1C=C(Cl)Cl,0
Cc1ccc(NC(=O)c2ccccc2)c(C)c1,0
Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1,1
CCOc1ccc(NC(C)=O)cc1,0
CN(C)Cc1c(O)ccc2c1c1c(n2C)C(=O)c2ccccc2C1=O,1
C=CC(=O)OCC(C)(C)COC(=O)C=C,0
O=S(=O)(c1ccccc1)N1CCCCC1,0
COC(=O)C1=C(C)N=C(CF)C(C(=O)OC)C1c1cccc2c(=O)c3ccccc3oc12,1
OCCN1CCN(c2nc(N3CCCC3)c3nc(Cl)c(NCc4ccccc4)nc3n2)CC1,1
C(CCCCCCCCCCOC1CCCCC1)CCCCCCCCCOC1CCCCC1,0
O=C1NC(=O)c2cc([N+](=O)[O-])ccc21.[K+],0
CCCCCN(CCCCC)CCCN=c1c2c([nH]c3ccc(Cl)cc13)CCCC2.O=P(O)(O)O,1
O=c1cc(-c2ccccc2)[nH]c2cc(-c3ccco3)nn12,1
CCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC,1
CCC(CC)(Cc1ccccc1)C(=O)O,0
O=C(O)c1ccccc1C(=O)c1ccccc1,0
COc1ccc(C2C3CC4C(OC(=O)C42)C3I)cc1,0
O=c1[nH]c(=S)n2c(c1-c1ccccc1)OC(CBr)C2,0
Cc1csc2c1C(=O)c1ccsc1C2=O,1
O=C(NN=Cc1ccccc1O)C1CC1,0
O=c1cc(C=NNc2ccccc2)[nH]c(=O)[nH]1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(CC(O)(C(=O)CO)CC1OC1CC(NCCOCC(OC(C)=O)OC(C)=O)C(O)C(C)O1)C3=O.Cl,1
CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1.Cl,0
CCCC[Sn+2]CCCC.[O-]C[C@@H]([O-])CN1CCCCC1,1
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3.O=S(=O)(O)O,0
CC(C(N)=O)N1CCN(c2ccccc2Cl)CC1,0
O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccccc2)c(=O)n1-c1ccccc1,1
Cc1nc2ccccc2c(=O)o1,0
CC/C(=C\c1ccc(N(C)C)cc1)c1nc(=O)c2ccccc2[nH]1,0
COc1ccc(NC(=O)N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1,0
CN(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1,0
CN(C)CCCN=C1C(=O)c2ccccc2C(=O)C1Cl,1
CCCCCCCC(=O)P(=O)(OCC)OCC,0
Fc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1,0
Oc1ccc(CN2CCOCC2)c(O)c1O,0
N#Cc1ccc([C@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1,1
CCN(C(C)=O)c1ccc([N+](=O)[O-])cc1,0
O=CNc1c(Cl)cc2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2,1
CCCC[Sn+](CCCC)CCCC.COC(C(=O)[O-])c1ccccc1,1
CCN(CC)c1ccc2nc3c(cc(NCc4ccccc4)c4ccccc43)[o+]c2c1.[Cl-],1
Cc1ncc(CCO)c(CO)c1O.Cl,0
O=C1c2ccccc2C(=O)c2sc(Nc3cc(Cl)ccc3Cl)nc21,1
O=[N+]([O-])c1ccccc1[IH]c1ccccc1,0
CN(C)B(N(C)C)N(C)C,0
CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Cl)cc1.Cl,1
COc1ccc(OC(=O)C[C@H]2Cc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc1,1
CCCC(=O)Oc1ccc(C(C)C)cc1,0
CCOC(=O)NC(C)c1ccccc1,0
CC(=Nc1ccccc1)c1c(O)[nH]c(Cc2ccccc2)c1O,1
CS(=O)(=O)O.Cc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O,1
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C,1
Nc1nc(=O)c2cc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)ccc2[nH]1,1
NC(Cc1c[nH]c2ccccc12)C(=O)O,0
O=c1nccc[nH]1,0
Cc1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1C,0
CN(C)CCNC(=O)c1cc(Cl)cc2ccc(-c3ccccc3)nc12.Cl,1
O=C(NCCN(CCNC(=O)C(=O)c1c[nH]c2ccccc12)CCNC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1cc2ccccc2[nH]1,0
CNC(=O)Oc1ccccc1C(Cl)(Cl)Cl,0
C=CCOC(=O)C(C(=O)Cc1ccccc1)c1ccccc1,0
O=C(/C=C/c1ccc(Cl)s1)c1ccc(Cl)s1,0
Nc1c(-c2nc(-c3ccc(F)cc3)cs2)c(O)cn1CCCN1CCOCC1,0
CSP(=S)(SC(C)C)SC(C)C,0
C=C1CC2(CCOc3ccc(Cl)cc32)OC1=O,1
Cc1ccnc2[nH]c(-c3cccc(Cl)c3)cc(=O)c12,1
O=[N+]([O-])c1ccc2c(c1)Nc1c3ccccc3nc3cccc-2c13,1
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314.[Cl-].[H+],0
c1ccc(N(CSc2nc3ccccc3s2)c2ccccc2)cc1,0
Cc1c(C(=O)c2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-],1
CC(=O)Nc1ccc(NC(=O)/C=C\C(=O)O)cc1,0
CC(=O)Nc1ccc(S(=O)(=O)O)c(OC(C)=O)c1.c1ccncc1,0
O=C(C[n+]1ccccc1)N=NC(C(=O)Nc1c(Cl)c(O)c2ccccc2c1O)=C1C(=O)Oc2cc(O)ccc2C1=O.[Cl-],1
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)c1ccc(F)cc1)CC2,1
CN1CCc2cc3c4cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc(O)c(c2O4)O3)CCN1C,1
Cc1ccc(N2CCNCC2C)cc1,0
N#CC(C#N)=Cc1ccc(F)cc1,0
COc1ccc(-c2c3c(nc4[nH]cnc(=O)c24)C(C)CCC3)cc1,0
O=C(O)C1C(C(=O)Nc2nccs2)[C@H]2CCCCC2=C2CCCC[C@@H]21,0
O=C1c2ccccc2CCc2ccccc21,0
COC(=O)c1ccc(C(=O)OC)c2nn3c(N)nnc3nc12,0
O=C1CC[C@@H](c2ccccc2)N1c1ccccc1,0
C=CCc1cccc(C=NNC(N)=NO)c1O.Cc1ccc(S(=O)(=O)O)cc1,1
COc1cc(C2C3=C(O)OCC3C(N(C)c3ccc(N(C)C)cc3)c3cc4c(cc32)OCO4)cc(OC)c1O.Cl,1
O=C(O)c1ccccc1OP(=O)(O)O,0
COC(=O)C1C(=O)C(C(=O)OC)[C@]2(O)C(C(=O)OC)[C@H]1C[C@@H](c1ccc(OC(=O)/C=C/c3ccccc3)cc1)C2C(=O)OC,1
O=C1C(O)CCN1Cc1ccccc1,0
CCCc1cc(=O)[nH]c(S[C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)n1,0
CCCOC(=O)c1ccc(N)cc1,0
C[C@H]1O[C@H](n2cnc3c(=S)[nH]cnc32)[C@@H](O)[C@H]1O,0
FC(F)(F)c1cccc(OC[C@@H]2CNC(=S)O2)c1,0
O=C(O)COc1ccc(C(=O)/C(SS/C(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2\C=C(c3ccc(Br)cc3)SS2)=C2/C=C(c3ccc(Br)cc3)SS2)c(Cl)c1Cl,1
CC(=O)OC[C@H](OC(C)=O)c1ccccc1,0
COC(=O)C1CC(C(=O)OC)[C@H]2C(C(=O)OC)CC(C(=O)OC)[C@@H]12,0
C=C1C(=O)O[C@@H]2C[C@H]1CC[C@@]1(C)O[C@H]1CC/C(C)=C/CC[C@]2(C)O,1
CCN(CC)CCOc1cc(C)ccc1C,0
CC(=O)O[C@H]1Oc2ccc(C)cc2-c2oc(=O)c(-c3cc4ccccc4oc3=O)cc21,1
CSc1nc2c(SC)nc(N)nc2[nH]1,0
NCC(=O)Nc1ccc(O)c(C(=O)O)c1,0
CCC(=CCO)c1ccccc1,0
CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],0
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1S[As](C)C,1
C[N@+]12CC[C@@]34c5ccccc5N[C@@H]3[C@@H]3[C@H](C[C@H]41)C(=CCO[C@@H]3CC(=O)[O-])C2,0
COc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
Oc1c2ccc[nH]c2c(O)c2c3cc(c12)CC3,1
CCOC(=O)N1C[C@@H](C)N(C(=S)Nc2ccccc2)C[C@@H]1C,0
COc1ccc([N+](=O)[O-])cc1OC,0
CN(Cc1ccccc1)C(=O)OCCO,0
CCSCN1C[C@@H](C)N(CSCC)C[C@H]1C,0
COc1ccc(Cn2c3c(cc(OS(=O)(=O)C(F)(F)F)c2=O)Cc2ccccc2-3)cc1,1
OCn1nnc2ccccc21,0
COc1ccc(-c2[nH]ncc2Nc2cc(OC)c(OC)c(OC)c2)cc1,1
CC[C@]12C=CCN3CC[C@]4(C(=Nc5ccccc54)C(C(=O)OC)[C@@H]1O)[C@@H]32,1
Clc1ncnc2[nH]ccc12,0
OCCn1nnc2ccccc21,0
C[C@@H](c1ccccc1)[C@](C)(C#N)c1ccccc1,0
Clc1ccc(OC[C@@H]2CO2)c(Cl)c1,0
O=[N+]([O-])c1cccc2nsnc12,0
Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1,0
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,1
C1CCC(NC2CCCCC2)CC1.O=C(O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)/N=C/c1cccs1,1
O=C1Nc2ccccc2C1=Nc1ccccc1,0
O=Cc1cc2c(s1)C(=O)c1sccc1C2=O,1
CC(C)=C1CC[C@@H](C)CC1=NNC(N)=S,0
CN1CCN(Cn2nc(-c3cc(Cl)cc(Cl)c3Cl)oc2=S)CC1,0
N#Cc1cnn(-c2cccc(Cl)c2)c1-n1cccc1,0
CCCC[Sn+2]CCCC.O=C([O-])c1c(F)cccc1F.O=C([O-])c1c(F)cccc1F,1
Cl.c1ccc([C@@H]2CN3CCSC3=N2)cc1,0
O=C(c1ccc(F)cc1)N(CCCl)CCCl,0
O=C1OCCN1c1ccccc1,0
Oc1ccc(C=Cc2cccc(C=Cc3ccc(O)c(O)c3)n2)cc1O,1
CC1(C)N=C(N)N=C(N)N1c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1.CCS(=O)(=O)O,1
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(=O)C3C(=O)c4ccccc4C(=O)[C@]132,1
NC(=NN=Cc1c[nH]c2ccccc12)Nc1ccccc1.ON(O)O,1
Cc1ccc(S(=O)(=O)C(C#N)=Cn2ccc(=O)[nH]c2=S)cc1,0
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O.[Na+],0
NCCCNCCCCN1CC1,1
CC(NC(=O)N1CC1(C)C)c1ccccc1,0
CS(N)(=O)=O,0
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1,1
CC1=C(C#N)C(=O)N[C@@H](C)C1,0
S=c1[nH]cc2cnccn12,0
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21,1
COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CNCCN(C)C)CC2)nc2ccccc12,1
O=C1c2ccccc2C(=O)c2c(OCC3CO3)ccc(OCC3CO3)c21,1
CCN(CC)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
O=C(O)[C@@](O)(c1ccccc1)C1CCCC1,0
Cc1ccc([C@@H]2NC(=O)c3ccccc3N2)c(C)c1,1
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1,1
O=c1[nH]c(Nc2cccc(Cl)c2)nc2nc(Nc3ccc(NC(=S)Nc4ccccc4)cc3)nc(-c3ccc(O)cc3O)c12,0
O=C1C(=Cc2ccc3cccc(Cl)c3n2)C(=O)c2ccccc21,0
Cc1ccc(Cc2ccc(C)cc2)cc1,0
CC1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1,0
CC(=O)N(C)c1cc([N+](=O)[O-])ccc1OCc1ccccc1,0
CCN(CC)CCCC(C)NC(=S)NN=C(C)c1ccccn1,1
CN(CCCN=c1ccc2ncn3c4ccccc4c(O)c1c23)CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O.CS(=O)(=O)O,1
N#CC(C#N)=Cc1cccc(F)c1,0
COc1cc(C[C@@H](C)N[C@@H](C)c2ccccc2)cc(OC)c1,1
CC(C)C(NC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1,0
CCN(CC)CCNc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12,1
CCc1c(O)[nH]c(=O)[nH]c1=O,0
C=C(C)CNCC(=C)C,0
COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C(CC[C@H]12)C[C@@H](CC(OC(C)=O)OC(C)=O)[C@@H](C)C3,1
Cc1ccc([C@@H](C)CO)cc1,0
O=c1[nH][nH]c(-c2ccccc2)c1-c1ccccc1,0
O=C(O)C1Cc2[nH]cnc2CN1CO,0
COc1ccc(CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC,0
CC(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
COc1cc(/C=N/OC(=O)Nc2ccccc2)cc(OC)c1OC,0
O=C(O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12,0
Oc1cc2oc3cc(O)c(O)cc3c2cc1O,0
O=C(O)CCC(=O)c1ccc(Cl)c(Cl)c1,0
Cc1cc(C)n(C(=N)NC(=O)c2ccc([N+](=O)[O-])cc2)n1,0
CCCC[Sn+2]CCCC.O=C([O-])C=Cc1ccccc1F.O=C([O-])C=Cc1ccccc1F,1
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(N)cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Br)o1,0
CC1(C)OC[C@@H](CCCOCc2ccccc2)O1,0
BrCCN(CCBr)c1ccc2c(c1)Cc1ccccc1-2,1
CS(=O)(=O)Nc1ccc(C(=O)CCN2CCCCCC2)cc1.Cl,0
CC(=O)c1ccc2[nH]c3ccccc3c2c1,0
COc1cc(C(=O)OCCC(C)C)cc(OC)c1O,0
CC1(C)CCCN1CCC(C(N)=O)(c1ccccc1)c1ccccc1,0
[O-]c1cccc2cccnc12.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1,1
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)O,1
Oc1cc(-c2ccccc2)cn2c1nc1ccccc12,1
CCCC[Sn+2]CCCC.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F,1
CC(C)(N)COC(=O)c1ccccc1,0
CNC(=O)/C(=C/c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
S=C(NCc1ccccc1)NN=Cc1ccccn1,1
[Cl-].[H+].c1ccc2c(c1)CCCC2C1=NCCN1,0
O=C(O)c1cccc2c1-c1ccc(Cl)cc1C2=O,0
Cc1ccc(-n2cnc3c(N/N=c4\scc(O)n4-c4ccccc4)ncnc32)cc1,1
Cc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,1
Oc1c(Br)cc(-c2ccccc2)cc1Br,0
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)C(C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC,1
CC(=NNC(=S)N1CCN(C(=S)NN=C(C)c2ccccn2)CC1)c1ccccn1,1
C1CCN(CC2CCCCN2)CC1,0
C=C1[C@@H](OC/C=C/CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H](C2=C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,1
O=C(N/N=C/c1cccc(S(=O)(=O)O)c1)c1ccncc1.[Na+],0
O=S(=O)(O)c1cccc2cccc(Cl)c12.[Na+],0
CCOC(=O)c1ncn(Cc2ccccc2)c1-n1cccc1,0
COc1cc([C@H](c2ccc3c(c2)OCO3)C2SCCCS2)cc(OC)c1OC,1
COC1=CC(=O)OC(c2ccco2)C1,0
CSc1ncnc2c1ncn2CC(=O)C1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,1
COC(=O)CCc1c[nH]c2ccc([N+](=O)[O-])cc12,0
COc1ccc(-c2nc3sccn3c2/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1,1
Cc1cc(C2(c3cc(C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(C)c(Br)c1O,0
C[C@@H]1[C@@H](C)N(C(=O)CCl)c2ccccc2N1C(=O)CCl,1
Cc1nn(-c2ccc(Cl)cc2Cl)c(=O)n1C#N,0
Oc1c2c(c(O)n1-c1nccs1)CC=CC2,0
NC(=O)NN=Cc1ccc([N+](=O)[O-])o1,0
O=C(NCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12,1
COc1cc(-n2cc(-c3ccc(S(C)(=O)=O)cc3)[nH]c2=O)cc(OC)c1OC,0
CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)CC1O,1
Clc1ccc(-c2ccccc2)nn1,0
C#Cc1c(C)cc(C)c(Br)c1C,0
CC(C)N1CC(C)(C)NC1=S,0
COc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)ccc1O,0
CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC3OC34C3CC(O)C56OC5C=CC(=O)C6(C)C3CCC42C)C1.CC1=C(C)C(=O)OC(C(C)(O)C2(O)CC3OC34C3CC(O)C56OC5C=CC(=O)C6(C)C3CCC42C)C1,1
CC=CC1OCCC(C)O1,0
BrCCc1ccccc1,0
ClCc1cccc(Cn2cnc3c(Cl)ncnc32)c1,1
COC(=O)c1ccc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1,1
CNc1nc(Cl)nc2ncn(C)c12,0
COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN(CCCl)CCCl,1
C/C(=N\NC(=S)N1CCCCCC1)c1cccc2cccnc12,1
CCC(CC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1,0
O=C(SSC(=O)c1ccccc1)c1ccccc1,0
O=Cc1ccc([N+](=O)[O-])cc1,0
CC(=O)c1ccc2cc3c(cc2c1)OCO3,0
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@@H](C)[C@H](O)[C@@H]2O)O[C@@H](C)[C@@H]1O,1
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C,1
CC1(C)CC(C(=O)O)C(=O)O1,0
CCOC(=O)C1CSCC1C(=O)OCC,0
CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F,1
Cn1c(O)c(N=O)c(=O)n(C)c1=O,0
Cc1nc2c(n1Cc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O,1
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c(O)c([C@H]3C[C@](C)(N(C)C)[C@H](O)[C@@H](C)O3)cc([C@H]3C[C@H](N(C)C)[C@H](O)[C@@H](C)O3)c1C2=O,1
O=C(CCCCCC1CCCCC1)OC1CCCCC1,0
CC(=O)NC1C(S[As](C)C)OC(CO)C(O)C1O,1
COc1ccn(C)c(=O)n1,0
COc1ccc(C2c3cc4c(c(OC)c3CC3OCC(=O)C32)OCO4)cc1OC,1
Cn1c(=O)ccc2ccccc21,0
CCCCCCCCC(C)C(=O)N1CCCC1C(=O)N1C(C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)CCO)[C@H](C)CC)C[C@H](C)C[C@@H]1CC(=O)CC,1
CS(=O)(=O)c1cc(=O)[nH]c(=O)[nH]1,0
O=C1N=C(C=c2ccc(=Cc3[nH]c(=O)[nH]c3O)cc2)C(=O)N1,0
COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CCCC[C@@]4(C[C@@H](O)[C@H](C5=CC(=O)OC5)[C@@H](C5=CC(=O)OC5)[C@H](O)C[C@@]56CCCC[C@H]7[C@@H](C)[C@H](C[C@@H]8[C@]7(C)CC[C@@H](O)[C@@]8(C)C(=O)OC)O[C@H]([C@@H](O)[C@H](O)O5)[C@H]6O)O[C@H](O)[C@@H](O)[C@H](O[C@H](C[C@@H]21)[C@H]3C)[C@@H]4O,1
CCOC(=O)c1cc(C)[nH]c(=O)c1C#N,0
Nc1nc(=O)c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(N)[nH]1,0
Nc1nc(-c2ccccc2)nc2nonc12,0
O=[As](O)(c1cccc(O)c1)c1cccc(O)c1,0
CCC(C)C1CCC(O)CC1C,0
Cc1ccc(C(=O)O)s1,0
COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1.Cl,1
Brc1ccc2[nH]cc(-c3csc(-c4c[nH]c5ccccc45)n3)c2c1,1
CCCN(CCC)C(=S)NN=Cc1ccccn1,1
O=C(O)c1ccccc1Sc1ccc([N+](=O)[O-])cn1,0
CCC1C(=O)OCC1Cc1cncn1C.O=[N+]([O-])O,0
CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1,1
C[C@H](c1c[nH]c2ccccc12)N1CCCCC1,0
C[C@]12CCC3c4c(O)c5c(c(O)c4CCC3[C@@H]1CCC2=O)O5,1
O=C(c1ccccc1)C(c1ccccc1)c1ccccc1,0
CCOC(=O)CS,0
O=C(Nc1ccccc1C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0
COc1cc2c(cc1OCCCCCN1CCN(c3cc(=O)oc4ccccc34)CC1)N=CC1CCCN1C2=O,1
Cc1cc(Cl)cc2sc(=S)[nH]c12,0
FC(F)c1nc2nc(Cl)c(Cl)nc2[nH]1,0
Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1cc(Cl)ccc1Cl,1
Cc1cc(NC(=O)NC(=O)c2ccccc2N(C)C)ccc1Oc1ncc(Br)cn1,1
O=c1[nH]c(O)cn1/N=C/c1ccc([N+](=O)[O-])o1,0
Cc1cccc(NC(=O)Oc2ccc(C#N)cc2)c1,0
COc1cc(C2c3cc4c(cc3C(NCc3ccccc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
CCc1nc(Cl)nc(Cl)n1,0
Cc1cccc(-n2c(O)c3c(c2O)[C@H](c2c4ccccc4c(Cl)c4ccccc24)N(C(C(N)=O)c2ccccc2)O3)c1C,1
C/C=C(\C)C(=O)N[C@@H]1[C@H](O)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@@H](C)N(C)C)CC[C@@H]34)[C@@]2(C)C[C@@H]1O,1
CCCc1oc2ccccc2c(=O)c1C(=O)c1ccc(OC)cc1,0
CC(C)CN1CC(C)C(=O)N(c2ccccc2)C1=S,0
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)c3ccccc32)cc1,1
CC(=O)c1cc(I)c(O)c2ncccc12,1
O=S(=O)(O)c1ccc(-c2ccccc2)cc1,0
CC(=O)Nc1nnc(S(N)(=O)=O)s1,0
CN=C(NC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NC)cc3)cc2)cc1.Cl,0
CC(=O)Nc1ccc(S(=O)(=O)O)c(N)c1,0
CCOC(=O)/C(=C\OC(=O)c1ccccc1)NC(=O)Cc1ccccc1,0
Nc1cc([N+](=O)[O-])ccc1N1C(=O)CCCC1=O,0
Cc1cc(=S)[nH]c(=S)[nH]1,0
CCC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(N3CCNCC3)c(F)cc2[n+]1[O-],1
Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3CCC=C[C@H]32)cc1,1
O=C(C(=Cc1ccccc1)CN1CCOCC1)c1ccc(Br)cc1,1
O=C1c2ccccc2C(=O)c2c1sc1nc3ccccc3n21,1
c1ccc(P(CCP(c2ccccn2)c2ccccn2)c2ccccc2)cc1,1
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1C(NC(C)=O)CC2,1
Cc1cnc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)s1,1
O=S(=O)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl,1
Cc1cnc(C=NNC(N)=S)c2cccc(N)c12,1
CCCCCCCCCCCCCCCCCCNc1ccn([C@H]2O[C@H](CO[P@](=O)(O)OC[C@H]3O[C@H](n4cc(F)c(=O)[nH]c4=O)C[C@H]3O)[C@H](O)[C@@H]2O)c(=O)n1,1
CCOC(=O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)O[C@H]1CNC(=O)NC,1
CN(CCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2)CCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2,1
Cc1ccc(N2CCNC[C@H]2C)cc1,0
O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1,1
CCC[C@H]1O[C@@H](c2ccc(OC)cc2)OC[C@@H]1CC,0
COc1cc(-n2cc(-c3ccc(S(C)(=O)=O)cc3)n(C(C)=O)c2=O)cc(OC)c1OC,0
C=C1c2ccccc2C(=O)c2c1c1c(C(=O)OC)c(O)ccc1n2Cc1ccccc1,1
CN(C)CCCN(CCC1CCCCC1)CCC1CCCCC1.Cl,1
CSc1ccc(Br)cc1,0
Cc1ccc(C=NN=Cc2ccc(C)cc2)cc1,0
O=C(Nc1cccc2c1N(C(=O)c1ccco1)CCC2)c1ccco1,0
Cc1cc(C)c(CC(=O)O)c(C)c1,0
Nc1ccc([As](=O)(O)c2ccc(N)cc2)cc1,0
Cc1cccc(C=NNC(=S)N2CCCC2)n1,1
CN(C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O,1
N=c1c2c(=N)n3c(nc2nc2sc4cc(Cl)ccc4n12)sc1cc(Cl)c(Cl)cc13,0
CC(C)(Br)C(=O)C=Cc1ccccc1,1
CCN(CC)CCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12,1
COC(=O)CC(CC(=O)OC)n1cccc1,0
Br.C(=NN=C1NCCN1)c1cccc2cc3ccncc3nc12,1
COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1,1
C=CCN1CCCC1=O,0
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,1
Cc1ccc(OP(=O)(Nc2ccc([N+](=O)[O-])cn2)Oc2ccc(C)cc2)cc1,0
CC(=O)c1c(OCCN2CCCC[C@H]2C)ccc2c(C)cc(=O)oc12,0
CN(Cc1cc(C(C)(C)C)cc(Br)c1O)Cc1cc(C(C)(C)C)cc(Br)c1O,1
CCOC(=O)C(Cc1ccc(O)cc1)Nc1nc2ccccc2o1,0
C[n+]1c2ccccc2c2/c(=C\C#N)c3ccccc3n21.O=S(=O)([O-])C(F)(F)F,1
O=C1C(=O)N(c2ccccc2)P(=O)(N(CCCl)CCCl)N1c1ccccc1,0
CC(=O)CI,0
CN(C)c1ccc(/N=C/c2cc[n+](C)cc2)cc1.[I-],0
CN1CCS/C1=N\C(=O)c1ccc(Cl)cc1,0
CC(=NNC(=S)N(C)CCN(C)C(=S)NN=C(C)c1ccccn1)c1ccccn1,1
Nc1ccc(SCC(=O)O)cc1,0
C=CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,0
CC(=O)O[C@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@H](c4ccc(=O)oc4)CC[C@]32O)[C@]2(C)C1=C[C@@H](O)[C@H]1O[C@H]12,1
CCN(CC)CCSc1nc2c(=S)n(C)c(=O)n(C)c2[nH]1,0
CCCCOc1ccc(N2C(=O)C(C)CNC2=S)cc1,0
C[C@@H](NNC(=S)N1CCCC1)c1cccnn1,1
Br.CC(CN(C)C)C(=NNc1ccccc1)c1ccccc1,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(C=O)cc3nc2-1,1
Nc1nc(Cl)c2ncn(Cc3ccc(CCl)cc3)c2n1,1
Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1,1
CCC(O)(c1ccccc1)C(C)CN1CCCCC1,0
CS(=O)(=O)N1CC(CI)c2ccc(O)cc21,1
CC1CCC2C(CN(C)C)C(=O)OC2C2(C)C(=O)C=CC12O,1
O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1,0
Cn1c(O)csc1=S,0
Cc1c([N+](=O)[O-])cc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-],0
CC(=O)OC[C@H]1O[C@@](COC(C)=O)(c2ccc(C)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O,0
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C#N)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,1
CCC1CN1P(=O)(OCCOC)N1CC1CC,0
O=[N+]([O-])c1c(F)c(F)c2c(c1F)Nc1ccccc1S2,1
[O-][n+]1c(Cl)cc(Cl)c2ccccc21,0
O=C1C(=Nc2ccc(S(=O)(=O)c3ccc(N=C4C(=O)c5ccccc5C(=O)C4Cl)cc3)cc2)C(Cl)C(=O)c2ccccc21,1
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,1
CC(C)(C)N1CC[C@H]1CN,0
CCOC(=O)C(=Cc1ccc(OC)cc1)N(CC)CC,0
CCOC(=O)C(C(=O)OCC)(c1ccccc1)C1CCCC1,0
O=C1N=c2ccccc2=C1c1[nH]c2ccccc2c1NOCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O,1
COC(=O)c1nc2cc(Cl)ccc2nc1C(F)(F)F,0
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)Nc4nc5ccccc5cc4C[C@@H]32)C1,1
N=c1nc(N)n(-c2ccccc2)c(N)n1,0
CCOC(=O)c1nnc(SC)nc1SC,0
N#Cc1c(NC(=O)c2ccco2)[n+]([O-])c2ccc(F)cc2[n+]1[O-],0
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Br)cc1,0
CN(C)Cc1ccccc1O,0
COc1ccc(NCC=CC(=CCOC(C)=O)OC(C)=O)cc1,1
O=C1NC(CO)C(=O)NC1CO,0
S=c1[nH]nnc2ccccc12,0
CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C,1
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Cl)cc3C(=O)c3ccccc3Cl)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
C/C=C(\C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@H]2[C@H]1OC(C)=O,1
CCN(CC)CCC[C@@H](C)Nc1ccnc2cc3ccccc3cc12,1
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,1
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@]2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CC[C@@H](C)CC1)OO2,1
O=c1cc[nH]c(SCc2ccccc2)n1,0
CO[C@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H]2OC(C)(C)O[C@H]12,0
Br.N=C(N)SCCc1ccccc1,0
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)CC1,1
O=c1[nH]cc(O)n1CN1CCOCC1,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1,1
c1ccc2c(c1)-c1cccc3cncc-2c13,0
CCC1CCC(C)N(COC(=S)S)C1,0
Cc1cc(SC#N)ncn1,0
COC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1,1
CCCC(=O)OC1CC(n2cc(F)c(=O)[nH]c2=O)OC1CO,1
CCCCn1c2c(n(CCCC)c1=S)-c1c(n(CCCC)c(=S)n1CCCC)S[Se][Se]S2,1
CCCCCCCCCCO[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@@H](O)CNCCCN(C)C,1
OCc1ccco1,0
C/C(CCC(=O)O)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
CC(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
Cl.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(-c3ccccc3)ccc1-2,1
Clc1ccc(Cl)c(NNc2cc(Cl)ccc2Cl)c1,1
Cc1nc(-c2ccccc2)cc2c(O)c(C(=O)NCc3ccccc3)[nH]c(=O)c12,0
N=C(N)NN=Cc1cccc(F)c1,0
OCC1(CO)CC2(C1)CC(CO)(CO)C2,0
C=CC(=O)OCCCCCC,0
COC(=N)N(Cc1ccccc1)Cc1ccccc1,0
CCCn1cnc2c(Sc3c([N+](=O)[O-])ncn3C)nc(N)nc21,0
CCOC(=O)Nc1cc(N)ncn1,0
COP(=O)(OC)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1,0
CCCSc1ncnc2[nH]ncc12,0
CC(=O)Nc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1,0
O=c1oc2ccccc2cc1-c1cn2ccccc2n1,1
Cc1ccc(C2NC(=O)c3ccccc3N2)s1,1
Cl.O=C1/C(=C/c2ccccc2)CN(C(=O)CCN2CCOCC2)C/C1=C\c1ccccc1,1
COc1cccc(OC)c1N(CCCl)CCCl,0
COc1ccc(C(=O)O)nc1C,0
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]c(=O)c12,0
CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1CC1,1
C(=Cc1nccc2c1[nH]c1ccccc12)c1ccccc1,1
Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1,0
CCOC(=O)C(=O)NC1CC=CCC1c1ccc2c(c1)OCO2,0
Cc1ccc(Nc2cc(N)[nH]c(=O)n2)cc1C,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.Cl,1
CCOC(=O)CSc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nc(=O)n(-c2ccc(C)cc2)[nH]1,0
CC(C)n1ncc2c(N)ncnc21,0
Cn1c(-n2[nH]c(=O)cc2O)nc(-c2ccccc2)c(C#N)c1=O,0
NC(=S)n1cccn1,0
CCCN(CCC)CC(=O)N1CC(=O)Nc2ccccc21,0
COC(=O)C/C(C)=C/[C@@H](O)[C@H]1O[C@@H]2CC/C(Cl)=C/C/C=C(/C)[C@H](OC(C)=O)CC(=O)O[C@@H]1C2,1
CCOC(=O)c1cc2nc(OCC)nc(OCC)c2[nH]1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](OC(=O)c1ccncc1)CC2,1
O=C1CCC2(CCCC2)c2ccccc21,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
Cc1ccccc1N1CCN(CCO)CC1,0
C[C@@]12CC[C@@H]3[C@H](CCC4C(=O)C(=S)CC[C@]43C)[C@H]1CCC2=S,0
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1,0
O=C(O)CN1C(=O)C=CC1=O,0
CCOC(=O)NN=CC(C)=NNC(=O)OCC,0
CCCOC(=O)C1CCCCC1C(=O)OCCC,0
O=C(O)c1ccc(Br)cc1,0
O=P(O)(O)O.O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@H]1CCCCN1,1
CCOC(=O)c1cnn(C)c1N,0
CC(C)COc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
CCOC(=O)C(C#N)C1CCCCC1,0
CCCCC(CC)C(=O)CC(C)=O,0
Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1,0
CCOC(=O)c1[nH]cnc1N=NN(C)CCO,0
COCCNC(C)=O,0
c1ccc(N=C(N2CCCCC2)N(CCN2CCCCC2)c2ccccc2)cc1,1
CCCCc1c(O)[nH]n(-c2ccccc2)c1=O,0
N#CC1(Nc2ccc(-c3ccc(Cl)cc3)cc2)CCCC1,0
O=C(Nc1ccccc1F)c1ccc(N=C2C(=O)N(Cc3ccccc3)C(=O)C2Cl)cc1,1
CC(=O)N[C@@H](NP(=O)(N(C)C)N(C)C)C(Cl)(Cl)Cl,0
Cn1c(N)cc(=O)[nH]c1=S,0
CC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-],0
Nc1cc(N)c2c(c1)C(=O)c1ccccc1-2,0
Brc1cnc(OCc2ccccc2)nc1OCc1ccccc1,0
O=[N+]([O-])c1cc[n+]([O-])c2ccccc12,1
O=c1c2ccccc2oc2ccccc12.Oc1cccc2cccnc12,1
Cc1ccc(O)c(Cc2cccc(Cl)c2)c1,0
O=C(ONC(=O)C1CCCCC1C(=O)NOC(=O)c1ccccc1)c1ccccc1,0
COc1ccc(C(=O)N2C=Cc3ccccc3C2C(N)=O)cc1,0
Cn1c(-c2ccc[se]2)ccc1-c1ccc(C=O)[se]1,1
COc1ccc(NC(N)=O)cc1,0
CCN(CC)Cc1cc(N=Nc2c(O)ccc3c(N=Nc4ccc(O)c(CN(CC)CC)c4)c(O)ccc23)ccc1O,1
N#CCCNC(=O)Nc1ccccc1,0
O=C(O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1,0
CC(C)OC(=O)C1O[C@@]1(C)c1ccccc1,0
O=C1NC(=O)C(=Cc2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)C(=O)N1,0
Cn1nnnc1[N-]Cc1ccccc1.[Au+2].c1ccc([PH-](c2ccccc2)c2ccccc2)cc1,1
CC(=O)OCC1C(C)C=CC(C)C1COC(C)=O,0
Nc1ncnc(Cl)c1[N+](=O)[O-],0
Cc1ccc2nc(-c3ccc(N)c(S(=O)(=O)O)c3)sc2c1.N,0
C[C@H](O)c1cc2c(s1)C(=O)c1scc([C@H](C)O)c1C2=O,1
COc1cc(/C=C/C(=O)c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccc(Cl)cc4)n3)cc2)cc(OC)c1OC,1
Cc1ccc2c(=O)cc(-c3cccc(Cl)c3)[nH]c2n1,1
CO[C@H]1OCCC[C@H]1Br,0
Oc1csc(=S)n1Nc1ccccc1,0
CCCC=NNc1nc(=O)cc(C)[nH]1,0
ClCCN(CCCl)c1ccc(C=NNc2ccnc3ccccc23)cc1,1
CC[C@H](C)[C@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2C=CCN2)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@@H]1O.Cl,1
CCN(CC)C(=O)c1ccncc1,0
Cn1[nH]c(=O)[nH]c1=O,0
COc1cc2c[n+](C)c3c4cc(OC)c(OCc5ccccc5)cc4c(OCc4ccccc4)cc3c2cc1OC.CS(=O)(=O)[O-],1
COc1ccc2[nH]c3c(C)c4cc[n+](COC(=O)c5ccccc5)cc4c(C)c3c2c1.[I-],1
CCCCCCCCC(=O)N1CCOCC1,0
CCOC(=O)C(C#N)C(=N)CC(=O)O,0
CC(C)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
C=C1C(=O)c2sccc2[C@H](c2ccc(OC)c(OC)c2)[C@H]1COC(C)=O,1
Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1,0
COC(=O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2,0
O=[N+]([O-])c1ccc(Cl)c(Cl)c1,0
Oc1c(Br)cc(-c2ccccc2)cc1Br,0
COc1cc2c(c3ccccc13)CCCC2=O,0
O=c1cc(-c2ccccc2)oc2ccc(OCC(=NO)c3ccc(F)cc3)cc12,1
S=C(NCc1ccccc1)NN=Cc1ccccn1,1
Cl.N=C(N)NN=Cc1c(-c2ccncc2)nc2sc(Cl)cn12,1
CC(Nc1ccccc1)C(=O)N1CC1,0
Cn1ncc2c(N)nc(NCCO)nc21,0
Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
Nc1nc2cc(Br)ccc2o1,0
O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCCCO1,1
Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O,1
C=C1C(=O)O[C@H]2C[C@@]3(C)C=CC(=O)C(=C)[C@@H]3C[C@H]12,1
Cn1c(=O)[nH]c2nc(-c3ccc(Cl)cc3)ccc2c1=O,0
CCC(CC)C(O)(C(=O)O)C(CC)CC,0
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N=C2C(=O)N(Cc3ccc(Cl)cc3Cl)C(=O)C2Cl)cc1,1
O=C(/C=C/c1ccccc1)NCCNC(=O)/C=C/c1ccccc1,0
NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,0
Nc1ncnc2c1ccn2C1OC2COP(=O)(O)OC2C1O,1
COc1cc([C@H]2c3cc4c(cc3O[C@@H](Nc3ccc(C(=O)O)cc3)[C@H]2C)OCO4)cc(OC)c1OC,1
CN1/C(=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[Cl-],1
CS(=O)(=O)O.Cc1cc2c(cc1[N+](=O)[O-])N[C@H](CNC(C)C)CC2,0
C(CCc1nn[nH]n1)CCC1CCCCC1,0
Nc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1,0
O=C1CSc2cc(Cl)ccc2N1,0
Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1,0
CC1CNC(=S)S1,0
CCO[P@@](=O)(O)Cc1c(Cl)c(Cl)c(C[P@@](=O)(O)OCC)c(Cl)c1Cl,0
c1ccc2c(N=NSc3ncnc4[nH]cnc34)c3ccccc3nc2c1,1
Nc1cc2cccnc2cc1Cl,0
O=C(Nc1cccc(NC(=O)C(=O)O)c1)Oc1ccccc1,0
O=C(CC(=O)c1ccccc1N=C1Cc2ccccc2C(=O)C1=O)C(=O)N=C1C(=O)c2ccccc2C(=O)C1Cl,1
Cc1ccc(C)c(CCC(O)CCl)c1,0
COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN(CCCl)CCCl)c2c1.Cl,1
Nc1ccc(S(=O)(=O)Nc2cc(I)cc(I)c2)cc1,0
CN(C)Cc1ncccc1O,0
CCCOC(=O)CCCCCC1CCCCC1,0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C(=O)CO)CC[C@@H]12,0
COc1ccc(OC)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-],1
N=C(NN=Cc1ccc(Br)cc1)NN(O)O,1
CN[C@@H]1[C@H](O)C[C@H](O[C@@H]2C/C=C(\C)C/C(C)=C/C=C/CC[C@@H](C)CNC(=O)C=CC=CC2C)O[C@@H]1C,1
Cc1cc(C)c(O)c(C)c1,0
COc1ccccc1N1CCN(CC(C)C)CC1,0
CN(C)c1ccc(/C=N/n2c(-c3cc(F)c(Cl)cc3Cl)nn(CN3CCOCC3)c2=S)cc1,0
CCOC(=O)C(C#N)=Cc1cccc(OC)c1,0
CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2c1cc(O)c1[nH]c3c(c12)CCCC3,1
O=S(=O)(CCCl)c1ccc(Cl)cc1,1
O=C(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1,0
CCCCOC(=O)Oc1ccc(Cl)cc1,0
CCC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-],1
CSC1CCCCC1O,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)cc(OC)c1OC,1
COc1ccc(/C=C2/S[C@@H](c3c(O)ccc4ccccc34)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)S[C@H]3c3c(O)ccc4ccccc34)C2=O)cc1OC,1
COc1cc(OC)c(NC(=O)NNC(=O)C(=O)NC2CC2)cc1Cl,0
Nc1nc(-c2cccc3ccccc23)cc2ccccc12,1
O=C(COc1ccccc1)OCCOc1ccccc1,0
CC(=O)OCc1ccc(C)cc1C,0
COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Oc1ccccc1,1
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,1
CCOC(=O)C(C(=O)OCC)N1C(=O)c2ccccc2C1=O,0
COc1ccc(CCNC(=O)c2cccc(Cl)c2)cc1OC,0
OCc1c[nH]cn1,0
CCC(=O)NN=CC=NNC(=O)c1ccncc1,0
Cc1nn(Cc2ccccc2)c(C)c1[C@]1(O)C[C@H](CC#N)OC1=O,0
O=c1[nH]nc(-c2ccccc2)c2[nH]c3c(c12)Cc1ccccc1-3,1
CN(C)C(=S)N=c1ssc(=S)n1Cc1ccccn1,1
CCOc1cccc(C=NNC(=O)c2cccc(Nc3ccnc(C(F)(F)F)c3)c2)c1O,1
Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1,1
CC1(C)N=C(N)N=C(N)N1c1cccc(CCc2ccccc2)c1.Cl,1
O=C(O)c1cc2ccccc2cc1Nc1ccccc1,0
CCCCS(=O)(=O)Nc1ccc(Cl)cc1,0
CCOC(=O)C(C#N)c1ccc2ccccc2c1,0
C[C@@]12CC[C@@H](C[C@H]1O)C2C(=O)O,0
C[C@@H]1O[C@H](Cc2cccc3c(O)c4c(O)c5ccccc5c(O)c4c(O)c23)C[C@@H](NC(=O)C(F)(F)F)[C@@H]1O,1
O=c1[nH]cnc2c1ncn2-c1ccc(Cl)cc1,0
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-],1
CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CC(O)CN2C(=O)C(C)O)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)CC1O,1
CCCc1c(OC)c(=O)c2c(O)cc(OC)c3c4c(OC)cc(O)c5c(=O)c(OC)c(CCC)c(c1c23)c54,1
CCOC(=O)CC1(C)c2nc(NC(C)=O)sc2Cc2sc(NC(C)=O)nc21,0
CCOC(=O)/C(C#N)=C1\SCC(=N)N1c1ccccc1,0
O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@H](O)CN3CCCC3)c12,0
COc1ccc2c(c1)[nH]c(=O)c1c3cc(OC)ccc3cn21,1
CC1(C)CC2=NO[Se]3=C2C(=NO3)C1,1
C=C(CN1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
O=C(O)COc1ccc(F)cc1[N+](=O)[O-],0
Nc1ccccc1C1CCCCC1,0
CC(=NNC(=[SeH])N(C)C)c1ccccn1,1
N#Cc1ncc(C(Cl)Cl)nc1Cl,1
CN(CSc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1,1
CC(C)NP(=O)(F)NC(C)C,0
CCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O,1
Cc1ccccc1O,0
Cl.NC(CS)C(=O)O,0
C=c1c2c(O)c3c(O)c(C)c4c(c3c1OC(C)=O)=C(OCO4)/C(C)=C/[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C(C(=O)OC)[C@H](O)[C@H](C)[C@H](O)C(C)=CC=CC(C)C(=O)N2,0
CCCCCCC1(C(OC)OC)NC(=O)N(C)C1=O,0
CC(=O)O[C@H]1[C@@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@H]1C1CCCCC1,1
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cu+2],1
CN(C)c1ccc(C(=O)c2ccc(N(C)C)c(N)c2)cc1N,1
CCOC(CCCNCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3)OCC,1
CCCCCCCCCCCCCC1=NCCN1CCO,1
Nc1nc(SCC(=O)c2ccc(Cl)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,0
C[N+](C)(C)CC(O)=N/N=C/c1ccc2c(c1)OCO2.[Cl-],0
O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccncc1,0
CCC(C)(C(=O)O)C1CCCCC1,0
[Cl-].[Cl-].[Cl-].[Cl-].[NH-]CCCCCC[NH-].[NH2-].[NH2-].[Pt+4].[Pt+4],1
CSC(=S)NN=Cc1nccc2ccccc12,1
CC1(C)C(=NO)C(C)(C)C1=NO,0
CC(=O)OC1CCC2(C)C(=CC3C4CCC(=O)C4(C)CCC32)C1,0
OC1CSC1,0
CCC(=O)N(c1ccccc1)C1CCCCC1,0
CC(C)(Br)C(=O)c1ccco1,0
COc1cc2c(c(OC(C)=O)c1OC(C)=O)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
C=CCN(CC=C)C(=O)OC(C)C,0
C[N+](C)(Cc1ccc(NC(=O)CCCC(=O)On2c(O)ccc2O)cc1)c1ccccc1.[Br-],1
Cn1c(=O)c2[nH]c(CCCc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)nc2n(C)c1=O,0
Oc1cccc(O)c1O,0
Nc1ccc(S(N)(=O)=O)cc1,0
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2,1
CCOP(=O)(OCC)[C@H](NC(c1ccccc1)c1ccccc1)c1ccc(C(C)C)cc1,1
Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(=O)c(C=Cc2ccco2)n[nH]1,1
CO[C@H]1C=CC=C(C)C(=O)Nc2cc3c(c(c2O)C=C(C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@@H]1OC(N)=O)Oc1cc(Br)ccc1N3,1
CCCCNC1=CC(=O)C(NCCCC)=CC1=O,0
CC(C)(O)CN=CC(C(=O)OC(C)(C)C)n1c(O)c2c(c1O)CCCC2,0
CCCN=Cc1cc(Cc2ccc(O)c(C=NCCC)c2)ccc1O,1
Br.Cc1cn2c(/C=N/NC3=NCCN3)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1,1
CN(C)S(=O)(=O)n1cnc([C@@H]2C3C(=O)OC[C@@H]3C[C@@]23N=CN(Cc2ccccc2)C3=O)c1,0
C/N=c1\sc2c(n1C)C(=O)c1ccccc1C2=O,1
CCCCCC[C@@H](O)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCC[C@H](O)CC2=C[C@H](C)OC2=O)O1,1
CC(=O)CCC(=O)OCc1ccccc1,0
COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1,1
COc1nc2c(c(=O)n1C)CN(c1ccccc1)C(C)=N2,0
c1ccc(NCCc2ccccn2)cc1,0
O=[N+]([O-])c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1,1
Cc1nn[nH]n1,0
C[Si](C)(C)C[NH-].C[Si](C)(C)C[NH-].[Cl-].[Cl-].[Pt+4],1
C=Cc1sc(=S)[nH]c1O,0
O=C1C[C@@]2(C[C@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)C(=O)O1,0
NNc1cccc(C=Cc2ccccc2)cc1=O,1
O=S(=O)(O)c1cccc(C(=NNc2ccccn2)c2ccccn2)c1,0
O=C1C[C@@H]2OCC=C3C[N@+]4([O-])CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64,0
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.CS(=O)(=O)O,1
O=C(NN=Cc1ccc(O)cc1O)c1cccc(Nc2ccnc(C(F)(F)F)c2)c1,1
Cc1ccc(S(=O)(=O)OCCO)cc1,0
COc1ccc(C(=O)c2ccc(Br)cc2)c(OC)c1OC,0
CC(=O)Nc1ccc(C=C[N+](=O)[O-])cc1,1
CC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-],0
CC(=O)OCC1=C(C)C[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(C)=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O,1
S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1,1
CC(=O)CC(=O)SC1=NCCS1,0
COc1c(N2CCN(CN3C(=O)/C(=N\c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c4cc(Cl)ccc43)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,1
CCOc1cc(C=NN2CCCCCC2)ccc1O,0
O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1O,0
N#CC(c1ccnc(Cl)n1)c1nc2ccccc2s1,1
COc1ccc(C(Cl)=C(c2ccc(OCCN(C)C)cc2)c2ccc(OCCN(C)C)cc2)cc1.Cl,1
CC(C)(C)c1ccc2c(c1)OCc1n[nH]c(n1)COc1cc(C(C)(C)C)ccc1OCCOCCO2,1
O=C(O)c1ccccc1I,0
OCCn1c(O)c2c(c1O)[C@H]1CC[C@@H]2O1,0
COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1OC,0
COC(=O)c1ccc(C)cc1CC1Cc2ccc(C)cc2C1=O,1
Cc1ccn(C)c(=N)c1,0
O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccccc2)ccc1Cl,1
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sc(N5CCOCC5)nc4[N+](=O)[O-])c3nc12.Cl,1
O=C(O)CSCc1nc2ccccc2[nH]1,0
N#CC(=Cc1ccc(F)cc1)C(=O)O,0
CN(C)C(N)=NC(=N)N.Cl,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CO)C2,1
O=C(CC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1,0
Cc1csc(NC(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2)n1,0
CC(C)Cn1cnc2c(SCCc3ccccc3)nc(N)nc21,0
O=c1c2ccccc2n(C[C@H](O)CN2CCCC2)c2c(Br)cccc12,0
CCOC(=O)CCc1cccc(CCC(=O)OCC)n1,0
Clc1ncnc2[nH]ccc12,0
COc1cc(Cl)c(Cl)cc1Cl,0
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)cc(OC)c1OC,1
CCOP(=O)(NC)OCC,0
Cc1c(O)cccc1Cl,0
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(N)c2c1,1
CCOC(=O)N[C@H](O)C(Cl)(Cl)Cl,0
Cl.Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1,1
CC(=O)Nc1ccc(C=NO)cc1,0
NCCn1c(O)csc1=O,0
O=C1N=C(Nc2cccc(Cl)c2)N=C1Cc1ccc(Cl)c(Cl)c1,1
O=C1c2cccc(NCCN=Cc3cc(O)ccc3O)c2C(=O)c2c(NCCN=Cc3cc(O)ccc3O)cccc21,1
O=C(N=C1C(=O)c2ccccc2C(=O)C1Cl)c1ccc(F)cc1,1
O[C@H](CCC[C@H](O)c1ccccc1)c1ccccc1,0
Cl.Cn1c(N)nc(-c2ccc(Cl)cc2)c1SSc1c(-c2ccc(Cl)cc2)nc(N)n1C,1
Cc1cc(O)c2c(c1)=C[C@@H](O)C1C(=O)c3c(O[C@@H]4C[C@@H](O)[C@@H](O[C@@H]5C[C@@H](O[C@@H]6CC[C@@H](O)[C@@H](C)O6)[C@@H](O)[C@@H](C)O5)[C@@H](C)O4)ccc(O)c3C(=O)C=21,1
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCC1CCCCC1,0
C/C=C/[C@H](O)P(=O)(OC)OC,1
O=c1nc(N2CCNCC2)oc2cc(Cl)oc(=O)c12,1
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(F)c1,1
CCOc1c(Br)cc(Br)cc1C=C(C#N)C#N,1
Cc1cccc(N=NC(=S)NNc2cccc(C)c2)c1,0
CCOC(=O)c1ccccc1Cc1ccc(OC)cc1,0
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)Oc5c(C)cc(O)cc5C[C@@H]4[C@]3(C)CC[C@H]2C1(C)C,1
O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)cc3)nc21,1
COc1ccc2c(c1)C(=O)c1c-2n(CCCNCCO)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
c1ccc2c(c1)ccc1cc3cc(NCCCCNc4ccc5nc6c(ccc7ccccc76)cc5c4)ccc3nc12,1
COC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccc2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,0
Cc1ccc(S(=O)(=O)N/N=C\c2c3ccccc3[n+]([O-])c3ccccc23)cc1,1
COc1cc(NCCCCN=C(N)N=C(N)NC(C)C)c2ncccc2c1.Cl,1
O=c1[nH]c(=O)c2[nH]nnc2[nH]1,0
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2cccc(S(=O)(=O)F)c2)c1.CCS(=O)(=O)O,1
COc1ccc(N2CCN(CC(=O)N3CCN(c4nnc(-c5ccccc5)c(-c5ccccc5)n4)CC3)CC2)cc1,1
CCCCCCCCCCCC[N+]1(CCCCCCCCCCCC)CCC[C@H](C)C1.[Br-],1
Cl.O=c1c(C=Nc2nc(-c3ccccc3)cs2)c(O)oc2ccccc12,1
Cc1nnc(N)nc1C,0
Cc1cc(C2(c3ccc(O)c(C)c3)CCCCC2)ccc1O,0
CN(C)/C=N/c1ccc(S(=O)(=O)c2ccc(/N=C/N(C)C)cc2)cc1,0
Cc1ccc(Nc2[nH]c(N)nc(=O)c2N=O)cc1,0
Cc1ccc(-c2nnc(Cn3ccnc3)o2)cc1,0
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1cccc(OC)c1,1
C[C@]12CCC3(C[C@@H]1CC[C@H]1O[C@H]12)OCCO3,0
CN(N=Nc1[nH]cnc1C(=O)NN)C1CCCCC1,0
Cc1cccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)c1,1
O=[N+]([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccccc1,0
CN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1[N+](=O)[O-])O2.Cl,1
COc1cc2c(cc1OC)C(CNC(=O)C=Cc1ccccc1)C2,0
O=C1C[C@H](Sc2ccccc2)C2(OCCO2)[C@@H](Sc2ccccc2)C1,1
O=c1[nH]c(Nc2ccc(S(=O)(=O)O)cc2)nc2nc(Nc3ccc(NC(=S)Nc4ccccc4)cc3)nc(-c3ccc(O)cc3O)c12,0
COC(=O)C1CCCC1,0
C[C@@H](CNC1CCCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1,0
COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1c(-c2ccccc2)nc2sccn12,0
CCC(=O)Nc1ccccc1Cl,0
O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1O,0
Cc1nc2ccc(Cl)cc2n1C,0
COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2[C@H](C[C@@H](O)[C@H](OC)[C@H]2CO)CN1CC3,0
C=C(C)C1(CCCC)C(=O)NC(=S)NC1=O,0
O=c1ccn(C2CCCO2)c(=O)[nH]1,0
CC1=CC(C)(C)NC(=S)N1c1ccc(Cl)cc1,0
O=C1C(Cl)=C(N2CCN(c3ccccn3)CC2)C(=O)c2ncccc21,1
CC(=O)N(C)c1cc(Cl)ccc1O,0
Cc1cc2nc3c(C#N)c(C)c(CCCl)c(Cl)n3c2cc1C,1
O=C(O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1,1
C=CCOC(=O)c1ccccc1C(=O)OCC1CO1,0
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Br)c1[N+](=O)[O-],1
COc1ccc2nc3cccc(C(O)=NCCN(C)C)c3nc2c1.Cl,1
Nc1ccn([C@H]2CC[C@H](CO[P@](=O)(O)OC[C@@H](O)CO[P@](=O)(O)OC[C@@H]3O[C@@H](n4cc(F)c(=O)[nH]c4=O)C[C@@H]3O)O2)c(=O)n1,1
COC(=O)/C(=C/c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
C=C1C(=O)O[C@H]2[C@@H](O)[C@H](C)CCC[C@@](C)(I)[C@@H]3CC[C@@](C)(O3)[C@@H](I)C[C@@H]12,1
C#CCNC(=S)NN=C(C)c1ccccn1,1
COC(C(=O)C(O)C(C)O)[C@@H]1C[C@H]2Cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](OC)[C@@H](C)O5)[C@H](OC(C)=O)[C@@H](C)O4)c(C)c(O)c3C(=O)C2C(=O)C1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)C(C)C)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1,1
CC(O)C(N)C(=O)O,0
O=C(/C=C1\CC2C=Nc3ccccc3C(=O)N2C1)NCCCCCNC(=O)/C=C1\CC2C=Nc3ccccc3C(=O)N2C1,1
O=C(NN=Cc1c(O)ccc2ccccc12)c1ccncc1,1
N=C(N)N.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[Al+3],0
CCC(N)COC(=O)c1ccccc1.[ClH],0
CC1=NC(C)=C(C(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)C1C(=O)Nc1ccc(Cl)c(Cl)c1,1
CN(C)c1ccc2c(c1[N+](=O)[O-])Cc1ccccc1-2,0
COC[C@@H](O)CN1CCN(Cc2ccc(OC)cc2)CC1,0
CC(=O)Oc1ccc([C@@]23c4ccccc4[C@]2(OC(C)=O)c2cc(OC(C)=O)ccc23)cc1,1
NC(=O)c1ncc(Cl)cc1Cl,0
O=C1c2ccccc2C(=O)N1CN1CCC(CCCC2CCN(CN3C(=O)c4ccccc4C3=O)CC2)CC1,0
CC(C)C(=O)Nc1cc(Cl)ccc1Cl,0
CC1=CC(=O)N(c2cccc3c(N4C(=O)C=C(C)C4=O)cccc23)C1=O,1
CN(C)c1cccc(C=C(C#N)c2ccccc2)c1,1
CCC/C(=N\OC(=O)N(C)C)c1ccccc1,0
CCCCOC(=O)c1ccco1,0
Nc1nc(N)c(N=Nc2ccccc2)c(-c2ccccc2)n1,1
Cc1ccc(C2NC(=S)N3C(c4ccc(C)cc4)NC(=S)N23)cc1,1
O=[N+]([O-])c1cccc(NP(=O)(N2CC2)N2CC2)c1,0
O=C1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2CCC1C2,1
O=C(O)c1cc(N2CCCC2)ccn1,0
COc1cc2c(cc1OC)C(c1cc(OC)c(O)c(OC)c1)C1C(=O)OCC1C2Nc1ccc(F)cc1,1
O=C(O)C(F)(F)F.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNCCNCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
CCCNC(=O)c1ccc(S(N)(=O)=O)cc1,0
CCN(CC)c1ccc2nc3c(cc(N)c4ccccc43)[o+]c2c1.[Cl-],1
O=[N+]([O-])c1ccccc1Nc1cccc(F)c1,0
O=C(Nc1ccccc1)C(CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O,0
COc1ccc2c(c1)CCCC(Br)C2=O,1
CCOC(=O)CCN(c1c(Cl)ssc1=O)C(C)C,0
COc1cccc(C=O)c1OC(C)=O,0
Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)nn1C,1
CCOC(=O)[C-](C(=O)OCC)[n+]1ccccc1,0
O.S=c1[nH]cnc2[nH]cnc12,1
CCOC(=O)C(C(=O)OCC)C1=NC2(c3ccccc3Nc3ccccc32)[C@H](C#N)S1,1
COc1ccccc1/C=N\NC(=O)C(=O)N/N=C/c1ccccc1OC,0
NC(=O)Cc1c[nH]c2ccc(Br)cc12,0
O=C(C(=NNc1ccccc1)c1ccccc1)c1ccccc1,0
Cc1cccc(/N=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1,1
CCCCCC(=O)NC(c1ccco1)C(O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C,1
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1cccc(Cl)c1,0
CC[As](CC)SCC(C)C(=O)N1CCCC1C(=O)O,1
Nc1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1,0
O=[N+]([O-])c1c(NCc2ccco2)ncnc1NCc1ccco1,0
CCOc1ccc([N+](=O)[O-])cc1,0
CN(C)CCSc1cccc(-c2cc(-c3cccc(SCCN(C)C)c3)nc(SCCN(C)C)n2)c1,1
CO[C@H]1[C@H](O)[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@@H](C)[C@@H]1O,1
O=c1c2c3c(sc2n2c(-c4ccc(Br)cc4)nnc2n1Cc1ccccc1)CCCC3,1
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.Nc1ccc(S(=O)(=O)O)cc1,1
CCCCCOC(=O)c1cccc(NC(=O)CNCC(C)C)c1,0
CC1(C)C=C2OC3=C(C(=O)CC(C)(C)C3)C(CC(c3ccccc3)c3ccc(O)c(O)c3O)C2C(=O)C1,1
Oc1c([C@H](Nc2ccccn2)c2ccccc2)ccc2cccnc12,1
CCCCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3C(C(=O)OC)C(C)=NC(=N1)N23,1
COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)NCCCN(C)C)n(C)c3)n(C)c1)N=CC1CCCN1C2=O,1
O=C(CC(=O)Nc1ccccc1Cl)NN[C@@H](Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O,1
C#CCN1CCN(C(=S)NN=C(C)c2ccccn2)CC1,1
CSC(=N)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1.I,1
CC(=O)OC[C@H](C)Cc1ccc(C(C)(C)C)cc1,0
CC(C)(NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)O,0
O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Cl)Sc1ccccc1,1
Clc1cccc(Cl)c1C1CSc2ccccc2N=C1c1ccccc1,1
CCN(CC)CCCC(Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccc(F)cc1,1
O=C1c2cc([N+](=O)[O-])ccc2-c2cc(Cl)c(NC(=O)C(F)(F)F)cc21,0
C[C@H](O)CN(CCO)C[C@H](C)O,0
O=C1NC(=O)C2(CCCC2C(=O)O)N1,0
Cc1cc(Br)ccc1Nc1nc(N)nc(N)c1N=O,0
O=c1cc(-c2ccccc2)[nH]c2ccc(N3CCCC3)cc12,1
O=C(CCCCCCCC(=O)N1CCCCCC1)N1CCCCCC1,0
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,1
CCN(CC)c1ccc2c(c1)Oc1ccc(N(CC)CC)cc1[C@@]21Oc2ccccc2-c2c1c1ccccc1n2CC,1
Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccc(S(N)(=O)=O)cc1,0
CN(C)S(=O)(=O)n1cnc([C@@H](CCO)c2ncn(S(=O)(=O)N(C)C)c2CCCO)c1,0
O=C(O)c1ccc(S(=O)(=O)NN=Cc2c[nH]c3ccccc23)cc1,0
CCOC(=O)c1c(N)ssc1=S,0
CC(=NNc1ncnc2ccccc12)c1ccccn1,1
Cc1cccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)c1,1
Cc1cc(=O)[nH]c(NN2C(Cl)C(=O)C2c2ccccc2O)n1,1
N#Cc1c[nH]nc1N,0
OC(c1cc(C23CC4CCC2CC(C4)C3)nc2c(Cl)cc(Cl)cc12)C1CCCCN1,1
CCCCCCCCCCC[N@@+]1(Cc2ccccc2)C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1.[Br-],1
CC(=O)NC(C(C)=O)C(C)=O,0
Oc1ccc(-c2nccs2)cc1,0
CC=Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CCCC(=O)NNc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)OCC,0
O=C(O)c1cccc(S(=O)(=O)O)c1,0
CC[C@@H]1c2ccccc2C(=O)C1C(N)=O,0
Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)CN(C)C)ccc1Oc1ncc(Br)cn1.Cl,1
O=[N+]([O-])/C=C/c1c(Cl)cccc1Cl,1
NCCSC1(O)C(=O)c2ccccc2-c2ccccc21,1
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)c3ccccc32)cc1,1
Cc1cnc2[nH]c(-c3cccc4ccccc34)cc(=O)c2c1,1
CC(C)(O)c1cccc2c(C(C)(C)O)cccc12,0
CC(=O)Nc1cccc(OCCOc2cccc([N+](=O)[O-])c2)c1,0
Cc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12,1
CN(C)CCC(/C=C/c1ccccc1)=N\Nc1ccccc1.Cl,1
COc1ccc2c(c1)O/C(=C\c1cccc(OCC(=O)Nc3nc(C)c(C)s3)c1)C2=O,1
Oc1ccc(Cc2[nH]c(=S)[nH]c2O)cc1,0
CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
CCOC(=O)C1CCCN(Cc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)C1,0
CCCS(=O)(=O)/C=C\S(=O)(=O)CCC,1
Nc1ccc(Nc2ccccc2)c(N)c1,0
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)C[C@H]3O,1
O=C(c1cccnc1)c1cc(-c2ccccn2)c(=O)n2ccccc12,0
O=S(=O)(O)c1cc(O)c2ccc(Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2c1,0
Br.Cc1n(-c2ccccc2)c2c([n+]1Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1C2=O,1
CC(C)(C)CC(C)(C)C1=CC(=O)C(C(C)(C)CC(C)(C)C)=CC1=O,0
COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2)cc1OC,1
Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N,0
COc1ccc(OC)c(/C=C/c2cnnc3ccccc23)c1,1
COC(C)(C)[C@@H](O)[C@H]1C[C@H](C)[C@@]2(CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O[C@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@@H]4O)[C@]23C)O1,1
O=C1O[C@H]2[C@H](I)[C@@H]3C[C@H]2C1[C@H]3c1ccccc1,0
Cn1ccnc1,0
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-],1
OCCC[C@H](O)c1ccccc1,0
CC(C)C(OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1)C(C)C,1
CCN(CC)CCSC(=O)[C@](O)(c1ccccc1)C1CCCC1.Cl,0
CCN(Cc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl,0
CC(C)n1c(=S)[nH]c2ccccc2c1=O,0
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1,0
c1ccc(SCSc2ccccc2)cc1,0
COc1ccc(N2CCN(CC(=O)N3CCN(c4nnc(-c5ccc(Cl)cc5)c(-c5ccc(Cl)cc5)n4)CC3)CC2)cc1,1
CCCc1nnn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1CCC,0
CSc1cnc2ccccc2c1Sc1c[nH]c2ccccc2c1=O,1
O=C1C=CC2(O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)[C@@H](SC(=O)c2ccccc2)C1,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2CC[Si](C)(C)C,1
Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21,0
C=C(C)C(=O)OC1CC(CO)=CCCC(=C)C(OC(C)=O)C2OC(=O)C(=C)C12,1
CCCCCNC(=O)c1cc2cc(CCl)ccc2oc1=O,1
CN(C)Cc1cc(C(=O)C=Cc2c(Cl)cccc2Cl)cc(CN(C)C)c1O.Cl,1
Cc1c2ccccc2c(CSC(=N)N)c2ccccc12.Cl,1
COc1cccc(-c2cc(=O)c3ccc(C)nc3[nH]2)c1,1
COc1cc(N=Nc2ccc(O)c3ncccc23)c2ncccc2c1,1
CC(C)([C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1,0
C=CC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,0
COc1ccccc1NOC(=O)CCOc1ccccc1,0
Cc1ccc(CC(N)(C(=O)O)c2ccccc2)cc1,0
CCCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,1
Br.Nc1ncc(-c2ccc(Br)cc2)s1,0
CC(C)[C@H]1C[C@](CO)(CNc2nc(N)nc(Cl)c2C=NO)C1,1
CCNCCCNc1c2ccccc2nc2ccccc12,1
O=C(O)CCNC1CCCCC1,0
CCC1CN1CCCCN1CC1CC,0
COc1cccc(C=NN=C(N)C(=N)NN=Cc2cccc(OC)c2O)c1O,0
CCC1CN1,0
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2cc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)n(C)n2)c1.Cl,1
CC(=O)c1csc2c1C(=O)c1scc(C(C)=O)c1C2=O,1
O=c1[nH]c(=S)[nH]cc1Oc1ccccc1,0
Nc1ccc(SCc2nc3cccc4c3n2CCC4)cc1,0
COc1ccc2nc(NN=C(C)c3ccccn3)cc(C)c2c1,1
CN(C)CCCNc1ccc2nnn3c4ccc([N+](=O)[O-])cc4c(=O)c1c23,1
N=C1NC(=O)C(c2ccccc2)(c2ccccc2)S1,0
Cn1c2c(sc1=O)CCC2,0
COC(C=O)OC(C=O)CO,0
CCC(C)NCC(C)O,0
Nc1cc2c(cc1Br)[nH]c(=O)c1ccccc12,1
O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
C[C@@H](NC(=O)c1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1,1
CC1(C)N=c2cc3c(cc2N1c1ccc(Cl)cc1)=Nc1ccccc1N3c1ccc(Cl)cc1,1
O=C1CS[C@@H](c2c(O)ccc3ccccc23)N1n1c(=S)[nH]nc(C=Cc2c(O)ccc3ccccc23)c1=O,1
COC(=O)CCC1=C(CC(=O)OC)c2ccccc2CC1,0
CC(=O)O.O=C(CCN1CCCC[C@H]1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCC[C@H]3CO)cc1C2=O,1
Cc1ccc(C[C@]2(OCCN(C)C)CC[C@H](C(C)(C)C)CC2)cc1.O=C(O)/C=C/C(=O)O,1
O=c1cc[nH]cn1,0
CCC(O)(CC)c1ccccc1,0
Nc1nc2nnc(-c3ccccc3)c(-c3ccccc3)n2n1,0
CNc1ccccc1C(=O)OC,0
Cc1cc(C)c2c(n1)S(=O)(=O)N(CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)C(C(=O)c1ccc(Cl)cc1)C2=O,1
O=C(Nc1ccc(Br)cc1)Nc1cccc(Br)c1,1
COc1ccc(CCC(C)N)cc1,0
COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
CCCC[Sn+2]CCCC.CN(Cc1ccccc1)CC([O-])C[O-],1
COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCCN(C)C)CC2,1
CN1CCCC1=O,0
COc1ccc(N=Nc2c(N)n[nH]c2N)cc1,0
CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0
CC(C)Sc1nc(N)nc2[nH]cnc12,0
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2N=C(Nc3ccccc3)CCC[C@]12C,1
O=C1CC2CCCCC2O1,0
C[C@@]12CCCC=C1CC(=O)CC2,0
COc1cccc2c1O[C@H](c1ccc(C#N)cc1)C([N+](=O)[O-])=C2,1
COC(=O)C1(NC(=O)CNC(=O)OCc2ccccc2)CCCC1,0
CCCc1nc(Cl)nc(Cl)c1Cl,1
O=C(O)C1Oc2ccccc2[C@@H]1c1ccccc1,0
COC(=O)c1cc(-c2ccccc2)[nH]c1N/N=C/c1c(Cl)cccc1Cl,1
O=C(CCc1c[nH]c2ccccc12)NNC(=O)Cn1nnc(-c2ccccc2)n1,0
CN(C)CCCNC(=O)C=CC(=O)O,0
CC[C@@H](Cc1ccccc1)OC(=O)c1ccccc1C(=O)O,0
ON=C1CCC[C@H]2CCCC[C@H]12,0
Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccncn2)cc1,0
CC(C)(CC(=O)c1ccccc1)CC(=O)c1ccccc1,0
COc1cc2cc(C(=O)N3C[C@@H](COS(C)(=O)=O)c4ccc(O)cc43)[nH]c2c(OC)c1OC,1
CC1CC(=O)Oc2cc(O)c(O)cc21,0
CCCC(=O)Oc1c2ccsc2c(OC(=O)CCC)c2ccsc12,1
CC1(C)CSC(C)(C)C(=O)N1,0
COc1ccc(-c2c3c(cc4ncn(Cc5ccccc5)c24)COC3=O)cc1,0
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.Cl,1
O=C(Nc1ccc(Cl)cc1)c1c(=O)[nH]c(O)c2ccccc12,0
Oc1ccc(C=Cc2ccc3cccc(O)c3n2)cc1O,1
CCCCNS(=O)(=O)c1ccccc1,0
O=Nc1c(O)cc(Nc2ccc(Br)cc2)c2ccccc12,1
CC1(C)CC(C#N)C(=O)O1,0
CCN(CC)c1ccc(N=O)cc1,1
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CC=C(O)O,0
Nc1nc(N)c2cc(Sc3ccc(Cl)cc3)ccc2n1,1
CCCCCCCCc1cc(Cl)c(O)c(Cl)c1,0
CCOC(=O)/C=C(/C(=O)OCC)n1ccc(=O)n(CC(=O)OCC)c1=O,1
CCCCCCCCCCCCCCCC/N=C/c1ccc2c(c1)OCO2,0
Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCOCC2)CC1=Cc1ccccc1,1
CCCCN1C(=O)CC2CCOC21C,0
C1C2CC3C1C3C2=NN=C1C2CC3C(C2)C13,0
Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N.[Cl-],1
O=C(NCCCl)c1cccc(Cl)c1,0
CNCc1ccc(CNC)[nH]1,0
O=C1c2ccccc2C(=O)C1c1ccccc1,0
CCOc1ccc(NC(=S)NC(=O)c2ccco2)cc1,0
CC(C)[N+]([O-])(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O,1
CCOC(=O)/C(C#N)=C1\CCC=C(C)C1,0
O=C(CSc1ccc([N+](=O)[O-])cc1)c1ccccc1,0
COc1cc(/C=C2\CCc3cc(OC)c(OC)cc3C2=O)cc(OC)c1,1
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,0
Cc1ccccc1OC(=O)c1ccc(Cl)cc1,0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2Cl)cc1.[Cl-],1
CCOC(=O)C1=CC[C@H](n2ccc(=O)[nH]c2=O)O1,0
CN(C)c1ccc([C@@H]2CC(=O)C(C#N)C(c3ccccc3)=NN2C)cc1,1
O=C1OC2(c3ccccc31)c1ccc(O)c(O)c1Oc1c2ccc(O)c1O,0
C=CCCCCn1c2ccccc2c2c(C)c3c[n+](C)ccc3c(C)c21.CC(=O)[O-],1
O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O,0
O=C1C=CC2(O[C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)O2)[C@@H](SC(=O)c2ccccc2)C1,1
C=C1OC(C(C)CC)C(=O)NCC(=O)N(C)C(CC(C)C)C(=O)NCC(=O)N(C)C(C(C)C)C(=O)N(C)C(Cc2ccc(OC)cc2)C(=O)NC(C)C(=O)C(C)(C)C(=O)NC(C)C(=O)NC(CC)C1O,1
CC(=O)OCC1OC(n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,1
COC(=O)C1=Nc2cc(=Cc3cc(-c4cc(OC)ccc4OC)oc3O)oc2=C1,0
CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)OC2C(=O)C1NC(=O)c1ccccc1,0
N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCN2CCOCC2)n1-c1ccccc1,1
CC1(C)OCC(C2OC3OC(C)(C)OC3C2OS(C)(=O)=O)O1,0
CCCCC(=NN=C(N)N)c1ccc(F)cc1,1
O=c1cc[nH]c(SCc2ccccc2Cl)n1,0
CC(C)=C[C@@H]1C[C@H]([C@@H]2CC=C3[C@]4(C)C(=O)C[C@@H]5[C@](C)(C=CC(=O)[C@]5(C)CO)[C@H]4CC[C@]32C)CO1,1
COc1cc2c(cc1OC)[C@@]13CC[N@@+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34,0
CSC(=S)NN=C(C)c1cccc(C)n1,1
CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@H]2C1,0
O=c1cc(-c2cccs2)[nH]c2cc3c(cc12)OCO3,1
COc1ccc2nccc(NCCCN3CCN(CCCNc4ccnc5ccc(OC)cc45)CC3)c2c1,1
Fc1ccc(CCNc2ncnc3[nH]ncc23)cc1,0
COc1cc(C2c3[nH]c4ccccc4c3C(Nc3ccc([N+](=O)[O-])cc3)C3COC(=O)N23)cc(OC)c1O,1
CC1(C)C[C@@](C)(O)NC(=O)C1C#N,0
CC1(C)C[C@@H]2CC[C@H](O)[C@H]2[C@@H](CCO)N1,0
COc1ccc(C2(O)CCCCC2)cc1,0
CCN(CC)CCOC(=O)/C(=C/c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1,1
COc1ccc(-c2cc(-c3cccs3)n(C(C)=O)c(=O)c2C#N)cc1,0
CCNCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
COc1ccc2c(NCCCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1,1
CNc1nc(SC)n(C)c(=O)c1N=O,0
C(CO[C@H]1C[C@@H]2C[C@H]1[C@H]1[C@@H]2C[C@@H]2O[C@H]12)O[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]2C[C@@H]2O[C@H]12,0
O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1,0
COC(=O)[C@@]12OC[C@@]34[C@@H](CC5=C(C)C(OC(C)=O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)C(OC(=O)C=C(C)C)[C@@H]24,1
CC(=O)N1N=C(c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ccc(Cl)cc4)n3)cc2)C[C@H]1c1ccc(Cl)cc1,0
CCOC(=O)c1[nH]c2c(OCC)nc(OCC)nc2c1Br,0
CCCCNP1(NCCCC)=NP(NCCCC)(NCCCC)=NP(NCCCC)(NCCCC)=NP(NCCCC)(NCCCC)=N1,1
CC[Hg]Sc1ccccc1C(=O)[O-].[Na+],1
CC1=CC(=O)C(=O)C=CCCc2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)[S@+]([O-])SC(=O)[C@]2(C)O,1
Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+],0
COc1ccc(/C(C#N)=C2\OC(=O)c3ccccc32)cc1OC,0
O[C@H](CSc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1,0
O=C(Nc1cccc2c1N(C(=O)c1ccco1)CCC2)c1ccco1,0
COC(=O)C(Br)(C(=O)OC)C(Br)C(Br)C(Br)c1ccccc1,1
O=[N+]([O-])c1ccc(OCCCOc2ccccc2)cc1,0
O=S(=O)(Cl)c1cc(Cl)ccc1Cl,0
C#COC(CC)CCCCC,0
CCCC1(CN2c3ccccc3Sc3ccc(Cl)cc32)CCN(CC)C1,1
CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
COc1ccc(-c2n[nH]c(Sc3c([N+](=O)[O-])ncn3C)n2)cc1,1
CCC12C=CCN3CCC4(C(=Nc5ccccc54)C(C(=O)OC)C1O)C32,1
c1ccc(Cc2ccccc2)cc1,0
O=C(Nc1c(Cl)cccc1Cl)Oc1cccc2cccnc12,1
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23,1
CC12CCC3C(CCC4Cc5[nH]c6ccccc6c5CC43C)C1CCC2O,1
O=C1Nc2ccccc2C1=NN1CCCCCC1,0
c1ccc(CCN2CCCCC2)nc1,0
COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(CNC(=O)/C=C/c2csc(-c3ccccc3)n2)cc1,1
Cn1c(=O)sc2ccccc21,0
CCC(=O)c1ccc2ccccc2c1,0
Cl.O[C@H](COc1ccccc1Cl)CN1CCCCC1,0
Cn1cc[nH]c1=S,0
C=c1nc2c(O)c3ccccc3c(O)c2nc1=C,1
COc1ccc2c(c1)[n+]([O-])c1cc(C#N)ccc1[n+]2[O-],1
CCCCOc1ccc(N=Nc2ccc(N)nc2N)cn1,0
Oc1cccnc1CN1CCOCC1,0
COc1cc(C2c3cc4c(cc3C(Nc3ccc(F)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
COC[C@H](C#N)N[C@H]1C[C@@H](O[C@@H]2C[C@](O)(C(=O)CO)C=C3C(=O)c4c(c(O)c5c(OC)cccc5c4O)C(=O)C32)O[C@@H](C)[C@H]1O,1
CN1CCN(C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)CC1.Cl,1
CC(=O)O[C@@H]1c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)O,1
CCN(CC)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1.Cl,1
Cc1cc(-c2nc3sc(C)cn3c2C=NN=C(N)N)c(C)s1.Cl,1
O=[N+]([O-])c1cccc(NCn2c(=S)sc3ccccc32)c1,0
CC(=O)CC(C)(C)c1ccccc1,0
O=C(OCCCCCCl)c1cccc([N+](=O)[O-])c1,0
CC[C@]1([N+](=O)[O-])CO[C@H](c2ccc(C)cc2)OC1,0
CCCC[Sn+2]CCCC.Nc1nccnc1C(=O)[O-].Nc1nccnc1C(=O)[O-],1
O=C1OC2C(I)C3C(C4CCCCC4)C1C23,0
O=C1CC(c2ccccc2)C(c2ccccc2)C1=O,0
O=C(Nc1ccc(O)cc1)Nc1ccc(O)cc1,0
COc1cc(-c2[nH]ccc2Cl)oc1C1=C2CCCCCCCCc3cc(c1[nH]3)[C@@H]2C(C)C.Cl,1
CCOC(=O)c1cc(=O)[nH][nH]1,0
S=c1[nH]cnc2c1ncn2-c1ccc(Cl)cc1,0
CCOc1ccc(C2OCCC(C)O2)cc1OC,0
CN(C)C[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1O,0
CCCCN(CCC#N)C(N)=O,0
O=[N+]([O-])c1ccc(N/N=C/CC(O)(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1,1
O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=C[C@@H]1c1ccccc1[N+](=O)[O-],1
Cc1ccc(N=C=Nc2ccc(C)cc2)cc1,0
COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1OC,1
O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl,0
CC(C)CCN=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,1
COc1cc([C@H]2c3cc4c(cc3O[C@@H](NCCc3ccccc3)[C@H]2C)OCO4)cc(OC)c1OC,1
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(N3CCOCC3)n2)cc1,1
OCCC1CCCCN1,0
Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)cn1NC(=O)c1ccc2c(c1)OCO2,0
CCSc1nnc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)s1,0
C=CCOC(=O)c1ccc(Cl)cc1,0
O=C1N(CO)[C@H]2[C@H](N(CO)C(=O)N2CO)N1CO,0
CC(=O)Nc1cc2c(cc1Cl)-c1ccccc1C2,0
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12,1
CC(=NNC(=O)c1ccncc1)c1ccccc1O,1
O=C1NC(=O)[C@](Cc2ccc(Cl)cc2)(c2ccccc2)N1,0
O=C(O)C1=C(C(=O)O)[C@@H]2CCC(=O)C1N2Cc1ccccc1,1
O=C1C([N-]S(=O)(=O)c2ccccc2)=C([n+]2ccc(Cc3ccccc3)cc2)C(=O)c2ccccc21,1
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1N1CCOCC1,0
C=C1CC[C@@H]2[C@@]3(C)CO[C@H](c4ccc(N(C)C)cc4)O[C@@H]3CC[C@@]2(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O,1
COc1cccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)c1O,1
Cc1ccnc2[nH]c(-c3ccc(Cl)cc3)cc(=O)c12,1
O=S(=O)(NO)c1ccc(Cl)cc1,0
CC1=NNC(=O)CC1,0
Oc1c(CNCCNCc2cc(Cl)cc(Cc3ccccc3)c2O)cc(Cl)cc1Cc1ccccc1,1
C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@H]1C[C@H]3C[C@]12CC[C@@]3(O)CO,1
O=C(c1ccc2ccccc2c1O)N1CCCCC1,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NCCN4CCO,1
O=S(=O)(c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1)N1CCCCC1,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2Cl,1
O=C1NC(=O)[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1,0
CC(O)Cc1cccs1,0
CC(C(=O)c1ccccc1)[C@@H](O)c1ccccn1,0
C[C@@H]1CC(C)(C)NC(=S)O1,0
Cc1cc(NCCCCCCCCNc2cc(C)nc3cc(N(C)C)ccc23)c2ccc(N(C)C)cc2n1,1
C[C@]12CC[C@@H]3c4cc(OCC(F)(F)F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,1
O=C(O)C1CC(=O)N(Cc2ccccc2)C1,0
C[C@@H](CC[C@@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O,1
NCc1ccc([N+](=O)[O-])cc1,0
FC(F)(F)c1ccccc1C#Cc1ccccc1C#Cc1ccc(OCCCCCCOc2ccc(C#Cc3ccccc3C#Cc3ccccc3C(F)(F)F)cc2)cc1,0
CC(C)OCCCNc1nc(=O)c2cnn(C)c2[nH]1,0
CC(C)CC(=NNC(=O)c1ccncc1)c1cc(Cl)ccc1O,1
CCOc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1,1
CC1(C)[C@H]2CC[C@]1(C)C(=NO)C2=NO,0
Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,0
S=c1[nH]sc(=S)[nH]1,0
O=C(O)c1ccc2c3c(ccc(C(=O)O)c13)CC2,0
CCCCOc1ccc(N2C(=O)C(C)CNC2=S)cc1,0
CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC,1
C=C(CN(C)Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CC(=O)c1c(C)[n-]n2ccc[n+]12,0
O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCCCC1,0
O=C(CC(=O)c1ccccc1)CC(O)(c1ccccc1)c1ccccc1,1
CC(C)(C)c1ccc(OC(=O)c2ccccc2)cc1,0
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,1
CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)C(Cl)C(=O)N3c2nc3ccccc3s2)cc1,1
N=C(N)SCc1cccc2c(=O)cc(-c3ccccc3)oc12,1
Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1,0
COC(=O)c1cncn1Cc1ccccc1,0
O=C(O)c1cc([N+](=O)[O-])ccc1Cl,0
CCOC(=O)C(I)=Cc1cc(OC)c(OC)c(OC)c1,1
CCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1OC(=O)CCC,1
Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C,0
N#Cc1ccccc1C#Cc1ccccc1C#Cc1ccc(OCCCCCCOc2ccc(C#Cc3ccccc3C#Cc3ccccc3C#N)cc2)cc1,0
COC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)C1=S,1
c1cnc2c(c1)ccc1cccnc12,1
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1,0
CCOC(=O)C(=NO)C(=O)c1ccccc1,0
COc1cc([C@H]2c3cc4c(cc3[C@@H](NC3CCN(Cc5ccccc5)CC3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
Cc1cc([N+](=O)[O-])c(C)cc1C(=O)O,0
CCCCCCN(CCCCCC)CC(O)c1ccc2c3c(cccc13)CC2,1
Clc1ccc(CSc2ncnc(SCc3ccc(Cl)cc3Cl)c2Cl)c(Cl)c1,0
c1ccc2c(c1)Nc1cccc3c1c-2nc1cc2ccccc2cc13,1
CCCCCCCCCCCCCCCCCC1=NC(C)(C)CO1,0
N[C@H]1CC[C@@](c2cc3ccccc3s2)(N2CCCCC2)CC1,1
COc1ccc(CCCCNCc2cccc(CNCCCCc3ccc(OC)cc3)c2)cc1,1
CCCCC(CC)C(=O)NCC(C)O,0
O=C(NNC(=O)c1ccccc1O)c1ccccc1O,1
C(=C(\c1ccc(O[C@@H]2CCCCO2)cc1)c1ccc(O[C@H]2CCCCO2)cc1)\c1ccccc1,1
Br.CC(C)(CN1CCOCC1)C(=O)C=Cc1ccc(C=CC(=O)C(C)(C)CN2CCOCC2)cc1,1
CC(C)(C)OC(=O)N1Cc2cc3ccccc3nc2C1,0
Cc1ccc(C(O)=NCCN(C)C)c2nc3ccccc3cc12.Cl,1
OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C[C@H]1O,0
Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,0
O=C1c2ccccc2C(=Cc2ccccc2)c2ccccc21,1
c1ccc(CSc2ncnc3[nH]cnc23)nc1,0
OC1(c2ccccc2)c2ccccc2CCC1Br,0
CCCCC(CC)COC(C)=O,0
CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C.[Cl-],1
Cn1c(=O)c(C#N)c(-c2ccco2)n2c(SCc3ccccc3)nnc12,0
O=C(NNc1ccc(F)cc1)C1CCC(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,1
CCCCCOCC#N,0
O=C(Nc1cccc(F)c1)c1cc2ccc(O)cc2oc1=Nc1ccccc1F,1
O[C@]1(c2ccccc2)O[C@](C#Cc2ccccc2)(c2ccccc2)c2ccccc21,1
CCCn1c(=S)sc2c(N3CCN(C)CC3)nc(C)nc21,0
CCC(CC)c1ncc[nH]1,0
O=C(ON1C(=O)N[C@H]2CCCCC2C1=O)c1ccccc1,0
COC(=O)c1sc2c(c1C(=O)OC)/C(=N/c1ccc(OC)cc1)S/C2=N\c1ccc(OC)cc1,1
CC1=NCCO1,0
O=C1C=CC(=O)N1Cc1ccccn1,0
CCNCCCl,0
C[C@@]1(O)C[C@]2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)[C@@]2(O)C(=O)C1O,1
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1,0
CN(C)CC1CCC(CN(C)C)C(=O)C1=O.Cl,1
S=C(Nc1ccccc1)Nc1ccccc1,0
Nc1cccc2cc(S(=O)(=O)O)ccc12,0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C(OC(C)=O)C(=O)CC[C@]4(C)C3C(=O)C[C@@]21C,0
C[S@@](=N)(=O)CCC(N)C(=O)O,0
CC(=O)Nc1nc(N)nc(NC(C)=O)c1N=O,0
O=C(O)c1ccccc1C(=O)OCC1CCC(=NO)CC1,0
O=C(CCCCCC1CCCCC1)OC1CCCC1,0
Br[C@@]1(c2ccccc2)C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc21.[Br-],1
O=[N+]([O-])c1ccc2[s+]cc3c4ccccc4[nH]c3c2c1.[O-][Cl+3]([O-])([O-])[O-],1
CC1(CCO)C(=O)NC(=S)NC1=O,0
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2)sc2c1CCC2,0
S=C(NN=Cc1ccccn1)N1C[C@H]2CC[C@H](CC2)C1,1
COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)ccc1OCCCn1ccnc1,1
Nc1ccc(C(=O)c2ccccc2)cc1,0
O=C(O)C(F)(F)F.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNCCNCCNCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,1
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1,1
O=[N+]([O-])c1ccc(OCCCCOc2ccccc2)cc1,0
CCCOc1ccc(C)cc1,0
O=[N+]([O-])C1C(O)C(O)C([N+](=O)[O-])C(O)C1O,0
NC(=O)NC(=O)c1cccc(NC(=O)CCl)c1,1
Cc1cccc2cc3cccc(C(O)=NCCN(C)C)c3nc12.Cl,1
COc1cc(C(=O)c2cocc2C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,1
CN(C)CCCN1c2ccccc2Sc2ccc3ccccc3c21,1
O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1O,1
CCOC(=O)Nc1csnn1,0
O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc12,1
O=C(Nc1ccc(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1,1
c1ccc(-c2cccc(-c3ccccn3)n2)nc1,1
CN(C)c1ccc(/C=C2\CCCc3ccccc3C2=O)cc1,1
CCCCCCCNC(=O)C(Cl)Cl,0
NC(=O)SCC(=O)Nc1ccc2ccccc2c1,0
O=C(NCCO)C(=O)NCCO,0
O=C(Cc1ccccn1)c1ccccc1,0
CCC[Sn+2]CCC.CCC[Sn+2]CCC.CSc1ncccc1C(=O)[O-].CSc1ncccc1C(=O)[O-].[O-2],1
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@@H]3C(Cl)C(=O)CC[C@]3(C)[C@H]21,0
O=C1N=C(Cc2ccncc2)C(=O)N1,0
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)OC1CC(n2cc(F)c(=O)[nH]c2=O)OC1CO,1
CCC1=C(CC2NCCc3cc(OC)c(OC)cc32)CC2c3cc(OC)c(OC)cc3CCN2C1,1
Cc1nnc(Sc2nc(C#N)c(C#N)nc2Sc2nnc(C)s2)s1,1
COc1ccc([C@@H]2CC(c3ccc(Nc4nc(Nc5ccc(F)cc5)nc(Nc5ccc(Cl)cc5)n4)cc3)=NN2C(C)=O)cc1,0
CC(C)(C)C1=CC(=C2C=Cc3cc(O)ccc3O2)C=C(C(C)(C)C)C1=O,1
CCN(CC)CCOc1ccc(Cl)c(C)c1,0
CC=CC(=O)Nc1c(Cl)c(O)c2ccccc2c1O,1
CCC(OC(C)=O)c1ccccc1,0
O[C@H]1[C@H](O)[C@@H](Cn2nnc(-c3ccccc3)c2-c2ccccc2)OCO[C@@H]1Cn1nnc(-c2ccccc2)c1-c1ccccc1,1
COc1ccccc1NC(=S)Nc1ccccc1OC,0
Cc1ccccc1NC(=O)c1cc2ccccc2cc1O,1
Cn1c(=O)[nH]c2c(c1=O)CCO2,0
CC(C)(O)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1,0
CC1=NN(c2nc(N)nc(C=Cc3ccccc3)n2)C(C)(C)C1,1
CC(=O)OC(Cc1cc(C=C(C(F)(F)F)C(F)(F)F)cc(C)n1)(C(F)(F)F)C(F)(F)F,1
C=C1C(=O)O[C@@H]2C=C(CO)[C@@H]3O[C@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@@H]12,1
CC(O)CNC(=O)C(C)(C)O,0
C[C@@H]1CC(=O)Nc2ccccc2N1,0
Nc1cc2c(cc1Br)-c1ccc(F)cc1C2=O,0
O=C(O)C1CC2C=CC1C2,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(CC(=O)Oc1ccc(F)cc1)C2,1
C[C@H]1CCc2c(sc(NC(=O)CSc3nnc4ccccn34)c2C(N)=O)C1,0
Nc1ncnc(NC2CCCCC2)n1,0
COc1cccc(/C=C2\COc3ccc(-c4ccccc4)cc3C2=O)c1,1
COc1ccc(C(Cl)=C(C=O)c2ccc([N+](=O)[O-])cc2)cc1OC,1
COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=C([N+](=O)[O-])C(C)(C)O2,1
C=C(C)[C@@H](c1ccccc1)c1[nH]c(C)c(C(=O)OC)c1C(=O)OC,0
O=c1cc(S(=O)(=O)Cc2ccccc2)[nH]c(=O)[nH]1,0
CSc1[nH]c(=O)nnc1Sc1ccccc1,0
CCOC(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1,0
O=C(O)c1ccc(Br)cc1C(=O)O,0
O=S(=O)(O)[C@@H](Nc1ccccc1)c1ccccc1.[Na+],0
CCCCCCN(CCCCCC)C(=N)c1ccnc2ccccc12,1
CCCCOC(=O)N1CCCC1,0
Nc1c(-c2nc3ccccc3s2)cc(O)n1-c1ccc(SC(F)F)cc1,1
CCOc1ccc2nc(S/C(=C/C=C(C#N)C#N)c3ccc(Cl)cc3)sc2c1,1
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,1
CC1(C)C(=O)NC(=O)N1CO,0
C=C(C)COC(=O)CC(C)=O,0
O=C1CC(=O)c2c(c(O)c3c(O)ccc(O)c3c2O)C1=O,0
O=C1C(c2ccccc2)[C@@H]2C=C[C@@H](C2)N1O,0
CC[n+]1c(/C=C/c2ccc(N(CCCl)CCCl)cc2)ccc2cc(NC(=O)/C=C/c3ccccc3)ccc21.[I-],1
O=C(O)c1ccccc1C(=O)OCc1ccccc1,0
COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccc(Cl)cc3S2)cc1,1
CCN(CC)CCn1c(=O)n(C)c2ccccc21.[O-][Cl+3]([O-])([O-])O,0
O=c1[nH]c2c(c(=O)[nH]1)CCCCCC2,0
NS(=O)(=O)c1ccc(-n2ncc3c(=S)[nH]cnc32)cc1,0
CC1CCC(=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1,0
O[C@H]([C@H](O)c1ccccc1)[C@H](c1ccccc1)N1CCCCC1,0
N=C(N)NN=Cc1c[nH]c2ccccc12,0
CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(SC)c(=O)cc21,1
CC(C)C[C@H](NC(=O)C(Cc1ccccc1)NC(=O)CCc1ccccc1)B(O)O,1
CSc1nc(N)n2nc(C)cc2n1,0
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(o3)=CCCC=4)cc2)c1C,0
C=C1C[C@](Cn2ccc(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,1
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O,0
Cn1nc(CC#N)c2c(=N)n(N)cnc21,0
CNc1nc(=O)n(C2CCCO2)cc1C,0
COc1cc2c(cc1OCCCN1CCOCC1)N=CC1CCCN1C2=O,1
O=c1c2ccccc2[nH]c(=S)n1-c1cccc(Cl)c1,0
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Br)o1,0
CCCCCCOc1ccc(C=NNC(N)=S)cc1,1
CSc1nc(=S)c2[nH]c(=S)[nH]c2[nH]1,0
COC(=O)c1oc2c(C(=O)/C=C/c3ccc(OC)cc3)c(OCCN(C)C)ccc2c1C.Cl,1
CCOC(=O)CCC(=O)Oc1ccc2c(c1OC(=O)CCC(=O)OCC)C(=O)c1ccccc1C2=O,0
O=C(OC1C2C=CC1C1C(=O)NC21)c1ccccc1,0
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.CS(=O)(=O)O,1
C=C=C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,1
COc1cccc(CCNc2c(C#N)c3nc4ccccc4n3c3ccccc23)c1,1
Oc1ccc2ccccc2c1C=NNc1ccccn1,1
Cc1ccc(S(=O)(=O)OC2C(C(=C3CC(=O)C4=C(C3=O)C(=O)c3ccccc3C4=O)c3cc(O)c4c(O)c5ccccc5c(O)c4c3O)OC(O)C2O)cc1,1
CCCCCCCCC/C=C1/C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O,1
COC(=O)c1ccc(I)c(C)c1,0
O=C(c1ccc2ccccc2c1)N1CC1,0
CCCCCCCCC(C)C(=O)N1CCCC1C(=O)N1C(CC(=O)CC)CC(C)CC1C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO)C(C)CC,1
Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-],0
O=C(Cl)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],1
CCC1(c2ccc(Cl)cc2)SCCS1,0
CCC(c1ccc(OC)cc1)C(CC)c1ccc(O)c(CN2CCCC2)c1,1
c1ccc(-c2cnc(C3CCCCC3)o2)cc1,0
OCc1cc(Cl)cc(CO)c1O,0
COc1cc2c(cc1OCCCN1CCN(c3ncnc4ccccc34)CC1)N=CC1CCCN1C2=O,1
C[C@@]12CC[C@@H]3[C@H](C(C=O)=C4C=CCC[C@@]43C)[C@H]1CC[C@@H]2O,0
Cn1c(=O)c(-c2ccccc2)cc2ccccc21,0
CCCCCCCCCCCCc1ccc(C(=O)C=CC(=O)O)cc1,1
O=C1NC(=O)[C@@]2(CCC[C@H]2c2ccccc2)N1,0
NC(=O)c1c(N)sc2c1CCCC2,0
COc1ccc(-c2csc(Nc3cccc(-c4csc(C)n4)c3)n2)cc1,1
CCC(C)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl,1
CCN(CC)CCC[C@H](C)N=c1c(-c2ccccc2)c[nH]c2cc(Cl)ccc12.I,1
Nc1nc(N)nc(N=CCC(=O)O)n1,0
CCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,1
C1C[C@@H]2C[C@H]1C[C@H]2CNC[C@@H]1C[C@@H]2CC[C@H]1C2.Cl,0
O=C(NN1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O)c1ccncc1,0
C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-],0
COc1cccc(/C=C/C(=O)/C=C/C=C/c2ccccc2)c1,0
N=C(NCCCCl)NN(O)O,0
OC1CCC(C2C3CCCCC3C3CCCCC3C2C2CCC(O)CC2)CC1,1
CCCCC(C=O)(C=C=C(C)C)CC,0
Cn1ncc2c(=O)[nH]nnc21,0
O=C(O)c1cc(Cl)ccc1O,0
CCCCCCCCCCCCO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1CNC(=O)C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1NC(=O)CN1CCN(c2ccccn2)CC1,1
O=C(NCCO)C(F)(F)F,0
CC(C)(C)c1ccc2c(c1)OP1(Oc3c(Cl)cc(Cl)c4cccnc34)(O2)Oc2ccc(C(C)(C)C)cc2O1,1
CN(CCCNC(=O)c1cn(C)c2c1ccc1cc(Cl)ccc12)CCCNC(=O)c1cn(C)c2c1ccc1cc(Cl)ccc12,1
C[C@@H](N)c1ccccc1.O=C(O)C1C=Cc2ccccc2N1C(=O)c1ccccc1,0
Nc1[nH]c(=S)nc2[nH]cnc12.O=S(=O)(O)O,0
O=c1c(Cl)c(Cl)cnn1-c1ccccc1,1
COC(=O)Nc1nc2cc(S(=O)(=O)NC(CC(C)C)C(=O)OC)ccc2[nH]1,1
CCC(=O)N(C)C1(C#N)CCCCC1,0
CCOC(=O)C1(c2ccccc2)CCN(CC(=O)c2ccc(NC(C)=O)cc2)CC1,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(C)=O)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
CNC(=O)NNC(=O)NC,0
CC(=O)Nc1ccc(O)c(C)c1,0
Clc1nc(Cl)c2ncn(Cc3cccc(Cn4cnc5c(Cl)nc(Cl)nc54)c3)c2n1,1
CN(C)CCCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12,1
COc1c(O)c(C=NC(C)(C)C)c2c(O)c1C=C(C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)N2,1
CC(C)(C)c1ccc(O)c(CNc2ccccc2)c1,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(C(Cl)C(Cl)c2ccccc2)cc1C(Cl)C(Cl)c1ccccc1,1
C[C@@H](N)[C@@H](O)c1ccccc1.[Cl-].[H+],0
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](CC[C@@]3(O)C2)[C@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@@H]4O)[C@H](O)[C@@H](O)[C@H]1O,1
C=c1c(NOC)cc(C)c(O)c1=C,0
CC(=O)OCC1=CC[C@H]2CC[C@](C)(O)[C@@H](C[C@H](O)C(C)=CCC1)C2(C)C,0
Cl.O=C(NCCCCCCCN1CCCCCCC1)C(C1CCCCC1)C1CCCCC1,1
Cc1ccc(S(=O)(=O)O)cc1N,0
C=CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)N(CC)CC,1
COc1cccc2c1OC(c1ccc(Cl)cc1)C([N+](=O)[O-])=C2,1
O=S(=O)(c1ccccc1)C(Br)S(=O)(=O)c1ccccc1,0
Cc1cc(S(=O)(=O)O)ccc1Cl.[Na+],0
CC(C)c1cccc(C(C)C)c1O,0
Oc1cccc2c(Br)ccnc12,1
Nc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1,0
COc1cc(C(C)O)cc(OC)c1OC,0
N#C[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1,0
O=C(Nc1cccc(Cl)c1)Oc1ccc2ccccc2c1,0
CC(C)C[C@H](NC(=O)C(Cc1cccc2ccccc12)NC(=O)N1CCOCC1)B(O)O,1
Cl.N=C(N)N/N=C/c1c(-c2ccccn2)nc2sc(Cl)cn12,1
COc1ccccc1NC(=O)C1=C(C)N=C(C)C(C(=O)Nc2ccccc2OC)C1c1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)N=C(C)C2C(=O)Nc2ccccc2OC)cc1,1
CSc1nc(Cl)cc(=O)n1C,0
Cc1cc(C2(c3cc(C)c(O)c4ncccc34)OC(=O)c3ccccc32)c2cccnc2c1O,1
O=C(CCCCCCCC(=O)N1CCCC1)N1CCCC1,0
N=C(N/N=C/c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2,0
CCCCCCCCCCOCCOCCOCCOCCCC[C@H](O)CCCCCCCC1=C[C@H](C)OC1=O,1
COc1ccc(COC(=O)Sc2nc(C)cc(C)n2)cc1,0
CN(C)c1cn2c(CN3CCOCC3)nc3ccccc3c2n1,0
[O-][n+]1ccccc1O,0
CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,1
NNc1c(C(N)=O)c2c(N)ncnc2n1C1OC(CO)C(O)C1O,1
C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.C1=Nc2c3c(ccc2=C(c2ccccc2)C1)=C(c1ccccc1)CC=N3.O=C(O)C(O)C(O)C(=O)O.[Co+6],1
Cc1csc(-n2c(O)c3c(c2O)[C@H]2CC[C@@H]3O2)n1,0
Oc1c(Cl)cc(Cl)c(Cc2c(Cl)cc(Cl)c(O)c2Cl)c1Cl,0
COC(=N)CCOC(=O)c1ccccc1,0
CCCOC1=C(Cl)C(=O)c2cccc([N+](=O)[O-])c2C1=O,0
OCc1ncc(-c2ccccc2)s1,0
CC(=O)c1cc2c(cc1C)CCCC2(C)C,0
CC1CC=C(C(=O)O)CC1,0
CC(C)CCC(CCC(C)C)NCC(C)O,0
C[C@H](NCCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)c1ccccc1,1
O=C(O)COc1cc(F)c(Cl)cc1Cl,0
CC1(C)C2(C(N)=O)C(=O)NC(=O)C12C(=O)O,0
Cc1ccc(N=CCC(=Nc2ccc(C)cc2)c2ccc3ccccc3c2)cc1.Cl,1
CC(=O)Nc1ccc(SC(Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1,0
CCOC(=O)c1[nH]c(=O)c2c(OCC)nc(-c3ccccc3)cc2c1O,0
CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.COc1ccc(C(=O)[O-])c(OC)c1OC.COc1ccc(C(=O)[O-])c(OC)c1OC.[O-2],1
O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1,0
CCCCNP(=O)(Oc1ccccc1)Oc1ccccc1,0
CC(N)(CCC(=O)O)C(=O)O,0
c1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)cc1,1
CN(CCCNC(=O)c1c2ccc3ccccc3c2nn1C)CCCNC(=O)c1c2ccc3ccccc3c2nn1C,1
O=Nc1c(O)cc(Nc2ccc(Br)cc2)c2ccccc12,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@H]1C[C@H](N(C)C)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
O=C1NCC(Nc2ccc(Cl)cc2)C(=O)N1,0
CC(C)c1ccc(O)c(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)ccc3O)c2O)c1,1
CN(C)P(CCP(C)C)N(C)C,0
Nc1ccc(S(=O)(=O)O)c(N)c1,0
O=C1/C(=C\c2ccccc2)CC/C1=C/c1ccccc1,0
O=[N+]([O-])c1cc2ccccc2nc1-c1ccccc1,0
CCCCN(CCCC)C(=O)CCl,0
C=C1CCC[C@@H](C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H](OC(C)=O)[C@@]2(C)CC[C@@H]1O2,1
O=[N+]([O-])c1ccc(C=NO)cc1,0
O=Cc1cc2c(o1)C(=O)c1ccccc1C2=O,1
CCCCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCCCC)c4c3O)c(O)c12,0
N#Cc1cccc(C=C(C(=O)c2ccccc2)c2ccccc2)c1,1
S=C=NCc1ccccc1,1
COc1cc(C2c3cc4c(cc3C(Nc3ccc(C#N)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C(CSSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,1
CC(C)(C)c1cn2cccc(C(=O)N3CCN(CC(=O)Nc4ccc(Cl)cc4C(=O)c4ccccc4Cl)CC3)c2n1,1
Cc1ccc(C)n1NC(=O)CN(C(C)C)C(C)C,0
COc1ccc(OC)cc1,0
O=C1NC(=O)c2c(Br)c(Br)c(Br)c(Br)c21,0
CC(=O)Oc1cccc(C)c1,0
O=C(O)CCC(NC(=O)OCc1ccccc1)C(=O)O,0
O=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1)N=Nc1c(O)[nH]c2ccc(F)cc12,1
Cc1cc(C)n2nc(N)nc2n1,0
CCC(=C/[C@H](C)CC=CC(C)=CC(C)C(=O)C(C)[C@H](O)[C@@H](C)CC)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C,1
Nc1ncnc2c1N[C@H](c1ccc3c(c1)OCO3)C[C@@H](c1ccc([N+](=O)[O-])cc1)N2,0
O=C1c2nc3n(c2C(=O)c2c1nc1n2CCC1)CCC3,1
C[C@@H](CCCN1CCCC1)Nc1ccnc2cc(Cl)ccc12,0
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC,1
Cc1cccc([C@@H](C(C(=O)c2ccccc2)N2CCOCC2)N2CCOCC2)c1,0
O=C(CCCC(=O)NN=Cc1cccc(O)c1)NN=Cc1cccc(O)c1,0
CCCCC[C@H](/C=N/N)C(O)(C(F)(F)F)C(F)(F)F,1
CCC(=O)Oc1ccc(C=NNC(N)=S)nc1,1
CN(C)CCNC(=O)c1cccc2nc3c(ccc4ccccc43)nc12.Cl,1
CN(CCCl)CCCl,1
CC(=O)N(c1ccccc1C)c1ccccc1C,0
CSC1=NCCCN1.I,0
Cc1cc(C(N)=O)cc(C)c1C(=O)OCCCl,0
O=C(c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1,1
CC(C)(CO)NC(=O)c1ccc(C(C)(C)C)cc1,0
COc1ccc(C(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1,0
O=C1CCCc2cc3c(cc21)CC1(C3)Cc2cc3c(cc2C1)C(=O)CCC3,1
COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC,1
c1cc(C2OCCO2)cs1,0
Cc1c2cc[nH]c(C(N)=O)c2c(C)c2c1nc1ccccc12.Cl,1
CCCC1OP(=O)(Nc2ccccc2)OCC1CC,0
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,0
CC(=NNC(=S)N1CCCCCCCCCCCC1)c1ccccn1,1
N#C[C@H]1C=Cc2ccccc2N1C(=O)c1ccccc1,0
Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O,0
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]45C[C@@]4(CC[C@H]5[C@@H](C)C[C@@H](O)[C@@H](O)C(C)(C)O)[C@]3(C)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C[C@H]2C1(C)C,1
Cc1cnc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12,1
CCN(CCCNc1cc2c(c(N)c1S(=O)(=O)O)C(=O)c1ccccc1C2=O)c1ccccc1,0
CN(C(=O)/C=C/c1ccco1)c1ccccc1,0
COc1cc(C(=O)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,0
N#CC(c1cc(Cl)ncn1)c1nc2cc(C(F)(F)F)ccc2s1,1
Cl.N=C(N)CC(N)=O,0
CC1=CC2OC3C(O)C(O)C(C)(C2(COC(=O)CCl)CC1)C31CO1,1
O=c1c(Sc2ncccn2)c(Sc2ncccn2)cnn1CCl,1
C=C(c1ccccc1)c1sc(=S)[nH]c1O,0
CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(Br)c1,0
Cl.c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,0
Oc1ccccc1C=NCc1ccccc1,0
O[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CN1CCCCC1,0
O=C1C(=Cc2ccc(O)cc2)COc2ccc(-c3ccccc3)cc21,1
CCOP(=O)(CC#N)OCC,0
O=c1cc(-c2cccc(OCc3ccccc3)c2)[nH]c2cc3c(cc12)OCO3,1
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCN3c4ccccc4C=Cc4ccccc43)cn2C)cn1C,1
COc1ccccc1C=C1CCC(Cc2ccccc2)(CN(C)C)C1=O.Cl,1
CCc1nc(N)nc(N)c1-c1ccc(NC)c([N+](=O)[O-])c1,1
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,0
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccc(C)cc3)C[C@@](O)([C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Cc1cc(=O)n(-c2ccccc2)n1C,0
C[Si](C)(C)CN.C[Si](C)(C)CN.Cl.Cl.Cl.Cl.[Pt+6],1
CC(OC(=O)Nc1ccccc1)C(=O)OC1CCCCC1,0
O=C(O)CSCc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0
CC(C)C(=O)/C=C/S/C=C/C(=O)C(C)C,1
COc1ccc2c(c1)CC/C(=C\c1cccc(OCC(=O)Nc3nccs3)c1)C2=O,0
C[C@]12CCC[C@](C(C#N)C(N)=O)(C1)NC(=O)C2C#N,0
Cn1ncc(CC(=O)O)c1-n1cnc2cc(Cl)ccc2c1=O,0
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1,1
OC[C@H](O)[C@H]1O[C@H](Oc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O,0
COc1ccc(-n2c([C@@H](O)c3ccccc3)nn(CN3CCOCC3)c2=S)cc1,0
O=C(OCc1cc(=O)c(OC(=O)c2ccccc2)co1)c1ccccc1,0
CN(C)CC/C(=N\Nc1ccc(Cl)cc1)c1ccccc1.Cl,1
CC(C)OC(=O)Nc1ccccc1Cl,0
COc1cccc(CNC(C)(CO)CO)c1OC,0
CCCn1cnc2c(=S)[nH]c(N)nc21,0
Brc1cnc2ccccc2c1,0
CCCCCCCCP(CCCCCCCC)CCCCCCCC,0
C[C@H](O)CN1CCNCC1,0
CC(=NNC(=O)c1ccncc1)c1ccc2ccccc2c1O,1
OCCN1CCCC1,0
CCn1c(=O)oc2ccc(Cl)cc21,0
N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(N)n1-c1ccccc1,0
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12.[Na+],0
CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1C.Cl,0
COc1ccc2c(c1)[nH]c(=O)c1c3cc(C)c(C)cc3cn21,1
CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(-c4ccccc4)cc3)nc12.Cl,1
Cc1ccc(S(=O)(=O)O)cc1.NC(=NO)N/N=C\c1c2ccccc2c(Cl)c2ccccc12,1
CCS(=O)(=O)O.Cc1cc(NC(=O)NCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F,1
O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O,0
COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@H](C(C)(C)O)C3)c(O)c1C(C)=O,1
COC1=CC(=O)N(C(=O)C(OC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C)C(C)C)[C@@H]1Cc1ccccc1,1
S=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)s1,1
CC(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])c(C(Cl)=Cc3ccccc3)cc12,1
C=C(Cl)COC(=O)C(C)OC(C)=O,0
COc1cc2c3c(n(CCN(C)C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2.O=CO,1
NNC(=O)C(O)(c1ccccc1)c1ccccc1,0
Cl.O=C1c2[nH]cc(CN[C@H]3CN4CCC3CC4)c2C(=O)c2c1c(O)c1ccccc1c2O,1
Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2C(=O)C(S(=O)(=O)c4ccccc4)=CC[C@@H]32)cc1,1
CCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1,0
O=C(O)c1ccc2cccnc2c1O,1
COc1ccccc1C=CC(=O)CCC(=O)O,0
Clc1ccccc1NCSC1=NCCS1,0
COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1,0
CCCCc1sc(N)nc1O,0
Cc1cc(C)c(C(=O)c2ccccc2C(=O)O)c(C)c1,0
N#CCc1c[nH]c2ccc([N+](=O)[O-])cc12,0
O=C1C(N2CCN(c3ccccn3)CC2)=C(Cl)C(=O)c2ncccc21,1
O=C(/C=C/c1ccco1)c1ccccc1,0
CN1CC[C@@]2(c3cccc(O)c3)CC(=O)/C(=C/c3ccccc3)[C@H]1C2.[O-][Cl+3]([O-])([O-])O,1
O=C(O)c1c2c(nc3ccccc13)C(=Cc1ccc(O)cc1)CCC2,0
COc1nc(NC=O)cc(=O)n1C,0
Clc1ccc(-c2nnc(-c3ccco3)o2)cc1,0
OC(c1cc(-c2ccccc2)nc2c1ccc1ccccc12)C1CCCCN1,1
O=C1/C(=C\c2ccccc2)CCC/C1=C/c1ccccc1,1
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)Nc3c(cnn3-c3ccccc3)C[C@@H]12,1
COc1cc(OC)cc(C(=O)N=C2C(=O)c3ccccc3C(=O)C2Cl)c1,1
CCCCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,1
Cc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,1
COc1ccc(Cn2cc3c(c2)-c2ncncc2CC3)cc1,0
COc1ccc(C(=O)CCN(C)C)cc1.Cl,0
Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1,0
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Br)o1,0
CCC(C)C(=Nc1c(Cl)c(O)c2c(O)ccc(O)c2c1O)C(=O)OC,1
CC(=O)CC(=O)Nc1ccc(C)cc1C,0
Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCCCC2)c1=O,1
N#CCN(CC#N)C1CCCCC1,0
S=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1,1
CCOC(=O)c1c(N2CCOCC2)[nH]c(=O)c(C=Nc2ccccc2OC)c1O,0
Nc1cccc2ccc(S(=O)(=O)O)cc12,0
CN(C)CCCOc1ccc(/C=C2/CCC/C(=C/c3ccc(OCCCN(C)C)cc3)C2=O)cc1,1
Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,1
O=C(O)Cc1ccc2c(c1)Cc1cccnc1O2,0
O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,0
Oc1ccc(N=Cc2ccccc2O)cc1,0
CC[C@H](C)C1C(=O)[N+]2([O-])Oc3ccc(C4=C(O)C(=O)C(c5ccc(O)cc5)=C(O)C4=O)cc3O[C@@]2([C@@H](C)CC)C(=O)N1O,1
CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1CCO,1
O=C(CC(=O)C(F)(F)F)c1ccc2ccccc2c1,0
O=[N+]([O-])c1cccc([N+](=O)[O-])c1S(=O)(=O)c1ccccc1,1
CCCCCC(O)(CCC)CCCCC,0
Cc1ccc(O)c(OCC(=O)O)c1.Cc1ccc(OCC(=O)O)c(O)c1,0
Nc1ccc2ccc(S(=O)(=O)O)cc2c1.[Na+],0
CCOC(=O)c1ccc(NC(=O)Nc2ncc(Cl)cc2Cl)cc1,0
Cc1cccc(CN2CCNCC2)c1,0
Cc1ccc(NC(=O)O[C@@H](C)N2CCCCC2)cc1NC(=O)O[C@H](C)N1CCCCC1,0
Cc1nnc2c(C#N)c(-c3cccn3C)cc(-c3ccc(Br)cc3)n12,0
CN1CCC(OC(N)=O)CC1.Cl,0
O=C(O)C(Cc1ccccc1N(CCO)CCO)N1C(=O)c2ccccc2C1=O,0
CC1=NC(C)=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2F)C1C(=O)Nc1cccc(C(F)(F)F)c1,1
COC(=O)C12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=CCC(C)C(O)C4(C(=O)OC)O5)c(O)c3C(=O)C1=CCC(C)C2O,1
N#CCNC(=O)C(c1ccccc1)c1ccccc1,0
CC=Cc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc(CN(CC)CC)c1O,1
O=C(CC(=O)Nc1ccccc1Cl)NN[C@H](c1cc(N=Nc2ccc(Br)cc2)ccc1O)[PH](=O)O,1
CCOC(=O)/C=C(\C(=O)OCC)n1ccc(=O)n(Cc2cnnn2CCCCOC(C)=O)c1=O,1
COc1ccc(C[C@@H](O)CO)cc1OCc1ccccc1,0
O=C(N/N=C/c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1,1
O=C(O)CCC1C(=O)NC(=O)C[C@H]1c1ccccc1,0
CCCCCCCCCCCCCCC[C@@H](O)C[N+](C)(C)CCO.[I-],1
CC1=NC(=Cc2cccc(Cl)c2)C(=O)O1,0
CCCCCCCCCCCCI,0
Cc1[nH]c(N)nc(=O)c1CCCNc1ccc(CCCCC2(CCl)OCCO2)cc1,0
Cn1c(=O)c2c(nc3sc4c(O)c5c(c(O)c4n32)C(=O)C=CC5=O)n(C)c1=O,1
CCCCCC/C=C\CCCCCCCC=Cc1c(O)c(OC)cc(O)c1CN(C)C.Cl,1
CCOC(=O)c1coc(C(=O)OCC)c1C(=O)OCC,0
O=[N+]([O-])c1cnc(Sc2ccncn2)s1,1
Cn1c(I)c(C#C[Si](C)(C)C)c(=O)n(C(=O)c2ccccc2)c1=O,1
CCOC(=O)C(C#N)Cc1ccccc1,0
COc1cc(C(=O)N2Cc3cc4ccccc4nc3[C@H]2C)cc(OC)c1OC,0
CN(Cc1ccccc1)c1ncnc2[nH]ncc12,0
CCOc1ccc(CC2=NC(=S)NC2=O)cc1,0
CCO/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O,0
O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)o1,1
Nc1nc(=S)ss1,0
Cl.NCCS[C@@H](C[N+](=O)[O-])c1ccccc1Cl,1
O=C(O)c1ccc(O)c(O)c1,0
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NO)C(=Cc3ccncc3)C[C@@H]12,1
CC1=CC(=C(c2ccc(N)c(C)c2)c2ccc(N)c(C)c2)C=CC1=N.Cl,1
NC(=O)C1(Nc2ccc([N+](=O)[O-])cc2)CCCC1,0
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([Se]c2ccc(Cl)cc2)CC(=O)O1,1
Cc1cc(Cl)ccc1NC(=O)NC(C)(C)COC(=O)Nc1cccc(Cl)c1,1
COc1cccc(CNC2CCCCC2)c1O,0
NC(=O)C(Cl)Cl,0
CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,1
CC(C)=CC(=O)O[C@H]1[C@H]2C(C)=C[C@@H](O)[C@H](O)[C@]2(C)[C@H]2[C@@]3(O)OC[C@@]24[C@@H]1OC(=O)C[C@H]4[C@H](C)[C@H]3O,1
CC(C)OC(c1cc2c(cc1Br)OCO2)C(C)Br,0
CCOC(=O)C(C#N)=C1C(=O)Nc2ccccc21,0
CCOC(=O)Cc1cnn(C)c1-n1c(-c2ccccc2)nc2cc(Cl)ccc2c1=O,0
O=C1C=CC(=O)C(CNc2ccc(C(=O)O[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)cc2)=C1Br,1
O=c1cn[nH]c2ccc(Br)cc12,0
CC(C)NC[C@@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1,0
COc1cc(C)c(N)cc1N,0
CC(CN(C)C)C(=O)c1ccccc1.Cl,0
CCSC1=NCCS1,0
O=c1oc2ccccc2c(=O)c2ccccc12,0
COc1cc2occ(O)c2c(OC)c1O,0
Cc1ccc(OC(=O)N(C)C)cc1,0
CC(=O)c1ccc2c3c(cc(C)c2c1)CCCC3,0
S=c1[nH]c2c(-c3ccccc3)cccc2s1,0
Nc1cc(Cl)nnc1Cl,0
CC(C)(C)c1cc(O)c(O)c(C(C)(C)C)c1,1
Cc1cc(=O)[nH]c(N2CCCCC2)n1,0
C=C(C)CN(CC(=C)C)C(=N)OCC1CCCO1,0
CC(C)(O)C#CC#CC(C)(C)O,0
Cc1cc(Br)c2nsnc2c1[N+](=O)[O-],1
O=C(CCCl)OCc1ccccc1,0
CCCCCCCc1c(Cl)nc(Cl)nc1Cl,1
CN1CCN(C(=O)OCCOCCOC(=O)N2CCN(C)CC2)CC1,0
CCOC(=O)Cc1c(C(=O)OCC)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-],1
CCCCSCSCCCC,0
CC1(C)C2CCC13C(=O)C1OC3(C2)c2c1c(O)c1cc3ccccc3cc1c2O,1
CC1(C)N=C(N)N=C(N)N1c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1.CCS(=O)(=O)O,1
C=C(C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2C[C@H](OC(C)=O)C(C)=C[C@@H]2OC(=O)C(=C)[C@@H]21,1
COC(=O)NC/C=C\c1nc(CC/C=C/C(=O)O[C@@H]2C[C@H]3CC(=O)O[C@@H](/C=C/CC(C)C)C[C@@H]4CC[C@H](C)[C@@H](C[C@@H](OC)C[C@@H](C2)O3)O4)co1,1
N#Cc1c(Oc2ccc(Cl)cc2)nc2sc3cc(Cl)ccc3n2c1=N,0
CC(=NNC(=S)NCCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,1
CC(=O)OC(OC(C)=O)C1CCCO1,0
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NO)/C(=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]12,1
O=C(OC(C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1,0
Br.Cc1n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2c([n+]1CC(C)C)C(=O)c1ccccc1C2=O,1
Cc1cc(C)c(S(=O)(=O)N(CCCCCCN)OCCCON(CCCCCCN)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1.Cl,1
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=NO)C[C@@H]12,0
Cl.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Ti+4],1
C=C1C(=O)O[C@@H]2C=C(C)[C@H]3C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3,1
CC(=O)[O-].CC(=O)[O-].CCCC[Sn+2]CCCC,1
CC(C)NC(=O)OCCN=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21,1
CC(=O)ON=C1C=CC(=C(C#N)c2ccccc2)C=C1,1
O=[N+]([O-])c1ccc(NN=Cc2ccco2)nc1,0
O=c1cc(-c2ccccc2)[nH]c2cc(F)c(F)cc12,1
CCOc1ccc(-c2oc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2-c2ccc(OCC)cc2)cc1,1
O=C1OCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3.O=C1OCc2cc3cc4c(cc3c(-c3ccc5c(c3)OCO5)c21)OCO4,1
O=C(O)C=Cc1ccc2c(c1)CCC2,0
NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc(OC)c1OC,1
CCCCCCN(CCCCCC)C(C)=O,0
O=C(NN=Cc1ccc2c(c1)CCN2)c1cccs1,0
COc1cc([C@H]2CC(c3cccc(Br)c3)=NN2C(C)=O)cc(OC)c1OC,1
CC(=NNc1nc2cc(C)ccc2s1)c1ccccn1,1
CCOC(=O)CC(c1ccccc1)N1CCCCC1,0
CCCCOC(=O)C1C[C@H]2C[C@@H]1[C@H]1O[C@@H]21,0
CCCNC1(C#N)CCN(Cc2ccccc2)CC1,0
O=C(O)C1CCCCC1Cl,0
COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)cc(-c3cc4ccccc4oc3=O)n2)cc1,1
ClCc1nc2cc(Cl)ccc2o1,1
NC(=O)NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,1
CC(C)CCNCC(C)(C)O,0
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1,1
Clc1ccc2c(c1)nc1n2CCCC1,0
COCCOP(=O)(N1CC1)N1CC1,0
COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@@H](CNC(=O)C(C)O)N3[C@@H](C#N)[C@H](C2)N1C,1
O=C(CSc1ccc(Cl)cc1)NC(O)C(Cl)(Cl)Cl,0
Nc1[nH]c(-c2ccccc2)nc(=O)c1N=O,0
Cc1nnc(Cc2ccccc2)c2[nH]nc(C)c12,0
COc1cc(O)c(C(=O)CC(=O)c2ccncc2)c(OC)c1,0
O=C(NNC(=O)OCc1ccccc1)OCc1ccccc1,0
CC(=O)n1cc([C@@H]2CC(=O)OC3=C2C(=O)CCC3)c2ccccc21,0
Cc1sc2nc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(/C=N/N=C(N)N)n2c1C.Cl,1
CC(C)N1CCN(S(=O)(=O)c2ccccc2)c2ccccc21,0
Fc1cc(-c2nnc3n2N=C(Nc2cc(Cl)c(Cl)cc2Cl)CS3)c(Cl)cc1Cl,0
CCOC(=O)C(C=Nc1ccccc1Cl)C(=O)OCC,0
NC(=O)Cn1c(O)c2c(c1O)C1CCC2C1,0
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NCCN4CCN(C)C,1
COc1ccccc1C(=O)OCCc1ccccc1,0
C/C(=N\NC(=S)N1CCN(c2ccccn2)CC1)c1cccc2cccnc12,1
COC(=O)NC/C=C\c1nc(CC/C=C\C(=O)O[C@@H]2C[C@H]3CC(=O)O[C@H](/C=C/CC(C)C)C[C@H]4CC[C@H](C)[C@@H](C[C@H](OC)C[C@@H](C2)O3)O4)co1,1
COc1ccc(CCn2cnc3cc(NC(=O)CN4CCN(C)CC4)c(Oc4cc(C)cc(C)c4)cc3c2=O)cc1OC,1
OCC(O)CN1CCN(c2ccccc2)CC1,0
N#CCc1ccc(Cl)c(Cl)c1,0
CN(C)CCC(C(=O)c1ccccc1)c1ccncc1,0
CCON1C(=O)C2(CCCCC2)C(=O)[C@@]12C=CCCC2,0
O=[N+]([O-])C(=C(Cl)Cl)C(Cl)=C(Cl)Cl,1
NC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O,0
COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(C(=O)C=Cc1ccccc1)CC3,1
Cc1ccc(O)c(S(=O)(=O)O)c1,0
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)O1,1
O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12,0
CCCC[Sn](Cl)(Cl)CCCC,1
CN(C)n1cc(C#N)c(=O)[nH]c1=O,0
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(OC2=C(C(=O)c4c(O)cc(OC)c(O)c4C2=O)[C@H]1O[C@@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1)[C@H](O)C3,1
COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1,1
C[C@@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)C3=NN=C[C@@H]3C[C@@H]12,0
CCN(CCCl)CCNc1c2ccccc2nc2ccc(OC)cc12.Cl,1
CCCCCC1(C(C)C)C(=O)NC(=S)NC1=O,0
COc1ccc(C(c2c(C)c(O)c3ccccc3c2O)=c2ccc(=C(C)C)cc(O)c2=O)cc1,1
O=c1cc(-c2ccccc2Cl)[nH]c2cc3c(cc12)OCO3,1
Cc1cc(C(C)(C)C)cc(C)c1O,0
O=C(Nc1ccccc1Cl)c1ccc(C(=O)Nc2ccccc2Cl)cc1,0
Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,1
CCOC(=O)COc1c(C)cccc1C,0
O=S(=O)(F)c1ccc2nc(-c3cccc(Sc4ccccc4)c3)cc(Cl)c2c1,0
CC1(C)c2ccccc2C(=O)c2ccccc21,0
O=P(O)(O)c1cccc(Cl)c1,0
C=C(C)COc1cc(C)c(Cl)cc1Cl,0
c1cc(C2CCCCC2)ccc1OCCCCCCN1CCNCC1,1
CC(=O)OC1=C2C(C)C(OC(=O)C(OC(=O)CCCC(=O)NCCCN(C)C)C(NC(=O)c3ccccc3)c3ccccc3)CC(O)(C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C1=O)C2(C)C.Cl,1
O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1,0
CC1(C)OC(=O)CC1CCCC(=O)O,0
CCC(CC)n1c(C)cc(=O)n1C(CC)CC,0
CC(=O)C1C(=O)C(N)C2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)C2(O)C1=O.CCCCCCCCCCCCOS(=O)(=O)O,1
COc1ccc(C#CC2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1,1
CCCCC[C@@H]1CCCCN1C(=O)OCC,0
O=[N+]([O-])c1ccc2[nH]c(=S)[nH]c2c1,0
CN(C)c1nc(Cl)nc2c1nc(Cl)n2[C@@H]1CCCCO1,0
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0
C=CC(=O)Nc1c(O)c(N2C[C@H]2C)c(NC(=O)CC)c(O)c1N1C[C@H]1C,0
CC(C)OC(=O)Nn1cnc2ccccc21,0
Cc1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-],1
CC(=NNC(=S)N1CCC(N2CCCCC2)CC1)c1ccccn1,1
Nc1nc(O)cs1,0
NC(CCC(=O)NC(CSCc1c(O)[nH]c2ccccc12)C(=O)NCC(=O)O)C(=O)O,1
Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Cl)cc1,1
CNC(=O)Oc1ccc(C(C)=O)cc1,0
NC(=S)NN=Cc1ccc([N+](=O)[O-])cc1,0
O=C(OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](F)[C@H]1OC(=O)c1ccccc1)c1ccccc1,0
O=[N+]([O-])C=Cc1ccc2ccccc2c1,1
O=C(Nc1ccc(Cl)c(Cl)c1)ON=Cc1c(Cl)ccc([N+](=O)[O-])c1Cl,1
O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1nccs1,0
COc1cccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)c1OC,1
CNC(=S)N(C)C,0
Cc1cc(Cl)cc(C)c1O,0
O=c1oc2ccccc2c2nc3c(ccc4ccccc43)cc12,0
O=C1NC(=S)S/C1=C\c1cccc([N+](=O)[O-])c1,0
COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1,1
COc1cc(C(C#N)NNC(=O)c2ccccc2O)ccc1O,1
Clc1cccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)c1,1
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.[Cl-].[H+],0
c1ccc(CNc2nc[nH]n2)cc1,0
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@@H](C)O2)c2c(cc3c(O)c4c(c(O)c3c2O)C(=O)C=CC4=O)C1C(=O)OC,1
c1cc(CCc2ccncc2)ccn1,0
N#CC(C#N)=C/C=C/c1ccccc1[N+](=O)[O-],1
COc1ccccc1NC(=O)NNC(=O)c1ccncc1,0
Cc1nc(C2CCC3C4CC=C5CC(=O)CCC5(C)C4CCC23C)cs1,1
NC(=S)NN=Cc1cc(-c2cccc(N)c2)ccn1,1
[O-][S+](Cc1cc2c(cc1Br)OCO2)c1ccccc1,0
O=C(/C=C/c1ccccc1)C[C@H](c1ccccc1)N1CCOCC1,1
CC(=NNC(=S)NCCCCNC(=S)NN=C(C)c1ccccn1)c1ccccc1,1
CCCCCCOC(=O)C=C(CC(=O)OCCCCCC)C(=O)OCCCCCC,0
COC(=O)CC(C)=Nc1ccc(Cc2ccc(N=C(C)CC(=O)OC)cc2)cc1,0
O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1,0
CCCC1(C)C(C#N)C(=O)NC(=O)C1C#N,0
CCCn1cnc2c(SCCc3ccccc3)nc(N)nc21,0
CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1,0
O=[N+]([O-])c1nccn1C[C@@H](O)CF,0
O=C1c2ccccc2C(=O)N1c1nccs1,0
C[Si](O)(O)O.O=C(O)c1ccccc1O.[K+],0
O=C(O)C1=CCCc2ccc(F)cc21,0
Cc1cc(C)c2cc3cccc[n+]3cc2c1.[Br-],0
C(=N/OCc1ccccc1)\c1cccnc1,0
O=C(Nc1ccc([As]=[As]c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1,1
CC(C)NC1(C(N)=O)CCNCC1,0
Br.CCN(CC)CC(C)C(=O)C=Cc1ccc(C)cc1,1
CN(C)CCOC(=O)Nc1cccc(Cl)c1,0
Cc1nn2c(=O)c([N+](=O)[O-])c(/C=C/c3ccc(F)cc3)nc2s1,1
CC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(cc4C1)C(=O)CCC5)C3)CCCC2,1
CC(=O)Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1,0
O=C1NC(=O)C(=Cc2ccccc2[N+](=O)[O-])C(=O)N1,0
O=c1c(Sc2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCCNCCO)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
CCN(CC)CC(O)CNc1ccc(NCC2CO2)c2c1C(=O)c1ccccc1C2=O.O=C(O)C=CC(=O)O,1
COc1cccc(-c2cc(=O)c3cc(C)cnc3[nH]2)c1,1
C[C@@H]1CCN(C(=O)CCCl)c2ccccc21,0
Cc1c(/C=N/N(C)C)oc2c1cc(O)c1ncccc12,1
Cc1ccc(S(=O)(=O)n2cc([C@]3(O)C[C@@H](CC#N)OC3=O)c3cc(Br)ccc32)cc1,0
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCCNCCO)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O,1
CN(C)CCNc1nc2ccccc2c2c1C(=O)c1ccccc1-2,1
O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2[N+](=O)[O-],0
O=c1ccn(Cc2ccccc2)c(SCc2ccccc2)n1,0
Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(Nc2c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-],1
COc1c2nc(CCl)n(C)c(=O)c2c(OC)c2c(=O)n(C)c(CCl)nc12,1
CCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,1
CCOC(=O)c1sc(NC(=O)NC2CCCCC2)nc1C,0
O=C(O)c1ccc(C=NNC(=O)c2cccc3ccccc23)cc1,0
CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C,0
COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC,1
CCc1cccc(O)c1,0
COc1ccc(C(=O)/C=C/c2ccc(OCC(=N)N)cc2)cc1OC.Cl,1
COc1cccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)c1OC,1
Cc1cc(C)c(-n2cnc3c(=O)[nH]c(N)nc32)cc1C,0
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1,1
CCCCOP(=O)(N1CCOCC1)N1CCOCC1,0
C1COC(C2OCCO2)C1,0
NP1(Oc2ccc(F)cc2)=NP(N)(Oc2ccc(F)cc2)=NP(Oc2ccc(F)cc2)(Oc2ccc(F)cc2)=N1,1
NC(=O)SCC(=O)Nc1ccccc1C(=O)O,0
COc1ccc(C(=O)COc2cccc(/C=C3\Oc4ccccc4C3=O)c2)cc1,0
O=[N+]([O-])C(F)(CCNCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3c(C)cccc23)ccc1O,1
CC1OC(O)CC(N(C)C)C1O.CC1OC(O)CCC1O.CCC1CC(O)C2=C(C(=O)c3c(c(O)c4c(O)cccc4c3O)C2=O)C1O,1
CC(=O)N1c2ccccc2Sc2ccccc21,0
CCCSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
Oc1ccccc1C/C=N/C1CCCCC1,0
Cc1cc(-c2ccccc2)cc(=O)[nH]1,0
COC1(OC)C2(Cl)CC(OC(C)=O)C1(Cl)C(Cl)=C2Cl,0
CCCCC1Nc2nc(OC)n(C)c(=O)c2CN(Cc2ccccc2)C1=O,0
CC1C=CCCC12C(=O)NC(=O)NC2=O,0
Cc1cc(O)c(C(C)C)cc1S(=O)(=O)O.N=C(N)NN=Cc1ccco1,1
COc1ccc2[nH]c(S(=O)(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1,1
O[C@H]1CCC[C@H]1NCc1ccnc2cc(Cl)ccc12,0
COc1cccc2nc3c(C(O)=NCCN(C)C)cccc3nc12.Cl,1
COc1ccccc1[N-]C(C1=C([O-])c2ccccc2C1=O)c1ccccc1.COc1ccccc1[N-]C(C1=C([O-])c2ccccc2C1=O)c1ccccc1.[Cu+4],1
O=c1ccc2ccc(O)c3c4c(=O)ccc5ccc(O)c(c1c23)c54,1
O=C(CCN1CC1)OCCOC(=O)CCN1CC1,0
CN1CCN(Cn2nc(COc3ccc(Cl)cc3)n(/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2=S)CC1,1
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,0
CN(C)CCOc1ccc2c(c1)CC(=Cc1ncc([N+](=O)[O-])n1C)C2=O.O=S(=O)(O)O,1
O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(O)c1,0
Cc1cc(=O)c(C=NC(=S)c2ccncc2)c(O)o1,0
COc1cc2c(cc1OCCCCCN1CCN(CCCCCOc3cc4c(cc3OC)C(=O)C3CCCC3C=N4)CC1)N=CC1CCCC1C2=O,1
Cc1ccc(N(CCCl)CCCl)cc1,1
CCCCCCCCCCCCCC(=O)O[C@H]1CCC(NC(=O)C(OC)[C@@H](O)[C@@H](O)[C@@H](O)/C=C/C(C)C)C(=O)N(C)C1,1
O=S(=O)(O)c1cc(O)c2ccc(Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)cc2c1,0
N#Cc1cccnc1,0
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc2c1CCCC2,0
CC(C)n1cc(C#N)c(N)n1,0
CNC(=O)Oc1ccc(N(C)C)cc1C(C)C,0
CN1CCCC[C@H]1Cc1ccccc1,0
CCC(CC)(N(CC(=O)O)CC(=O)O)C(CC)(CC)N(CC(=O)O)CC(=O)O,0
O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12,1
COc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2,0
CCCC[C@@H]1N=CNc2c1ccc1c2[nH]c2ccccc21,1
CCCC(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO,1
CCOC(=O)c1[nH]c(C)c2c1CCc1cnc(N)nc1-2,0
CCCCc1c2c(c(C)c3c1C(=O)OC3)Oc1ccccc1O2,1
CC(=O)NS(=O)(=O)c1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1,0
Cc1cc(C)nc(SCC(=O)O)n1,0
CCSc1nc2c(=O)n(C)c(=S)n(C)c2[nH]1,0
Nc1c(Cl)c(Cl)cc(Cl)c1Cl,0
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CP(=O)(O)O)C(O)C1O,0
O=c1c2ccccc2n2nnc3ccc(NCCNCCO)c1c32,1
C[C@@H]1COC[C@@H](C)N1C1=C(Cl)C(=O)c2ccccc2C1=O,1
CN(C)CCNC(=O)c1cccc2cc([N+](=O)[O-])ccc12.Cl,1
N#Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nn(CCO)c1=O,1
Cc1nc(-c2ccccc2)no1,0
CCCCCCCOC(N)=O,0
O=C1CS[C@@H](c2ccccc2Cl)N1c1nnc(Cn2cnnc2)o1,1
CN(C)CCNc1c2c(c(NCCN(C)C)c3c(CO)c[nH]c13)C(=O)c1ccccc1C2=O,1
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O,0
Cc1cccc(C)c1Nc1n[nH]c(=S)s1,0
CC[C@@H]1CC[C@@H](C)N(N=O)C1,0
O=C1c2ccccc2C(=O)N1C1C(=O)N2CCS[C@]12C(=O)OCc1ccccc1,0
CCOC(=O)c1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1,0
COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1=O)CCC3,1
O=C1c2cc([N+](=O)[O-])sc2C(=O)c2ccsc21,1
Cc1cc(C)[nH]c(=S)n1,0
COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCN(C)C)c2c1,1
O=c1[nH]c(CN2CCN(c3ccccc3)CC2)nc2c(Br)cc(Br)cc12,0
[N-]=[N+]=CC(=O)CCC(N)C(=O)O,1
CCOc1cc(C=NNc2ccc([N+](=O)[O-])cn2)ccc1O,0
COc1ccc(C2=CC(c3ccc4c(c3)OCO4)c3c(c4ccccc4oc3=O)O2)cc1OC,1
O=c1oc2c(cc1-c1ccccc1)[C@@H](O)Oc1ccccc1-2,1
O=C(O)c1cccc(-c2ccccc2)c1O,0
O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl,0
COc1ccc2c(c1)c1c(C)c3c[n+](C)ccc3c(C)c1n2C.[I-],1
Cc1cccc(C(=O)C=C(C(F)(F)F)C(F)(F)F)c1,0
CC[C@H](O)c1ccccc1,0
Cn1cnc2c(cnn2C)c1=N,0
COc1ccc2[nH]cc(-c3ccc(-c4c[nH]c5ccc(OC)cc45)s3)c2c1,1
Oc1ccc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1O,1
CC(SC(C)C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1,0
CC1COS(=O)(=O)C1,0
N#CC1(C#N)C2=C(CCCC2)N[C@H](c2ccc(Br)cc2)C1(C#N)C#N,1
C#CCn1c(=O)c(C)cn(/C(=C/C(=O)OCC)C(=O)OCC)c1=O,1
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN4CCCCC4)C(CC(OC4OC(C)C(O)C(N)C4O)/C=C/C=C/C=C/C=C\C=C/C=C/C=C/C2C)O3)cc1,1
CCCCOC(=O)CCN1CCN(c2ccccc2C)CC1.Cl,0
N=C(NOC(=O)c1ccccc1)C(C(=O)NOC(=O)c1ccccc1)C1CCCCC1,1
Cl.N=C(N)SCc1ccccc1,0
COc1cc(/C=C/C(=O)c2nc3cc(F)ccc3nc2C)cc(OC)c1OC,1
O=C(Nc1cccc(Cl)c1)C1CCCC1=Nc1cccc(Cl)c1,0
COc1ccc(OC)c(C=C(C)[N+](=O)[O-])c1,1
CN(C)CCNC(=O)c1cccc2c1nc(-c1cccnc1)c1ccccc12.Cl,1
Cc1ccc(-n2cnc3c(=O)[nH]cnc32)cc1,0
Cc1cccc2nnc(-c3ccccc3)n12,0
CCOC(=O)CC(C(C)=O)C(=O)OCC,0
COc1cc(NC(=O)NCc2ccco2)ccc1-c1ccc(NC(=O)NCc2ccco2)cc1OC,1
CS(=O)(=O)O.Cc1cccc2[nH]c3ccccc3c(=Nc3ccc(NS(C)(=O)=O)cc3)c12,1
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)o1,0
Br.CC(C)(CN1CCOCC1)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)CN2CCOCC2)cc1,1
CC(C)n1cnc2c(=S)[nH]cnc21,0
C=CCNC(=S)Nc1cccc([N+](=O)[O-])c1,0
Cc1nc2cccnc2nc1C,0
NC(=O)c1cn(C2OC(CO)C(O)C2O)c2nc[n+]([O-])c(N)c12,1
Cc1ccc2c(c1)C1(C)OC(C=CC1=O)O2,1
Nc1nc(=O)n([C@@H]2CCCO2)cc1Br,0
CC[C@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@@H](O[C@H]3C[C@@H]4O[C@@H]5CC(=O)C(C)O[C@H]5O[C@H]4[C@H](C)O3)[C@H](C)O2)c2c(cc3c(O)c4c(c(O)c3c2O)C(=O)C=CC4=O)C1C(=O)OC,1
COc1cc(C=CC(=O)c2cccc(-n3cc(-c4ccccc4)[nH]c3=O)c2)ccc1O,1
CN(C)c1ccc(/N=C/c2ccccc2)cc1,0
O=C(O)CCC(=O)c1cccc2ccccc12,0
CCOC(=O)c1ccc(NS(C)(=O)=O)cc1,0
O=C(O)/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.[Cl-].[Cl-].[H+].[H+],1
C=C(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@@]23C[C@@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]2O)[C@]13C,1
O=C(COC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCN(CCCc2ccccc2)CC1.O=C(O)/C=C\C(=O)O,1
O=C1C=CC2(O[C@H](C3CCCCC3)[C@@H](C3CCCCC3)O2)[C@@H](SC(=O)c2ccccc2)C1,1
Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)cc(CC(O)(C(F)(F)F)C(F)(F)F)n1,1
COc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1,1
COc1ccccc1C1OCC(C)(C)CO1,0
COC(=O)c1cc2oc(/C=N\NC(=O)c3cc4oc5ccccc5c4[nH]3)cc2n1C,0
Nc1ccc(-c2cn3ccsc3n2)cc1,0
N=C(N)SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1
CC(=O)Oc1ccccc1C(=O)c1c2cccc(O)c2c(O)c2c(O)cccc12,1
CCC1=C(C)C(=Cc2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C.Cl,1
C=CC[C@@H]1CCCC/C1=C(/C#N)c1ccccc1,0
CCCCC(=O)N(CC)CC,0
COc1cc(C2=C(c3ccc4ccccc4c3)COC2=O)cc(OC)c1OC,1
c1ccc2c(OC[C@H]3CO3)ccc(OC[C@@H]3CO3)c2c1,1
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1,1
Cc1ccc(C(=Nc2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1
O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-],1
Cc1ccc(OS(=O)(=O)c2ccccc2)cc1,0
CC(=O)[O-].CCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1,1
CC(=O)O[C@H]1[C@@H](F)[C@@H](O[C@@H]2C[C@](O)(C(C)=O)C=C3C(=O)c4c(c(O)c5ccccc5c4O)C(=O)C32)O[C@@H](C)[C@H]1OC(C)=O,1
CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Oc3ccccc3)ccc12,1
C=C1C(=O)C23CC1CCC2C12COC3(O)C(O)C1C(C)(C)C=CC2=O,1
Cn1c(=O)c(C#N)c(-c2ccccc2)n2c(=S)[nH]nc12,0
Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,0
c1ccc2c(CNCCCCCCCCNCc3cccc4ccccc34)cccc2c1,1
O=C(Nc1ccccc1O)c1ccc(CNc2ccnc(C(F)(F)F)c2)cc1,1
O=C(O)C1=C(C(=O)O)C2C(=O)CCC1N2Cc1ccccc1,1
O=[N+]([O-])c1ccco1,0
CCOC(=O)C(C)(C)C(=O)O,0
CC1(C)[C@@H]2C[C@H]1c1cnc(-c3ccccn3)cc1[C@H]2[C@@H](O)[C@@H]1c2cc(-c3ccccn3)ncc2[C@H]2C[C@@H]1C2(C)C,1
COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)c(OC)c1,1
O=C1N=C(Cc2c(O)ccc3ccccc23)C(=O)N1,1
CCCCCCCCCCCCC1N=C(N)NC2(CCCO2)C1C(=O)OC,1
Nc1cccc(Cl)c1,0
Cc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1,1
O=C(NC(=S)Nc1ccccc1Cl)c1ccccc1,0
O=C(O)C(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2,0
N#Cc1c(-c2ccccc2)nc(=S)[nH]c1N1CCN(Cc2ccccc2)CC1,0
CC(=O)NC[C@@]1(O)CCC[C@@H](C)C1,0
COC(=O)c1cccnc1,0
Cn1c2nc(=O)[nH]c(=O)c-2cc2ccccc21,0
COc1ccc(/C=C/C(=O)C(C)(C)Br)cc1,1
CCC(N)=O,0
CC1(C)COC(c2ccccc2Cl)OC1,0
Cc1cc(C)c2c(=O)cc(-c3cccc(Cl)c3)[nH]c2n1,1
O=C(/C=C/c1cccnc1)c1ccccc1,1
N[P@@](=O)(Oc1ccccc1)c1ccccc1,0
O=[N+]([O-])c1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1,0
CCCn1c(CN(Cc2nc3ccccc3n2CCC)Cc2nc3ccccc3n2CCC)nc2ccccc21,1
COC1(OC)C2C=CC1C1CCC=CCCC12,0
C[C@H](CCCNCCCNCCCN)[C@H]1CC[C@H]2[C@@H]3[C@H](OCCCN)C[C@H]4C[C@H](OCCCN)CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C,1
CC(=CC1=NC(=O)NC1=O)Cc1ccccc1,0
CC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(C)cc2[n+]1[O-],1
[O-][S@+](c1ccccc1O)[S@@+]([O-])c1ccccc1O,0
CCCC[Sn+2]CCCC.Cc1ccc([O-])c(C[O-])n1,1
CCOC(=O)c1c[nH]c(SCC)nc1=O,0
COc1cccc2c1OC(c1ccc(C#N)cc1)C([N+](=O)[O-])=C2,1
O=C1c2ccccc2S(=O)(=O)N1CO,0
Cc1ccc(S(=O)(=O)C2=Cc3ccc(C(F)(F)F)cc3[C@]2(O)c2cccc(C(F)(F)F)c2)cc1,1
CC(C)(C)c1ccc(SCC(=O)O)cc1,0
COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-])cc1,0
CN(CCc1ccccn1)C(=S)NN=Cc1ccccn1,1
CCCCCCCCCCN1CCC(N2CCCCC2)CC1,1
O=C(NC1CCCCC1)c1csnn1,0
CC(C)[C@H]1C[C@](CO)(CNc2nc(N)nc(Cl)c2C=O)C1,1
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O,1
N=C(N)N=C(N)Nc1ccc(O)cc1,0
Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1,0
COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1OC,1
COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCO)c2c1,1
N#Cc1c(-c2ccccc2)cc(Nc2ccc(Cl)cc2)n2c1nc1ccccc12,1
CCN(CC)C(=O)/C=C/c1ccccc1,0
COc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)c4cc(OC)c(OCc5ccccc5)cc4N)cc3)cc2)c(N)cc1OCc1ccccc1,0
Cc1[nH]nc2c(=S)[nH]c(=O)[nH]c12,0
Cc1ccc2cccc(OC(=O)Nc3ccc(C)c(NC(=O)Oc4cccc5ccc(C)nc45)c3)c2n1,0
Cc1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1,1
O=P1([C@@H](O)/C=C/c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1,1
CC(=O)c1ccc(Nc2c3ccccc3nc3occc23)cc1,1
Cc1cc(O)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2,0
CC1=NC(C)=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C1C(=O)OCCc1ccc([N+](=O)[O-])cc1,1
O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1,0
CCCC(OC(C)=O)c1ccc2c(c1)OCO2,0
CCCCc1c(O)[nH]c(=S)n(C)c1=O,0
N#CC(C#N)/N=N/c1cc(Cl)ccc1Cl,0
O=c1cccc(C#CC#CCCCO)o1,1
Cc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1,0
NC(=O)C1C(=O)c2ccccc2[C@]1(C[N+](=O)[O-])c1ccccc1,0
COc1cc(C=C(C#N)C(=O)c2ccccc2)cc(OC)c1OC,0
CN(C)CC1CCC/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O.Cl,1
Cc1ccccc1N=C(N)N,0
O=C1c2ccccc2C(=O)N1C1C(=O)N2CCSC12C(=O)OCc1ccccc1,0
CCNC=O,0
Oc1c(CNCCCN2CCCC2)cc(Cl)c2cccnc12,1
CN(C)CC1CCC(=Cc2ccc(O)cc2)C1=O.Cl,1
CN(C)c1nn2c(-c3ccccc3)nnc2o1,0
CC[C@]1(O)C[C@H]2CN(CCCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.COS(=O)(=O)O,1
O=[N+]([O-])c1cc2c(c3nonc13)OCCCCO2,1
COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1.Cl,1
CC(=O)Nc1ccc(S(=O)(=O)N=C(C2CCCC2C)N2CCOCC2)cc1,0
Cc1cc(=O)oc2c3c(ccc12)OC(c1ccc(Br)cc1)CC3=O,1
COc1cc(NP(=O)(Oc2ccccc2)Oc2ccccc2)ccc1Nc1c2ccccc2nc2c1[nH]c1ccccc12,1
Nc1nc(N)c(N)c(Nc2ccc(CCO)cc2)n1.O=S(=O)(O)O,0
CCOC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,0
O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1Cl,0
CC(=O)C1=C(C)C2CC3(C)CC(C2(C)C1)C3(C)C,0
COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCCC1C=N2,1
CS(=O)(=O)N1CC(CCl)c2ccc(O)cc21,1
CC(C)(C)C(Br)C(=O)Nc1ccccc1,0
COc1cc(-n2ccnc2-c2ccc3ccccc3c2)cc(OC)c1OC,1
O=C(c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1,0
Cc1c2nc3ccc(O)cc3c2c(C)c2ccc[nH]c12,1
C=C[Sn](C=C)(Sc1cccc2cccnc12)Sc1cccc2cccnc12,1
CC(C)=CCN,0
COCC(=O)Oc1cc(-c2ccc(C)cc2C)c(OC(=O)COC)c(-c2ccc(C)cc2C)c1,1
CC(=O)O.N=c1[nH]c(N)nc2ccc3c(ccn3Cc3cccc([N+](=O)[O-])c3)c12,1
CC1(C)CCCC[C@@H]1/C=C/C(CC(O)(C(F)(F)F)C(F)(F)F)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1
CCCNCCC,0
Cc1nn2c(=O)c([N+](=O)[O-])c(C=Cc3ccccc3)nc2s1,1
O=[N+]([O-])c1ccc2c(Nc3ccccc3-c3ccccc3Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc34)c3ccccc3nc2c1,1
O=C1C=CC(=O)N1c1ccc(N=Nc2ccccc2)cc1,0
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCNCCCN)OCO2,1
NCCc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1,1
CC(=O)c1ccc(N2CCNCC2)cc1,0
Cc1ccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)cc1,1
Cc1ccc(S(=O)(=O)Oc2cc(-c3ccccc3)nc3ccccc23)cc1,1
COc1ccc(CN=C2C(=O)c3ccccc3C(=O)C2NC(C)=O)cc1,1
COc1cc(C)c2ccccc2n1,0
CC(=O)NC(C)(C)C#N,0
CC/C(=C\c1ccc(N(C)C)cc1)c1ccncc1,1
Cn1[nH]cc(C=NC(N)=O)c1=O,0
Cc1ccc2ccc(C#N)cc2c1O,0
CCOC(=O)[C@]1(C)CCCCC1=O,0
CC(C)N(C(=O)c1ccccc1)C(C)C,0
COC(=O)C(CC(=O)c1ccc(Cl)cc1)c1ccccc1,0
CCCCCCCCCCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C,1
CCC1(C)NC(=O)NC1=O,0
Cc1ccc(N2CCN(C(=S)c3cccs3)CC2)cc1,0
O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0
CC(=O)CC(C)=Nc1cccc(N=C(C)CC(C)=O)c1,0
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)O)[nH]c(=O)c12,0
Cc1ccc(Nc2cc(N)[nH]c(=O)n2)cc1C,0
O=C(SC(=S)NCCNC(=S)SC(=O)c1ccccc1)c1ccccc1,0
CCNc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1,0
COc1cc(C2c3cc4c(cc3C(NC(=O)c3cccc([N+](=O)[O-])c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
NS(=O)(=O)c1cc(Br)c2c(c1)S(=O)(=O)NCN2,0
COc1ccc(-c2cc3c(oc2=O)-c2ccccc2O[C@@H]3O)cc1,0
N#C[C@H](NNC(=O)c1ccccc1O)c1ccc(O)cc1,1
O[C@@H](CN1CCOCC1)c1ccccc1,0
O=C(NN=Cc1c(O)ccc2ccccc12)C1CC1,1
Cc1cc(C)n2c(SCc3nc(=O)c4c5c(sc4[nH]3)CCCC5)nnc2n1,0
COc1cc2c(cc1OC)C1C(=O)c3cc4c(cc3C1N(C)C2=O)OCO4,1
COc1ccc(OC)c2c1CC1C(C#N)N3C(Cc4c(OC)ccc(OC)c4C3C)C(=O)N1C2C,1
C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3[C@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@@]65O)C4)O[C@H]3C)O[C@H]2C)C[C@@H](O)[C@H]1O,1
CC(=O)C1=CCC(C)(C(=O)O)C2=CC(C)C(=O)C(C)(O)C12,0
O=C(COc1ccc(/C=C2\Cc3ccc(Cl)cc3C2=O)cc1)Nc1nc2ccccc2s1,0
CCCCCCCCCCCC1=NC(C)(C)CN1C(C)C,1
ClCCn1c(CCl)nc2ccc(Cl)cc21,1
OCC(O)COc1ccccc1,0
O=C1Nc2cccc(Cl)c2/C1=C\c1cccnc1,1
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1cc([N+](=O)[O-])ccc1F,0
CCOc1ccc(NC(=O)Nc2cc(C(C)C)ccc2C)cc1,1
Cc1ccc(I)c([N+](=O)[O-])c1,0
CCCC(C)OC(=O)c1cccc([N+](=O)[O-])c1,0
CN=C1CC(=O)c2c(c3c4ccccc4c2c2c(O)c(Br)c(OC)c(O)c32)C1=O,1
Cn1c(=O)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3nc-2c1=O,1
COc1ccc(Cc2ccccc2C(=O)O)cc1,0
COC(=O)C12ONC3CCC(OCc4ccccc4)C(C(OC(C)=O)C(OC(C)=O)C1O[Si](C)(C)C(C)(C)C)C32C(=O)OC,1
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc(=O)c1O,1
CC[C@H]1[C@@H](C)C=NN1c1nc(N)nc(/C(C#N)=N/c2ccc(N(C)C)cc2)n1,1
CC1CCCc2c1nc1ncnc(N)c1c2-c1ccc(Cl)cc1,0
CCN(CC)CCCNc1ncc(C)c2[nH]c3ccncc3c12.O=C(O)C=CC(=O)O,1
CCOP(=S)(S)OCC,0
COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(OC7CC(O)C(O)C(C)O7)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3C(=O)OC4(CC(C)C(CO)=CC4C=C2C)C3=O)CC1(C)[N+](=O)[O-],1
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](c6ccccc6)O[C@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)C23)OCO4)cc(OC)c1OC,1
Cc1ccc(NC(=O)N[C@@H]2OC(=O)c3ccccc32)cc1,0
CCN(CC)C(=S)NN=Cc1ccccn1,1
O=c1[nH]c(CSc2nnc3ccccn23)nc2cc(Cl)ccc12,0
CCCCCCCCCCC[C@@H](c1ccccc1)[N+](C)(C)C.Cc1ccc(S(=O)(=O)[O-])cc1,1
CN(C)C(=S)N=c1ssc(=S)n1Cc1cccnc1,1
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1.CCS(=O)(=O)O,1
CCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC,0
FC(F)(F)c1cc([C@@H]2SCc3nc4ccccc4n32)cc(C(F)(F)F)c1,1
O=C(O)c1cccnc1C(=O)O,0
CCOC(=O)Nc1ccccn1,0
O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)cc3)nc21,1
S=P(N1CCCCCC1)(N1CC1)N1CC1,0
CCN(CC)CCSc1nc2ccccc2n1C.Cl,0
COC(=O)C1=CN(C)C(c2ccccc2)C=C1,0
CC1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)C(Cl)C(=O)N2c1nc2ccccc2s1,1
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)OC[C@H](O)CO)[C@@]3(C)C1=O)C2(C)C,1
CC(=NO)c1cccc(Nc2nc3ccc(Cl)cc3c3[nH]c4ccccc4c23)c1,1
CCCCOC(=O)NC(c1ccccc1)C(O)C(=O)O[C@@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C,1
O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccccc1Cl,0
Cn1c(SCc2ccccn2)nc2c1c(=O)[nH]c(=O)n2C,0
Cc1cc(C)c(F)c(C)c1N,0
O=C1c2cc(Cl)ccc2O[C@@H]2CCON12,0
CCCCCCCCCCCCCCCCOC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[P@@H](=S)OC,1
Cl.FC(F)(F)c1cc(CN(CCCl)CCCl)cc(C(F)(F)F)c1,0
OC[C@H]1O[C@H](n2cnc3ccccc32)C[C@H]1O,0
CCCCn1ccc(=O)[nH]c1=O,0
O[C@@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccccc1,0
Nc1nc(I)nc2c1ncn2[C@@H]1O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1O,1
CN1CCN(CCCCN2c3ccccc3Sc3ccc(C(=O)c4ccccc4)cc32)CC1.O=C(O)C(=O)O,1
O=c1[nH]c(=S)c2[nH]c(=S)n(-c3ccccc3)c2[nH]1,0
NS(=O)(=O)c1ccc(N=NNc2ccc(S(=O)(=O)O)cc2)cc1,0
Clc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1,0
O=C(O)c1ccccc1N/N=C/c1ccccc1,0
CSc1nc2cncnc2[nH]1,0
O=C(NN=Cc1ccccc1O)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccccc1O,1
CC(C)(C)NC/C(=C\c1ccccc1)C(=O)c1ccccc1,1
CC(C)CN(CC(C)C)C[C@H](O)c1ccc(Br)cc1.Cl,0
CCOC(=O)CSCC(C)C(=O)OC,0
Cc1ccc(-n2c(O)cc(Sc3ccccc3N)c2O)cc1,0
CCCCCCCCC(=O)OC[C@H](CS[As](C)C)OC(=O)CCCCCCCC,1
COc1ccc2c(c1)CCCc1c-2nc2ccccc2c1N,1
C=C1CC2C=Nc3cc(OCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)CC4C=N5)c(OC)cc3C(=O)N2C1,1
CCOC1=NC(=C(c2ccccc2)c2ccccc2)OC1=O,0
CCN1CC[C@](O)(/C=C/c2ccccc2)C(C(=O)/C=C/c2ccccc2)C1.Cl,1
Fc1ccccc1Nc1n[nH]c(=S)s1,0
COc1ccc2c(c1)[C@@H](CC(=O)NN)CCC2,0
Cc1ccc(CSc2ncnc3[nH]cnc23)cc1,0
O=c1[nH]c(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)nc2ccccc12,0
CCOC(=O)COc1c(OC)cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC,1
COc1ccccc1NC(=S)NN=C(C)c1ccccn1,1
CC(O)(Cc1ccccn1)Cc1ccccn1,0
CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1
ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
CC(=O)c1c(C)c(C)c(C(C)=O)c(C)c1C,0
CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0
Cc1c(-c2ccccc2)c(-c2ccc(OCCN(C)C)cc2)n2ccccc12,1
CCN(CC)CC(O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12,1
Brc1ccc(-c2cc(-c3cccs3)cc(-c3ccccc3)n2)cc1,0
O=CC(c1ccccc1)c1ccccc1,0
Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
O=S(=O)(O)c1cc(Cl)ccc1Cl,0
O=c1[nH]c(O)c(-c2ccccc2)o1,0
Nc1nc(=O)c(N=Nc2ccc(SCC(=O)O)cc2)c(N)[nH]1,0
C#CCOC[C@@H](O)CCl,0
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C,0
CCOC(=O)N1CCN(C(=S)Nc2ccccc2)CC1,0
C=C(C)CN,0
O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1,1
CN(C)c1ccc(C(=O)n2cc(-c3ccc(Cl)cc3)c(N)n2)cc1,0
CCCCOc1ccccc1[N+](=O)[O-],0
CC(C)(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)N1CCN(c2ccccc2)CC1,1
Cc1cccc2c1c1ccc3c(c1n2C)C(=O)C=CC3=O,1
COC(=O)CCCCCCCCCCC(=O)c1ccccc1,0
CCCNCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,1
CC1(C)CC2=NC(=O)N[C@H](c3ccccc3)C2C(=O)O1,0
CC(C)CCNCCO,0
CN(CSc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1,1
CC(CN1C[C@H]2CC[C@H](CC2)C1)C(=O)c1cccs1.Cl,0
O=C1c2ccccc2C(=O)c2c(NC(=O)C(Cl)CCl)cccc21,1
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1,1
N=C(N)NN=Cc1ccc(F)cc1,0
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1ccccc1)CC2,1
Cc1[nH]n(-c2ccccc2)c(=O)c1CCC#N,0
CCC=C(CCC)C(C)(C#N)C(=O)OCC,0
Nc1ccc(CC2=NCCN2)cc1.O=S(=O)(O)O,0
Cc1ccc(N2CCN(C[C@H](O)COc3cccc(C)c3)CC2)cc1,0
N#CC(=Cc1ccc(O)c(O)c1)C(N)=O,0
COC(=O)/C=C1\Sc2ccc(Cl)cc2NC1=O,0
Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@](C)(C2)C3)cc1,0
C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O.[Cl-],0
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCN)OCO2,1
CCOP(=O)(OCC)C(C#N)=Cc1cccc([N+](=O)[O-])c1,0
O=[N+]([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1,0
O=c1cc(-c2ccccc2)[nH]c2cc(Cl)ccc12,1
COc1cc(Cn2c(=S)ss/c2=N\C(=S)N(C)C)cc(OC)c1OC,1
CN(C)C=NCCc1ccccc1,0
CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21.[Cl-],1
CC(C)(O)CCl,0
O=C(O)C(c1ccccc1)[C@@H](O)[C@@H]1CC=CCC1,0
NC(=O)C1(Nc2ccccc2Cl)CCCC1,0
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O,0
CC(=O)O[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl,0
COc1cc(C2c3cc4c(cc3C(NC(O)=NO)C3COC(=O)C23)OCO4)cc(OC)c1O.Cl,1
NC(=O)OCCO,0
CC[C@]1([N+](=O)[O-])CO[P@@](=O)(NCc2cccnc2)OC1,0
CN(C)CCCCN1c2ccccc2Sc2ccc(N=[N+]=[N-])cc21.O=C(O)C(=O)O,1
CCCCN(CCCC)C(=O)C(Cl)Cl,0
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2c1CCCC2,0
Cc1ccc(N=NC(C#N)C#N)c(C)c1,0
N#CSc1ncnc2[nH]cnc12,1
CCOP(=O)(NC1CCCCC1)OCC,0
O=S(=O)(NCc1ccccc1)c1ccccc1,0
COc1ccc(Nc2ncccc2C(=O)Nc2nc3ccc(OC)cc3s2)cc1,0
Cc1cc(O)c(C(C)C)cc1N=C1C=CC(=O)C=C1.[Na+],0
Nc1nc2ccc(Br)cc2s1,0
O=[N+]([O-])c1ccc(NN=Cc2ccccc2)nc1,0
O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1,0
Cc1ccc2ccccc2[n+]1C.[I-],0
COC(=O)c1nn2c(c1C(=O)OC)C[C@@H](c1ccccc1)N(S(=O)(=O)c1ccccc1)[C@@H]2C,0
Cl.N=C(N)SCc1ccc([N+](=O)[O-])cc1,0
Nc1ccncc1N,0
CC(C)COC(=O)N1CCCC[C@H]1C,0
COC(=O)Nc1csc2c1NC(=O)CCCC2,0
O=c1ccn(C2OC(CO)C(O)C2Cl)c(=O)[nH]1,0
CC1(C)C(=O)/C=C\C(=O)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=C\C1=O,1
CC[C@@H](C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0
O=C1Nc2ccc(Cl)cc2[C@]12Nc1ccccc1S2,0
Cc1nc(N)nc(N)c1CCCCc1ccc(N)cc1.O=S(=O)(O)O,1
Cc1c2cc(Cl)c3ccccc3c2c[n+]2ccccc12.[O-][Cl+3]([O-])([O-])[O-],1
Cl.N=C(NC1CCCCC1)NC1CCCCC1,0
COC(=O)c1ccc(N2CCO[P@@]2(=O)Cl)cc1O,0
O=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Cl)cc2)cc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)n1,1
Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,1
CC(=NO)c1cccc(Nc2cc(-c3ccccc3)nc3c(O)cccc23)c1,1
COc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC,1
CC(=O)c1ccc(C)c(N)c1,0
N=c1ccc2c(c1)[nH]c1c3ccccc3[nH]c3cccc2c31,1
CCOC(=O)CC1(C)OCC(C)(C)CO1,0
CCN(C(C)=O)c1cnc(C=NNC(N)=S)c2ccccc12,1
Cc1ccc(C)c(C(=O)CC(C)C(=O)O)c1,0
CC1(C)CN1CCCCN1CC1(C)C,0
O=C1C=C(c2ccccc2)[C@](O)(c2ccccc2)C1,0
O=C(CC(=O)c1ccccc1N=C1Cc2ccccc2C(=O)C1=O)C(=O)N=C1C(=O)c2ccccc2C(=O)C1Cl,1
CN(C)CCC(/C=C/c1ccccc1)=N\Nc1ccc(Cl)c(Cl)c1.Cl,1
CC(=O)Oc1ccc(Br)cc1C(=O)O,0
CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H](O)Cc3cc4c(cc3[C@@H]21)OCO4.Cl,1
OCCN(CCO)c1ccccc1,0
O=C(O)c1cccc([N+](=O)[O-])c1,0
Cc1ccc(O)cc1C,0
CCCC1(CC(C)C)C(=O)NC(=S)NC1=O,0
CC(=O)c1cccc(NC(=O)C(=O)NNc2n[nH]c(=S)n2N)c1,1
CC(=O)C[C@H](C)[C@H]1CC[C@H](C)CC1,0
CC(C)(C)c1cc(CC2C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O,1
CCCC(CCc1ccccc1)C(=O)NC(N)=O,0
NC(=O)c1ccccc1Cl,0
O=[N+]([O-])c1cc(Cl)cc(Cl)c1O,0
CCCN(CCC)C(=O)SCC,0
CCNC1(C(N)=O)CCN(Cc2ccccc2)CC1,0
Cl.O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(NC(=O)c2ccc(C3=NCCCN3)cc2)cc1,0
CCOC(=O)COc1ccc(/C=C(\C)[N+](=O)[O-])c2ccccc12,0
CCOC(=O)c1c(C)n2c(=O)cc(C)c3c(OC(C)=O)c(OC(C)=O)cc1c32,1
COC(=O)C=C(SC=C(c1ccccc1)N1CCn2c(C(=O)c3ccccc3)c(C(=O)OC)c(C(=O)OC)c21)C(=O)OC,1
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,0
N=C1CC(=O)c2nc3ccccc3c3ccnc1c23,1
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2ccccc2s1,1
Oc1c(C(Nc2cccc3ccccc23)c2ccccc2)ccc2cccnc12,1
O=C1c2ccccc2C(=O)c2c1c1cc(O)ccc1n2Cc1ccc(Cl)cc1Cl,1
CCN(CC)c1ccc(/N=C2\C=CC(=O)C=C2NC(C)=O)cc1,0
Oc1cc(Br)ccc1C=Nc1ccc(N2CCCCC2)cc1,0
COc1cc(C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1OC,1
COc1ccc(C(=O)CC(C(=O)O)c2ccc3c(c2)OCO3)cc1OC,0
Br.O=c1c(O)cccn1CCCNCCCN(CCCn1cccc(O)c1=O)CCCn1cccc(O)c1=O,0
C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@H](C)[C@]6(OC[C@@]45C(=O)C[C@@]3(O)[C@]1(C)C8)OC(C)(C)[C@@H](C)[C@H]6O)O[C@@](C)(CO)C[C@@H]2O,1
COc1cc([C@H]2c3cc4c(c(O[C@H]5O[C@H]6CO[C@H](C)O[C@@H]6[C@H](O)[C@H]5O)c3C[C@H]3COC(=O)C32)OCO4)cc(OC)c1O,1
c1ncc2[nH]cnc2n1,0
O=C1CCC(c2ccccc2)CC1,0
C[C@@H](CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C.Cl,1
Clc1nc(Cl)c2ncn(-c3ccccc3)c2n1,1
CSc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,1
CC(C)(C)OC(=O)C1=C2CC(=O)C=C[C@]2(C)N(Cc2ccccc2)C1=N,1
O=C1CC2C(=O)N(Cc3ccccc3)C1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1,1
CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1[C@H]2O)OCO4,1
Cc1cccc(N2CCN(CC(O)COc3ccc4ccccc4c3)CC2)c1,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C)cccc12,1
Cc1ccc(-n2cnc3c(=O)[nH]cnc32)cc1,0
O=S1(=O)CC2(N3CCOCC3)CCCCC21,0
C[C@H](O)c1cccc([N+](=O)[O-])c1,0
O=C(c1ccccc1)C(Cc1ccccc1)N1CCOCC1,0
Cc1cccc(Nc2nnc(SCC(=O)N3CCC(C)CC3)s2)c1,0
Oc1oc(-c2ccccc2)c(O)c1-c1ccccc1,0
Cl.O=C(O)C1CCC(c2ccccc2)=N1,0
OCCCc1ccncc1,0
O=S(=O)(c1ccccc1)N1CCNc2ccccc21,0
CCOC(=O)c1ccc(N=NNCCF)cc1,0
CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1,0
Cl.NCCN=C(O)c1cccc2cc3ccccc3nc12,1
CCC[C@@H](C)C1CCC(=O)CC1,0
Oc1csc(=S)n1/N=C/c1cccc2ccccc12,0
CC=C(C)C(C#N)(CCCC)C(=O)OCC,0
Cc1cc(O)c(C(C)C)cc1NC(=S)Nc1cc(C(C)C)c(O)cc1C,0
CC1=Nc2ccccc2SC(c2c(Cl)cccc2Cl)C1,1
CCOC(=O)Cc1cnn(C)c1NC(=O)c1cc(C)ccc1NC(C)=O,0
O=c1[nH]nc(SCc2nc3ccccc3s2)n1C1CC1,0
CCNC(=O)ON=C1CCC2C3CC=C4CC(OC5CCCCO5)CCC4(C)C3CCC12C,1
O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,0
O=c1[nH]c2cc(Cl)ccc2o1,0
O=C(Nc1cccc(Cl)c1)Oc1cccc2c1CCC2,0
O=C(O)c1ccccc1C(=O)c1ccc(F)cc1,0
Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc3ccccc3c1O)SC(=N)N2,1
O=[N+]([O-])c1cc(Cl)c(Cl)c([N+](=O)[O-])c1Cl,1
Nc1c(Cl)cc(C=C2C=Cc3ccccc32)cc1Cl,0
CCCCOC(=O)c1ccc(C)cc1,0
N#CCCN(CCC#N)c1ccc([C@H](Sc2ccccc2)C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1,1
N#CSCC(=O)c1ccc(Cl)cc1,1
Cn1c(-c2ccccc2)cc(=O)n1-c1ccccc1,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](O)[C@@H]2C)OCO4)cc(OC)c1O,1
c1ccc2nc(N3CCCC3)c(N3CCCCC3)nc2c1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)c2ccccc12,1
COc1ccc(C(=S)N2CCN(c3cccc(C)c3)CC2)cc1,0
COc1ccccc1I,0
O=C1NC(=O)[C@](CCc2ccccc2)(c2ccccc2)N1,0
CCOC(=O)C(C=NC(=S)Nc1ccc(OCC)cc1)C(=O)OCC,0
Nc1nc(Sc2ccc([N+](=O)[O-])c3nonc23)c2[nH]cnc2n1,1
O=C(COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1)c1ccc(Cl)cc1,0
N#Cc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1,1
Fc1ccc(OCc2n[nH]c(=S)n2-c2ccccc2)cc1,0
CCC1(O)CC(OC2CC(N3CCOCC3)C(O)C(C)O2)C2=C(C(=O)c3c(c(O)c4c(O)cccc4c3O)C2=O)C1O.Cl,1
O=C1c2ccccc2C(=O)c2oc(Br)cc21,1
Cc1cccc(Cc2cccc(C)c2O)c1O,0
CC(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-],1
CCC1(CC)COC(c2ccccc2)OC1,0
O=C(O)Cc1sc(=O)[nH]c1O,0
COC(=O)C(NS(=O)(=O)N(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C,0
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Cl)c2[N+](=O)[O-],0
Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccccc1Cl,1
Nc1nc(CN2CCc3ccccc32)nc2ccccc12,0
Oc1cccc(N=Cc2ccccc2O)c1,0
O=C1OCCC/C1=C/c1ccc2c(c1)OCO2,0
COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)C(Br)[C@@H]12,1
Cn1c(N)nc2[nH]cnc2c1=S,0
Cc1cc(C(=O)O)ccc1[N+](=O)[O-],0
CC(=O)Oc1ccc(Cc2ccccc2)cc1,0
[O-][n+]1c2ccccc2[n+]([O-])c2cc(Cl)ccc21,1
CCOC(=O)c1[nH]cc(C)c1-c1ccc2c(-c3ccccc3)nc3ccccc3n12,1
CCOC(=O)c1c(N)ssc1=S,0
Fc1ccccc1Cc1ccccc1,0
CN(C)N=C1CN(c2ccccc2)N=CC1[N+](=O)[O-],1
CC[C@@]1(C(=O)N=C(Nc2ccccc2)Nc2ccccc2)CCOC1=O,0
COc1ccc(NC(=S)N=Nc2c(O)[nH]c3ccccc23)cc1,1
C[n+]1c2ccccc2nc2c(N)cc(N)cc21.[Cl-],1
Nc1cc2c(cc1Br)-c1ccc(F)cc1[C@@H]2O,0
Nc1nc2cc(Cl)ccc2[nH]1,0
O=c1[nH][nH]c2c(Cl)cccc12,0
N=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21,1
COc1cccc(-c2cc(=O)c3cc(OC)ccc3[nH]2)c1,1
CC(=NCC(=O)[O-])c1ccccc1[O-].CCCC[Sn+2]CCCC,1
CC(=O)Oc1cc(Cl)c(OC(C)=O)c2c(OC(C)=O)c(C)c(O[Si](C)(C)C(C)(C)C)cc12,1
O=[N+]([O-])c1nc2ccccc2[nH]1,0
COc1ccc(/C(=N/Nc2ccc([N+](=O)[O-])cc2)Sc2cc(Cl)c(C)cc2S(N)(=O)=O)cc1,1
Nc1cc[nH]c(=O)n1,0
Cc1ccc2c(=O)cc(-c3cc(C)sc3C)[nH]c2n1,1
CNc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1,1
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1C(F)(F)F,1
NNc1nnc(-c2ccccc2)nc1Cc1ccccc1,1
FC(F)(F)C(Cl)Br,0
Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(N)nc3=O)cc2)c1C,0
O=C1C(CO)=C(CO)C(=O)c2c(O)ccc(O)c21,1
Br.N=C(N)SCCCN,1
COc1ccc(/C=C2\CN(C)C[C@H]3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1,1
S=C=Nc1cccc(Cl)c1,0
O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,0
CCCC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ccccn1,1
C=C1CC[C@@H]2[C@@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1/C=C/C1=CCOC1=O,0
CC(=O)O.Cc1nc2c(o1)C(=O)c1ccccc1/C2=N/[C@@H]1CCCC[C@H]1N,1
COc1ccc(/C=C2/CCC(CN(C)C)C2=O)cc1.Cl,1
CN(C)c1ccccc1,0
Cc1cc(=O)c2c(C)cccc2[nH]1,0
COc1ccc2cc(CNCCCCCCCCNCc3ccc4cc(OC)ccc4c3)ccc2c1,1
O=C(Nc1ccc(Cl)cn1)C1(c2ccccc2)CCCCC1,0
CC(NNC(=S)N1CCCCCC1)c1ccc2ccccc2n1,1
CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]([Se]c3ccccc3)[C@H]2O[Si](C(C)C)(C(C)C)O1,1
CC(C)c1nc(Cl)nc(Cl)c1Cl,1
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)N=CN4CCN(C)C.Cl,1
OCCN1CCN(C[C@H]2NCCC[C@H]2O)CC1,0
O=C1c2ccsc2-c2cccc3cccc1c23.O=C1c2sccc2-c2cccc3cccc1c23,1
Cn1c(=O)c2[nH]c(SCCN3CCCCC3)nc2n(C)c1=S,0
Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2)cc1,0
CN1C(=O)c2ccc(NC(=O)COc3cccc4ccccc34)cc2C1=O,0
O=C(CC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1,1
C=c1ccc2c(-c3c(=C)c(O)c(O)c4cc(=C)ccc34)c(=C)c(O)c(O)c2c1,1
COc1ccc(/C=C(\C(=O)O)c2ccc(OC)cc2)cc1,0
O=C1Nc2ccccc2SC1c1ccccc1,0
S=C1NC2(CCCCC2)NC12CCCCC2,0
CCCCC(C)NC(=O)c1ccccc1,0
CC(C)c1ccc([C@H]2OC[C@](C)([N+](=O)[O-])CO2)cc1,0
Cc1ccc(-c2c(C#N)[n+]([O-])c3cc(F)c(F)cc3[n+]2[O-])cc1,1
COc1ccc(-c2c(C)c(C(=O)O)nc(C3C=Cc4c(O)c(OC)c(N)c(O)c4N3)c2N)c(O)c1OC,1
c1ccc2c(c1)nnn2-c1ccncc1,0
Cc1c(O)c(=O)ccn1CCc1c[nH]c2ccccc12,1
O=C1CCn2c1c(O)c1ccccc1c2=O,0
COc1cc2c(cc1OCCCOc1ccc(-c3cc4ccccc4c4ccccc34)cc1)N=CC1CCCN1C2=O,1
C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1,0
O=C(O)C(c1ccccc1)[C@@H](O)C1CCCC1,0
CCn1nccc1NC(=O)C(=O)c1c[nH]c2cccc(OC)c12,0
Cc1ccc(C)c([C@@H]2NC(=O)c3ccccc3N2)c1,1
CCC(=CCC(C)=O)CC,0
N#C[C@@H]1C=Cc2c(ccc3ccccc23)N1C(=O)c1ccccc1,1
COc1cc([C@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)C23)OCO4)cc(OC)c1OC(C)=O,1
C[N+]12CN3CN(CN(C3)C1)C2.[I-],0
Cc1cccc(C(=O)O)c1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Br,1
CC1C=C(CO)C(=O)O1,0
COc1cc2c(cc1OCCCN1CCN(CCCOc3cc4c(cc3OC)C(=O)N3CCCC3C=N4)CC1)C=CC(C)(C)O2,1
Cc1ccc(Cc2ccccc2C(=O)O)cc1,0
O=NNc1cccnc1.[Na+],0
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c1.CCS(=O)(=O)O,1
COc1ccc2[nH]cc([C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3NCc3cccc(CN[C@H]4[C@H]5CC[C@H](C5)[C@@H]4c4c[nH]c5ccc(OC)cc45)c3)c2c1,1
O=C(Nc1c(O)c(Cl)c(NC(=O)C2CCCCC2)c(O)c1Cl)C1=CCCCC1,0
Cc1ccc(C(=O)c2sc3[nH]c(=O)c(C(=O)O)cc3c2N)cc1,0
CCCCCCCN(CCCCCCC)C(C)C(O)c1ccc2cc(Br)c3ccccc3c2c1,0
BrCC(Br)(CBr)CBr,0
CC[C@H](C)[C@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)[C@@H](C)OC(=O)C2Cc3ccccc3CN2C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@@H]1O,1
CCC[n+]1cc2cc3c(cc2c2c1-c1cc4c(cc1C2)OCO4)OCO3.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1
COc1ccc(Cl)c(C(C)=O)c1,0
CCOC(=O)Nc1cc(Cl)ccc1Cl,0
N#CC(c1cc(Br)c(N=O)cc1Cl)c1cccc2ccccc12,1
CCOC(=O)c1c(C)c(-c2ccccc2)n2c(=O)n(-c3ccccc3)nnc12,1
Cc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3ccccc3O)c2O)c(C)c1,1
CN(C)C(C(N)=O)c1ccccc1,0
O=C(NCCCCCC(O)=NO)c1ccc(Cl)cc1,1
CC(=O)OC(C)(C)C#CC(C)(C)OC(C)=O,0
CC(C)(C)C(=O)C(=O)C(C)(C)C,0
CC[C@@H]1CN1P(=O)(Oc1ccc(Cl)cc1)N1C[C@H]1CC,0
Nc1ccc(N(CCCl)CCCl)cc1,1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc(=O)c1O,1
Cn1cnc([N+](=O)[O-])c1[Se]c1ncnc2[nH]cnc12,1
Oc1cccc(N2CCN(c3cccc(O)c3)CC2)c1,0
CCC(=O)c1ccc([N+](=O)[O-])cc1,0
CCOC(=O)c1ccc(Nc2sc(C(=O)c3cccc([N+](=O)[O-])c3)c(N)c2C#N)cc1,1
CCN(C(=O)CCl)C(C)(C)C(SSSC(c1ccc(Cl)cc1)C(C)(C)N(CC)C(=O)CCl)c1ccc(Cl)cc1,1
CC=CC=CC(=O)OCCC,0
O=c1oc(-c2ccccc2)c(-c2ccccc2)c2ccccc12,0
CCCCCCCCSC1=CC(=O)C(OC)=C(OC)C1=O,1
O=NNc1nc(-c2ccccn2)nc2ccccc12.[Na+],1
C=C1CC2(C[C@@H](c3ccccc3Cl)O[C@H](c3ccccc3Cl)C2)OC1=O,1
CC(=NNC(=S)N1CCC1)c1ccccn1,1
Cl.N=C(N)N/N=C/c1c(-c2ccc(Cl)c(Cl)c2Cl)nc2sccn12,1
O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1.[NH-]C1CCCCC1N.[Pt+4],1
O=C1C(CO)[C@H](CO)[C@@H](CO)C1CO,0
COc1nc(=O)n([C@@H]2CCCO2)cc1C,0
CC(C)OCCCNc1nc(Cl)nc2c1cnn2C,0
CN(Cc1cc(Br)cc(Br)c1O)Cc1cc(Br)cc(Br)c1O,1
CS(=O)(=O)O.O=c1c2ccccc2n2nnc3ccc(NCCCNCCNCCCN=c4ccc5n[nH]n6c7ccccc7c(=O)c4c56)c1c32,1
CNc1ccccc1C(=O)OC,0
O=c1[nH]c(=O)n(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1F,1
CC(Cc1ccc(O)cc1)NCc1ccccc1,0
CCC(=Nc1c(Cl)c(O)c2c(O)ccc(O)c2c1O)C(=O)OC,1
Cc1c2nc3ccc(O)cc3c2c(C)c2ccc[nH]c12,1
IC(I)I,0
CC(C)(C)OC(=O)CN1C(=O)c2ccccc2C1=O,0
CC(C)(O)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1,0
CN(C)C(=S)N=c1ssc(=S)n1Cc1ccccc1,1
CCN(Cc1ccc(S(=O)(=O)O)cc1)c1ccccc1,0
C1=Nc2c3c(ccc2=CC1)=CCC=N3.Cl.Cl.Cl.Cl.Cl.[Nb+6],1
CC(=O)O[C@@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1,1
CC(=O)Nc1ccc(-c2csc(Nc3cccc(-c4csc(C)n4)c3)n2)cc1,1
Nc1ncnc2nn([C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)nc12,1
Cc1ccccc1NC(=O)c1cc2ccccc2cc1O,1
CC(=O)OC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC1C.CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)OC(C)C1O,1
CC(=O)Nc1ccc(/C=C/[N+](=O)[O-])cc1,1
Cc1ccc(O)c(C(C)(C)c2ccccc2)c1,0
Cc1ccccc1S(N)(=O)=O,0
O=C(NC(=S)N1CCCC1)c1ccccc1,0
O=C1NCC(Nc2ccccc2)C(=O)N1,0
Clc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1Cl,1
O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1,1
COc1ccc(CC2C(=O)O[C@@H](C)C(NC(=O)c3ccc(C)c4c3N=c3c(c(C)c(O)c(N)c3=C(O)N=C3C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(Cc5ccc(OC)cc5)C(=O)O[C@@H]3C)O4)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N2C)cc1,1
Nc1cc(Br)cc(Br)c1,0
CCOC(=O)/C=C(/C(=O)OCC)n1ccc(=O)[nH]c1=O,1
CN(C)CC1CCCC(=Cc2ccc(Cl)c(Cl)c2)C1=O.Cl,1
[O-][n+]1nc2ccccc2c2ccccc21,0
BrC1C2CCC(C2)C1Br,0
Clc1ccc2nnnn2n1,1
CC(C)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
CN(C)c1ccc([C@@H]2SCC(=O)N2c2nnc(Cn3cnnc3)o2)cc1,0
C=C(Cl)[C@@](Cl)(CBr)CC[C@H](Br)C(C)(C)Br,1
Cc1c2ccncc2c(C)c2c1sc1ccccc12,1
COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.O=C(O)/C=C/C(=O)O,0
COc1ccc2c(c1)CCC1=CC3(CCC12C)SCCS3,1
COCCOCn1c(NN(C)C)c(C(N)=O)c2c(N)ncnc21,0
CCCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1.[I-],1
CCCC[C@@]1(C2CCCC2)NC(=O)NC1=O,0
O=C1N=C(NCc2ccccc2)NC1(c1ccccc1)c1ccccc1,0
C[C@@H]1C[C@H](C)C[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H]2CCCC2C(=O)O)C/C=C/C=C(\C#N)[C@@H](O)[C@H](C)C1,1
O=[N+]([O-])c1ccc(Br)c(Br)c1,0
C=COCCCCOC=C,0
O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1,0
CC(=O)NCCSC(=O)c1ccccc1,1
Cl.O=C1C(Cl)=C(N2CCNCC2)C(=O)c2c(O)ccc(O)c21,1
O=C1C=C(Cl)C(=O)C=C1Cl,0
CCCCNC(=O)n1ncc2ccc([N+](=O)[O-])cc21,0
CCOC(=O)COC1=Nc2cc(OC)c(OC)c3nc(Cl)cc(c23)C1=O,1
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.CCCN(CCC)C(c1ccccc1)c1ccccc1,0
O=C1CCC2=C3C4CCCCC4C(=O)C4CCCC(OC2C1)C34,1
CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c2c1cc1oc(=O)c(=O)n3c(=Cc4ccccc4)[nH]c2c13,1
Nc1ccccn1,0
O=C(/C=C/c1ccccc1)COC(=O)c1ccccc1,0
CCSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0
COc1ccc([C@H](C)Nc2cc(OC)c(OC)c(OC)c2)cc1,1
S=c1[nH]c2ccccc2c2ccccc12,0
COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)cc(OC)c1O,1
O=C1NC(CCO)C(=O)NC1CCO,0
CC1=CC(=O)C(C#N)C(C)(C)C1(C#N)C(=O)O,0
C[C@H]([C@H]1CC=C2[C@@H]3CCC4=C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C,1
Cl.Nc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1,0
C=C1C[C@]2(CCC[C@]3(CC(=C)C(=O)O3)C2(C)C)OC1=O,1
ClCc1ccc(Oc2ccc(CCl)cc2)cc1,0
O=C(c1ccccc1)c1ccc2nc3n(c2c1)[C@H](c1c(Cl)cccc1Cl)SC3,1
CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O,1
Oc1cc(Br)cc2cc(Br)cnc12,1
CC(C)(C)OC(=O)N1CC(CCl)c2ccc(O)cc21,1
COc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1,0
CN(C)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,1
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(NC(=O)CCC(=O)O)cc2)CC1,0
c1ccc2cc3c(cc2c1)OP1(Oc2cccc4cccnc24)(O3)Oc2cc3ccccc3cc2O1,1
O=C1OC(c2cccs2)Sc2ccccc21,0
CSc1cnn(CCC#N)c(=O)n1,0
O=C(NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1,1
COCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)C(=NC(C)=O)C1=O,1
CCOC(=O)Cc1cc(=O)c2cc(C)ccc2[nH]1,0
CC(C)CCC/C(CBr)=C(\Cl)CCl,1
CN(C)CCNC(=O)c1cccc2cc3c(Cl)cccc3nc12.Cl,1
COC(=O)C[C@@H]1[C@]2(C)C(=O)C=C[C@]3(C)C(=O)O[C@@H]([C@H]23)[C@@H]2O[C@H]3C[C@@H](c4ccoc4)C(C)=C3[C@@]12C,1
CCOC(=O)c1c(NC(=S)NC)sc2c1CCCC2,0
Cc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23,1
CCN(CC)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,1
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)c(Cl)c1,1
COc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC)c(O)c2)cc1O,0
Cc1cccc(N2CCN(C[C@H](O)COc3ccccc3)CC2)c1,0
N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCN2CCCC2)n1-c1ccccc1,1
COc1cccc(-c2cc(-c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc5ccc(Cl)cc5)n4)cc3)nc(N)c2C#N)c1,1
CCOc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12.Cl,1
CCNCc1ccccc1,0
CC(=NCC(=O)[O-])c1ccccc1[O-].CCCC[Sn+2]CCCC,1
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1,0
c1ccc2c(NCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1,1
CCOc1ccccc1NC(=O)C(C#N)=C1C(=O)c2ccccc2C(=O)C1Cl,1
COC(=O)N(C)[N+](=O)[O-],0
Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1,1
CC(C)(C)c1cc(Br)c(O)c(Br)c1,0
Cn1c(=O)c2c(nc([C@@H](O)c3ccccc3)n2C)n(C)c1=O,0
O=C(c1ccccc1)c1nc2c(Cl)ccc(Cl)c2cc1C(Br)Br,1
Cc1ccc(S(=O)(=O)O)cc1,0
CCOC(=O)c1cc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)c([N+](=O)[O-])n1C,1
O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2)cc1,0
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(OC)cccc12.CS(=O)(=O)O,1
Cc1ccc(S(=O)(=O)O)c(C)c1Br,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(CO)cc3nc2-1,1
CC1(C)COC(=S)N1CCC#N,0
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3[nH]c4ccc([N+](=O)[O-])cc4c(=O)c23)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12,1
Nc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1,1
CCC=CC1CCC(CN(C)C)C1=O.Cl,1
Cl.O=c1c2ccccc2n2cnc3ccc(NCCNCCO)c1c32,1
COc1cc(C2c3cc4c(cc3C(NC(=O)c3ccc(OC(C)=O)cc3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC=O)c2cc1C,0
CNS(=O)(=O)c1ccc(C)cc1,0
C=C(C)[C@H]1CC/C(C)=C/CC[C@]2(C)O[C@H]2CC/C(C=O)=C\[C@@H]1O,0
Nc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1.[Na+],0
C=CCC(OC(C)=O)c1cccc(OC)c1OC,0
ClCCN(CCCl)c1ccc(/C=N/Nc2ccnc3ccccc23)cc1,1
NS(=O)(=O)c1ccc(NC(=O)C(O)C(O)C(O)C(O)CO)cc1,0
CSc1ccc2c(cc1=O)[C@H](NC(=O)c1cc(O)c(OC(=O)O)c(O)c1)CCc1cc(O)c(O)c(O)c1-2,1
OC(CC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=NNc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(C)=O)C[C@@H]1O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@@H](O)[C@@H](C)O1)C3=O,1
Nc1ncnc2c1nc(Cl)n2[C@H]1O[C@H]2CO[P@@](=O)(O)O[C@@H]2[C@H]1O.[Na+],1
CCC(C)(C)c1ccc(OCCOC(C)=O)cc1,0
COc1ccc(OC)c2c1C(=O)CC2C,0
NC(=O)SCC(=O)Nc1cccc([N+](=O)[O-])c1,0
CC(C)c1ccc(C=NNC(N)=S)cc1,1
CC1CCC2C(CN3CCCCC3)C(=O)OC2C2(C)C(=O)CC(N3CCCCC3)C12O,1
COc1ccc(O)c(C(=O)CC(=O)c2cccnc2)c1,0
COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccccc3S2)cc1,1
C[N+](C)(C)CC(O)CC(=O)[O-],0
CCN(CC)C(=S)NN=C(c1ccccc1)c1ccccn1,1
CC1CC(=O)N(CCc2ccccc2)C(=O)C1,0
COc1cc(C=NN=C(N)N)cc(I)c1O,0
Cc1ccc(-c2cc(O)c(-c3ccc(C)cc3C)cc2O)c(C)c1,1
CCCCC#Cc1c(I)n([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)c(=O)n(C(=O)c2ccccc2)c1=O,1
CC1CC(=O)c2cc(-c3ccccc3)oc2C1,0
CC1CCC(SCc2ccccc2)CC1,0
CC=CC=Cc1cc2cc3c(c(O)c2c([O-])n1)C1(CC3)C(=O)C2=C(C(=O)c3c(O)c(OC)cc(O)c3C2=O)C1=O.[K+],1
O=[N+]([O-])c1ccc(/C=C(\c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1,1
COc1cc(CN2COCc3c(C(C)(C)C)nn(-c4ccccc4)c32)cc(OC)c1OC,0
CO[C@@H]1[C@@H](OC(=O)C(N)CCCCN)[C@H](O)[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)O[C@@H]1CO.Cl,1
Br.CCN(CC)CC(C)(C)C(=O)/C=C/c1ccc(C)cc1,1
COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3cc(F)c(F)cc3[n+]2[O-])cc1,1
O=C(O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1,0
CN(C)CCC(=O)c1ccc2ccccc2c1.Cl,0
CCCCCCCCCCCCCCOC(=O)CSC#N,0
O=c1[nH]cnc(CN2CCCCC2)c1O,0
CC(C)(C)c1ccc(OCC(=O)O)cc1,0
Cc1cc(C)cc(CCc2cc(C)cc(C)c2)c1,0
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12,1
COc1cc(C2c3cc4c(cc3OC(NC3CCCCC3)C2C)OCO4)cc(OC)c1OC,1
ON=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl,1
CCn1c(/C(C#N)=C/c2ccncc2)nc2ccccc21,0
Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1,0
CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,0
CC(C)COC(=O)COc1ccccc1,0
N#Cc1c(N)[nH]c2ccc(Sc3ccccc3)cc12,1
CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O,1
Cc1ccc(S(=O)(=O)NN=CC(=O)O)cc1,0
CC(C)N(Cc1ccc(CN(C(=O)CCl)C(C)C)cc1)C(=O)CCl,1
OC1C=CC2C3C=CC(C3)C12,0
NNCCC(=O)O,0
CCCN1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccc(OC)cc1,1
C[C@]12CC(CCCCCCNCCOC(=O)NCCCc3ccc(N(CCCl)CCCl)cc3)=C3C4=C(CCC3[C@@H]1CC[C@@H]2O)CC(=O)CC4,1
CCOC(=O)CC(=O)Cc1ccccc1,0
N#C[C@@H](NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)c1ccccc1,1
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=NO,0
O=C(O)C(c1ccccc1)[C@]1(O)C[C@H]2CC[C@@H]1C2,0
Cc1cn(C2CCCCC2)c(=O)[nH]c1=O,0
CCNC(=O)ON=C1C=C2CCC3C(CCC4(C)C(OC(=O)NCC)CCC34)C2(C)CC1,1
CCOC(=O)c1ccc(OCC)cc1O,0
COc1ccc(CCN=C2CCCC(=O)C2)cc1OC,0
CC(=O)N/N=C/c1ccc(N(C)C)cc1,0
Nc1cccc2c([As](=O)(O)O)cccc12,0
OC[C@H](O)[C@@H]1OCO[C@H]([C@@H](O)CO)[C@@H]1O,0
Cc1ccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)cc1,0
Cc1ccc(C(=O)CC(=O)C(=O)CC(=O)c2ccc(C)cc2C)c(C)c1,1
CCOC(=O)C(CCC1CCCCC1)C(C)=O,0
Oc1[nH]c2ccccc2c1N=NC(=S)N1CCCC1,1
COc1cc2c(C=C3C(=O)Nc4c3ccc3ccccc43)c(Cl)n(C)c2cc1C,1
Cn1[nH]c(=O)ccc1=O,0
COc1cc(C2c3cc4c(cc3C(NC(=O)c3cccc(N)c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
COc1cc2c(cc1O)C(=O)CCCC2,0
COc1ccc2c(c1)/C(=C\c1c(-c3ccccc3)nc3sccn13)C(=O)N2,1
O=S(=O)(O)NC1CCCCC1,0
O=S(=O)(F)c1ccc(I)cc1,0
O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(F)cc1,1
Cn1c(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=S,1
C=CCOC[C@@H]1CO1,0
Cc1cc(C)n(C(=CC(=O)C(Cl)Cl)n2nc(C)cc2C)n1,1
S=C(NN=Cc1cc(Cl)cc(Cl)c1)NC12CC3CC(CC(C3)C1)C2,1
O=C1/C(=C/c2cccc(O)c2)COc2ccccc21,1
CCN1C(=N)N(c2ccccc2)C(=O)C(CC)(CC)C1=O,0
Oc1ccc2ccccc2c1C=NNc1ccccn1,1
O=C(OC[C@@H]1CCC=CO1)C1CCC=CO1,0
COc1ccc2c(c1)C(=O)c1c-2n(CCCI)c(=O)c2cc([N+](=O)[O-])ccc12,1
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(C(=O)C=Cc6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,1
CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.[O-2],1
NS(=O)(=O)c1ccc(-n2ncc3c(SCCN4CCOCC4)ncnc32)cc1,0
C=c1[nH]n(C(=O)c2ccccc2O)c(=O)c1=Cc1c(O)ccc2ccccc12,1
ClCc1ccccc1Cn1cnc2c(Cl)ncnc21,1
CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC,0
O=C(O)c1c2c(nc3ccccc13)CCCC2,0
Cc1cc(C)nc(NC(=O)OC(C)C)c1,0
CCNC(=O)ON=C1CCC2C3CC=C4CC(OC(=O)NCC)CCC4(C)C3CCC12C,1
CS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1,0
CNC(=[Se])NC,0
Cc1ccc2cccc(CC(=O)NN)c2c1,0
OCC(CO)c1cnnc2ccccc12,0
CCCON=Cc1cccnc1,0
O=[N+]([O-])c1ccc2nc(NN=Cc3ccc(O)cc3)sc2c1,1
Nc1cc2nc3ccccc3sc-2cc1=O,1
Cc1ccc(C(=O)NC2C(=O)NC(Cc3ccccc3)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]2C)c2c1Oc1c(C)c(O)c(N)c(=C(O)N=C3C(=O)NC(Cc4ccccc4)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@H]3C)c1=N2,1
CCC[C@@H](C)/C=N/N=C(N)N.Cc1cc(O)c(C(C)C)cc1S(=O)(=O)O,0
CCOP(=O)(CC=Cc1ccccc1)OCC,0
COc1ccc2c(Cc3c4ccccc4cc4ccccc34)cncc2c1O,1
C[C@@H]1CC[C@H]2C(CN3CCN(CC4=C(C(F)(F)F)O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)CC3)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4,1
C[C@]12CC(C=O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12,0
CC(=O)c1ccc(Br)s1,0
COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccccc3S2)cc1,1
COc1cc(C2c3cc4c(cc3C(Nc3cccc([N+](=O)[O-])c3)C3COC(=O)C23)OCO4)cc(OC)c1O,1
O=C1Nc2ccccc2Oc2ccccc21,0
COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1O,1
C[Si](C)(C)C1=C([Si](C)(C)C)C(Cl)(Cl)C1=O,1
CC(C)C(C(N)=O)c1ccccc1,0
O=C1C(=Cc2ccc(O)c(O)c2)CC=C1Cc1ccc(O)c(O)c1,1
Cc1ccn2ccnc2c1,0
Fc1cccc(CSc2ncnc3[nH]cnc23)c1,0
C[C@]12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=O)CC3C1CC[C@@H]2O,1
Cc1cc2nc(-c3ccccc3O)[nH]c2cc1C,0
COc1ccc(C(=O)COc2ccc(C(C)=O)cc2OC)cc1OC,0
O=C1C(Cl)=C(N(CCCl)CCCl)C(=O)c2c(O)ccc(O)c21,1
Cl.O=C1C(CN2CCCC2)CCCC1CN1CCCC1,1
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C,0
CCOC(=O)/C=C/c1nc(=O)c(C)c(C(=O)OCC)[nH]1,0
Fc1ccc(-c2cc(-c3cccs3)cc(-c3ccccc3)n2)cc1,0
CC[Sn](Cl)(CC)CC,1
CCCC[Sn+2]CCCC.Nc1ccn(C2OC(CO)C([O-])C2[O-])c(=O)n1,1
CC(=O)OC1=C2C(C)[C@H](OC(=O)C(O)C(NC(=O)OC(C)(C)C)c3ccco3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C,1
Cc1cccc(N2CCN(CC(O)COc3ccccc3)CC2)c1,0
O=C1c2c(F)c(F)c(F)c(F)c2SC2=NCCN12,1
CC(=O)N/N=C1\C[C@@H]2CC[C@@]1(C)C2(C)C,0
O=C(O)C1[C@H]2c3ccccc3[C@H](O)[C@]1(C(=O)O)c1ccccc12,0
CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(OC)cc2[n+]1[O-],1
CCOC(=O)c1c2ccncc2n2c(=O)n(-c3cccc(OC)c3)nnc12,0
CC[C@@H]1CN1P(=O)(N1CCCC1)N1C[C@H]1CC,0
CN(C)CCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,1
N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccccc1,0
CCOC(=O)C1CCCNC1,0
COc1cccc(NC(=S)Nc2ccc(O)cc2)c1,0
CC(=O)[O-].CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1,1
c1ccc2c(-c3nc4ccccc4[nH]3)cccc2c1,1
CN(C)c1ccc(/C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.Cl.[Cl-],1
CC(C)Cc1ccc(C(C)C(=O)O)cc1,0
CC(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](O)C[C@H](O[C@H]3[C@H](O)C[C@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@@H](O)C[C@@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,1
CC1(C)OC(C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)C(C(=O)N2CCCCC2)O1,1
O=C(NNCc1ccccc1)c1ccccn1,0
CCC(CCCCc1ccccc1)(C(=O)O)C(=O)O,0
O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F,1
CC(=O)c1ccc(N2CCN(C3=C(Cl)C(=O)c4c(O)ccc(O)c4C3=O)CC2)cc1,1
CCC[N+](CCC)(CCC)Cc1ccccc1.[Br-],0
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[Na+],1
COC(=O)c1c[nH]c2c1-c1cc(C(=O)OCc3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)c1C(=O)C2=O,1
O=c1cc(/N=N/c2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]1,1
COc1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1,1
CC1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1,0
COc1ccc(-c2[nH]c3ccc(OC)cc3c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1,1
CCOC(=O)CCC(=O)Oc1ccc2c(c1)C(=O)c1ccc(OC(=O)CCC(=O)OCC)cc1C2=O,0
CN(CCCl)CCCl,1
CCCN(CCC)C(=S)NN=C(C)c1ccccc1O,1
COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(OC)c(OC)cc12.Cl,1
CC(=O)[O-].Cc1cc(C)c(C)c([Hg+])c1C,1
CC(=O)CC(=O)Nc1ccccc1Cl,0
O=[N+]([O-])c1ccc(Sc2ccncn2)c([N+](=O)[O-])c1,1
CO[C@H]1OC[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1,0
O=C(NN=Cc1ccccc1O)C(O)(c1ccccc1)c1ccccc1,1
Fc1ccc(CSc2ncnc3[nH]cnc23)cc1,0
C1CN(c2nc(N3CCOCC3)c3[nH]c(N4CCOCC4)nc3n2)CCO1,0
CC#CS(=O)(=O)c1ccccc1,1
CC(=O)COc1ccccc1NC(C)=O,0
CCCCNC(=O)/C=C\C(=O)O,0
CC(N)COc1ccccc1,0
Clc1nc(Cl)nc(Nc2ccccc2Cl)n1,0
O[C@H]1CCCN(Cc2ccccc2)C1,0
CC1CC[PH](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21,1
O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](n2c(=O)oc3ccc(F)cc32)OC[C@@H]1OC(=O)c1ccccc1)c1ccccc1,0
CC1OC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O,1
CCCCCC(=O)N1CCCCC1,0
COc1ccc(C(COc2c(-c3ccccc3)oc3ccccc3c2=O)=NO)cc1,1
CCCCCCCN1C(=O)[C@](O)(c2ccc([C@@]3(O)C(=O)N(CCCCCCC)c4ccccc43)s2)c2ccccc21,1
COc1cc(OC)c(/C=C\c2cc(/C=C/c3c(OC)cc(OC)cc3OC)c3ccccc3[n+]2C)c(OC)c1.[I-],1
O=C(COc1cc(Cl)c(Cl)cc1Cl)OCCOc1cc(Cl)c(Cl)cc1Cl,0
C=CCOc1c(Cl)cc(Cl)cc1Cl,0
FC(F)(F)c1ccc(-c2nn[nH]n2)cc1,0
CCCCOC(=O)C(N)Cc1ccc(OC)cc1,0
COC(=O)C1C(=O)C(C(=O)OC)[C@]2(O)C(C(=O)OC)[C@H]1C[C@@H](c1ccccc1C(F)(F)F)C2C(=O)OC,1
COc1ccc(Cn2cc3c(c2)-c2oncc2CC3)cc1,1
Cc1ccccc1OC[C@@H](O)CN1CCCCC1,0
Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl,1
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)c2ccccc12,1
CCOC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12,0
COC(=O)CCN(C(=O)OC)c1ccccc1,0
O=c1oc2ccccc2c(Cl)c1Cl,1
O=c1cc(-c2ccccc2)[nH]c2c1CCCC2,1
Cl.Cn1/c(=N/N=C(N)N)ccc2ccccc21,0
COc1cc2c(cc1OCCCN1CCN(c3cc(=O)oc4c(C)c(OC)ccc34)CC1)N=CC1CCCN1C2=O,1
Cl[C@@H]1c2cccc3cccc(c23)[C@@H]1Cl,0
O=C(NNCc1ccccc1)c1ccccc1,0
COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2ccccc12.Cl,1
CCc1ccccc1Cc1ccccc1,0
O=C(O)CNC(=O)Cc1cccc2ccccc12,0
Cc1c(-c2ccccc2Br)nc2ccccc2c1C(=O)O,0
O=Nc1ccc(NO)cc1,0
CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc(CN(CC)CC)c1O.Cl,1
NC(=O)N/N=C1\C[C@@H]2C[C@H]1[C@H]1C=CC[C@@H]21,0
CCCCCCCCCCCC[C@H]1CCCC=CCCC(=O)O1,0
CNC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
CCc1sc(NS(=O)(=O)c2ccc(N)cc2)nc1O,0
CCc1cn2c(/C=N/N=C(N)N)c(-c3cc(C)c(Cl)cc3Cl)nc2s1.Cl,1
COc1ccc2oc(-c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1.Cl,1
CC(C)COC(=O)c1ccccc1C(=O)OC1CCCCC1,0
CCC(C(=O)O)=C1CCCCC1,0
CC(C)[C@@H](Cl)CC/C(CBr)=C(\Cl)CCl,1
COc1cc(C(=O)O)ccc1O,0
O=C(O)c1ccc(NN=Cc2cc(=O)[nH]c(=O)[nH]2)cc1,0
Nc1oc(-c2ccccc2)c(O)c1O,0
COC(=O)c1ccc2c(c1)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2,1
Nc1ncnc(N2CCOCC2)n1,0
CN(N=Nc1ccccc1C(=O)O)C1CCCCC1,0
Cc1ccc(S(=O)(=O)OCC#CCOS(=O)(=O)c2ccc(C)cc2)cc1,1
ClC1=C2C=CC=CC2C(Cl)(c2ccccc2)C2C1=C(Cl)c1ccccc1C2(Cl)c1ccccc1,0
Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1C,0
COC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1,1
O=C1c2ccccc2S(=O)(=O)N1CCCN1C(=O)c2ccccc2S1(=O)=O,0
CCCCCCOC(N)=O,0
N#Cc1ccc(/C=N/N2CCCCCC2)cc1,0
COC(=O)c1ccc(N)cc1C(=O)OC,0
CN1CSC(=S)N(c2c3ccccc3nc3ccc(Br)cc23)C1,1
CCN(CC)CC(OC(=O)c1ccc([N+](=O)[O-])cc1)C(COC)OC,0
O=[N+]([O-])c1cc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc([N+](=O)[O-])c1,0
OCC(Br)=C(Br)CO,0
CC(=O)Nc1ccc([As](=O)(O)O)cc1,0
COc1ccccc1C=CC(=O)C=Cc1ccccc1OC,1
O=C(O)c1cc(N2C(=O)C=CC2=O)cc(N2C(=O)C=CC2=O)c1,0
Clc1ccc2ns[s+]c2c1.[Cl-],1
C(#CCN1CCOCC1)CCCN1CCOCC1,0
Nc1n[nH]c(Nc2ccccc2)n1,0
CCCCC=CC(=O)Nc1c(O)c(N2CC2)c(NC(=O)CCCCCC)c(O)c1N1CC1,1
COc1cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC,0
C/C(Cc1ccccc1)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,0
Br.COc1cc(NCCCCCN)c2ncccc2c1,0
CCOP(=O)(CC(=O)c1ccccc1)OCC,0
O=C(CCl)OCCCOCCCOc1ccccc1,0
Cc1cc(S(=O)(=O)O)ccc1O.[K+],0
CC1(C)C[C@@H]2C=C(C=O)[C@@]3(C=O)C[C@@]3(C)[C@H]2C1,1
CC(=O)Nc1cc2c3ccccc3ccc2c2ccccc12,0
N#C[C@@]12CC3=C(N=C1NC1=C(CCc4ccccc41)C2)c1ccccc1CC3,1
N#CC(=C1SCS1)[N+](=O)[O-],1
CCN(CC)CC[S@@+]([O-])c1c2cc(OC)ccc2nc2ccc(OC)cc12,1
COc1cccc(-c2cn3cc(Cl)sc3n2)c1,0
O=c1c(C(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12,1
Nc1ccc2c3c(cccc13)C(=O)OC2=O,0
Cc1cnc(Cl)nc1N1c2ccncc2Sc2ccncc21,0
COc1ccc2nc3ccccc3c(NCCCCCN(CCCl)CCCl)c2c1.Cl,1
N=c1n(CC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c2ccccc2n1CC(=O)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,1
Cn1c(N2CCOCC2)nc(-c2ccccc2)c(C#N)c1=O,0
CC(=NNC(=O)c1cccnc1)c1cccc(C(C)=NNC(=O)c2cccnc2)n1,1
CCOP(=O)(CCC[C@H](O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC,1
O=c1c2ccccc2ncn1-c1ccc(Cl)cc1,0
Cc1ccc2c(=O)cc(-c3sccc3C)[nH]c2n1,1
NCC1CCC(CN)CC1,0
COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccc([N+](=O)[O-])cc1C3=O.Cl,1
CC1=NC(=Cc2cccc(C#N)c2)C(=O)O1,0
CC(C)N(C)C1=CC(=O)C(N(C)C(C)C)=CC1=O,0
COc1cc2c3c(n(CCCI)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,1
CC1=C2CC(=O)CC[C@]2(C)[C@@H]2[C@@H](C1)[C@@H]1CC[C@H](O)[C@@]1(C)C[C@@H]2O,0
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCCN=C(N)N)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1.Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[SH](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1,1
O=C(OC1CCCC1)c1ccccc1Cl,0
CC1CC=CCC1(CO)CO,0
CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1,0
S=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2-n2cccc2[C@@H]1c1cccnc1,0
Nc1ncc(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,1
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCCC4)c3)c2c1,1
Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1Cl,1
O=C(C[C@@](O)(c1ccccc1)c1ccc(Cl)cc1)NC(=O)c1ccccc1O,1
CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1,1
CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)NN=Cc3ccc(O)cc3O)[nH]c(=O)c12,1
CCn1c2ccccc2c2cc(NC(=O)c3ccccc3-c3ccccc3C(=O)O)ccc21,0
CC(=O)C1=C(C)N(C)[C@@]2(O)C=CC(=O)C3C(=O)c4ccccc4C(=O)[C@@]132,1
O=C(NCCNCCO)c1ccc2oc3cc4ccccc4c(=O)n3c2c1,1
C/C=C/C(OC(C)=O)OC(C)=O,0
COc1cccc(N2C(=O)CS[C@@H]2c2cccc(Oc3ccccc3)c2)c1,1
CCOC(=O)C(C)=NNC(N)=S,0
Nc1ncnc2c1nnn2C1C=CC(COS(N)(=O)=O)C1,1
CCCCCN(C)c1ncnc2[nH]ncc12.Cl,0
CC(=NNC(=S)Nc1ccccc1)c1ccccn1,1
N#C[C@@H](OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1,0
CCO[P@@]1(=O)CC(C)=C(Cl)[C@@H](P(=O)(OCc2ccccc2)OCc2ccccc2)C1,0
CC(C)=CC(=O)CC1C(=O)O[C@@H]2CC3C(C)CC(=O)C(=O)[C@]3(C)[C@H]3[C@@]4(O)OC[C@@]23C1[C@@H](C)[C@H]4O,1
N#CC(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1,0
Nc1nn2c(C(Br)Br)cc(C(Br)Br)nc2c1[N+](=O)[O-],1
Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(Cl)cc3)C2)c(C)c1Cl,1
CC1CC(=O)C(=O)[C@@]2(C)C1C[C@H]1OC(=O)C(OC(=O)C(C)(C)CO)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]13[C@H]42,1
O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CN2CCOCC2)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
CCOC(=O)CCCn1c(C)c(C)c2c1nc(SC)n1cc(O)nc21,0
O=CNCCO,0
CCCCNC(=O)C(Cl)Cl,0
OCCN(CCO)Cc1cc(O)c(CN(CCO)CCO)cc1O,0
CC(C=CC1=C(C)CCCC1(C)C)=CC=C(C(=O)O)C(C)=CC(=O)O,0
C=CCCC[C@@H](OC(=O)CCCCCCC)c1ccc([C@H](OC(=O)CCCCCCC)c2cccnc2)o1,0
O=c1cc(Cl)nc2ccccn12,0
O=P(O)(O)OCC1OC(n2cnc3c(NCc4ccco4)ncnc32)C(O)C1O,1
O=C1C(=NC2=CC(=Nc3c(Cl)c(O)c4ccccc4c3O)C=CC2=Nc2ccccc2)C(Cl)C(=O)c2ccccc21,1
Br.c1ccc2c(c1)C(=NNC1=NCCN1)c1nc3ccccc3nc1-2,1
CN(C)CCNC(=O)c1cccc2c1nc(-c1cccnc1)c1ccccc12.Cl,1
Cc1cc2nc3ccc(N=Nc4ccc(N(C)C)cc4)cc3n(-c3ccccc3)c-2cc1=N,1
c1ccc(C(=NNc2ccccn2)c2cccnn2)cc1,1
Cc1cc(C)c(C[N+](C)(C)C)c(C)c1.[I-],0
CCCCCC.COC(C)(C)C.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,1
CC(=O)O[C@@H]1C[C@H]2C=C[C@@H]1C2,0
CC1CNC(=S)N(c2ccc(F)cc2)C1=O,0
CO[C@@]12O[C@H]3C[C@]4(C)C(=C[C@@H]3O[C@@H](O[C@H](C)[C@H]1O)[C@H]2O)CC[C@H]1[C@H]4CC[C@@]2(C)[C@H](c3ccc(=O)oc3)CC[C@]12O,1
COc1cc(C2c3cc4c(cc3OC(NCc3ccccc3)C2C)OCO4)cc(OC)c1OC,1
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C,0
CCOC(=O)C1(C(=O)OCC)NC(=O)C[C@@H]1CC(C)C,0
N=C(N)N=C(N)NNC(=O)c1ccncc1,0
C[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccccc21.[Br-],1
C=C1CC(COc2ccc3ccc(=O)oc3c2)(c2ccccc2)OC1=O,1
Oc1ccccc1C=Nc1nc[nH]n1,0
CCCC(=O)C(CCN(C)C)c1ccccn1,0
O=C1OC(c2cc(I)c(O)c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21,0
O=C(O)c1ccccc1C(=O)Nc1ccccc1Cl,0
CCCCCC(C)(O)C(C(=O)O)c1ccccc1,0
Oc1csc(=S)n1N=Cc1c[nH]c2ccc(Br)cc12,0
CC(C)(C)C(=O)OCC1C(=O)OCC1C(=O)N1Cc2cc3ccccc3nc2C1,1
COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1.CS(=O)(=O)O.CS(=O)(=O)O,1
N#CC(=Cc1ccc(O)c(O)c1)c1c(C#N)c(N)nn1-c1ccccc1,1
O=C(O)c1cc(I)c(O)c(I)c1,0
CC(C)C(NC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCc1ccccc1)C(C)C.Cl,1
COC(=O)C1=c2cc3c(O)c4c5c(cc(O)c4c(O)c3c(O)c2=CC[C@]1(C)O)[C@@]1(C)O[C@@H](O5)[C@@H](O)[C@H](N(C)C)[C@@H]1O,1
COc1ccc(/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)O)cc1,0
C=CS(=O)(=O)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1,0
COc1cc(CCN=C2CC(=O)c3ncccc3C2=O)ccc1O,1
CCN(CCCl)c1ccc(NC(=O)c2cc(C(=O)NCCN(C)C)cc(C(=O)Nc3ccc(N(CC)CCCl)cc3)c2)cc1.Cl,1
CCOC(=O)c1cc(C#N)c2sc3ccccc3n2c1=O,0
CC(C)(CN1CCCCC1)C(C=Cc1ccccc1)=NNC(=O)NN=C(C=Cc1ccccc1)C(C)(C)CN1CCCCC1.Cl,1
NC(=O)c1ncn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1N,0
CN(C)C(=O)N(C)N=Cc1ccc([N+](=O)[O-])o1,0
O=C1C[C@H](c2ccc(Cl)cc2)C2(C(=O)NC(=O)NC2=O)[C@@H](c2ccc(Cl)cc2)C1,1
Cc1cc(OC(=O)CCl)ccc1C(C)(C)C,0
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,1
O=C(O)c1ccccc1-c1ccc([N+](=O)[O-])cc1Cl,0
Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1-c1nc2ccccc2o1,1
CC(=O)C1(O)C=C2C(=O)c3c(c(O)c4ccccc4c3O)C(=O)C2C(OC2OC(C)C(O)C(O)C2F)C1,1
O=[N+]([O-])c1cccc2c1Oc1ccccc1O2,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2C[C@@H](n3cc(F)c(=O)[nH]c3=O)O[C@@H]2CO)C(C)(C)CCC1,1
Nc1ccc(S(=O)(=O)c2ccc(N)c(Cl)c2)cc1,0
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O,1
c1ccc(SCCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1,1
C=C1N(C)c2ccc(Cl)cc2C1(C)C,1
Nc1ccn(-c2ccc(Br)cc2)c(=O)n1,0
NCC1CCN(c2nc3ccccc3c3c2CCCC3)CC1,1
CNc1cc(=O)[nH]c(=O)[nH]1,0
NCCO.S=c1[nH]c2ccccc2s1,0
O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc1,0
COC(=O)CC1S[C@@H](c2ccc(F)cc2)N(c2nnc(COc3ccc(F)cc3)s2)C1=O,0
CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1C,0
CN(C)c1cccc(/C=C(\C#N)c2ccccc2)c1,1
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1Nc1cccc(O)c1,0
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,0
CNC(=O)OCc1[nH]ccc2c(C)c3nc4ccc(OC)cc4c3cc12,1
Cc1cccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)c1,1
COc1ccc(OC)c(-c2nc3sccn3c2/C=C2/C(=O)Nc3ccccc32)c1,1
COC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O,0
Nc1ccc(O)c(O)c1,0
O=c1[nH]cncc1OCc1ccccc1,0
O=C(O)c1ccc2c(C(=O)O)cccc2c1,0
Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1,1
CC(C)(C)NC(=O)NC[C@H]1CCC[C@H]1NC(=O)NC(C)(C)C,0
O=c1c2cc(Cl)ccc2n2nnc3ccc(NCCNCCO)c1c32,1
Cc1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)s1,0
COc1ccccc1NC(=O)N(O)C1(C#N)CCCCC1,0
CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,1
CCN(CC)C[C@H](O)CNc1ccnc2cc(Cl)ccc12,0
N#CCCN(C(=O)Nc1ccccc1)C1CCCCC1,0
O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccccc1,0
O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,1
CC(C)(C)OC(=O)CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1,1
[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.c1ccc([Sn+2]c2ccccc2)cc1,1
CCN(CC)CCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12,1
C[C@H]1[C@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3,1
Cc1cc(C(C)(CC(C)C)c2ccc(O)c(C)c2)ccc1O,0
CCCCc1ccc(Nc2nnc(SCC(=O)NC(=O)NCC)s2)cc1,0
CC(=NC1CCCCC1)c1ccc(O)cc1O,0
CC(C)=CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@@H](C)N(C)C)CC[C@@H]34)[C@@]2(C)C[C@@H]1O,1
OCCN(Cc1cccnc1)Cc1ccccn1,0
Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,0
Cn1c(-c2c(N)n(Cc3ccc(Cl)cc3)c3nc(C#N)c(C#N)nc23)nc2ccccc21,1
CSCCc1[nH]c(O)c(C(C)=NNC(N)=O)c1O,0
COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1,1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(N)cc1c2CC[Si](C)(C)C,1
CC(=NCCN=C(C)c1ccccc1O)c1ccccc1O,0
c1coc(CSc2nc(SCc3ccco3)c3[nH]cnc3n2)c1,0
Cc1nc(-c2ccccc2)no1,0
CCOc1ccc(S(=O)(=O)/N=C2\C=C(SCC(=O)O)C(=O)c3ccccc32)cc1,1
S=C(Cc1ccccc1)Nc1ccccc1,0
N#Cc1c(N)nc(N2CCOCC2)c(C#N)c1-c1c(Cl)cccc1Cl,1
COc1ccc2nc(-c3ccccc3)cc(Nc3cccc(C(C)=O)c3)c2c1,1
N#CCCN1CCN(CCC#N)c2ccccc21,0
CC(=O)c1cccc(Nc2nc3ccccc3c3[nH]c4ccccc4c23)c1,1
Cc1cc2c(cc1C)N(C(=O)CCl)CCN2C(=O)CCl,1
CC(=O)OC1=N[C@H](C)c2c1cc(OC(C)=O)[nH]c2=O,0
Cc1ccc(OCCBr)cc1,0
Cc1cccc2nc3c(C(=O)NCCN(C)C)cccc3cc12.Cl,1
CCOC(=O)CN,0
S=c1[nH]cnc2c1ncn2[C@@H]1C=CCCC1,0
CN(C)CC[C@](O)(Cc1ccccc1)c1ccccc1.Cl,0
c1ccc2c(NCCCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1,1
O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3cc([N+](=O)[O-])ccc3-c3c1cc([N+](=O)[O-])cc3[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,1
S=C1NC[C@@H](c2ccccc2)S1,0
c1cnc2c(c1)ccc1ncccc12,0
O=C1CCCN1CCc1cccc2ccccc12,0
Clc1nc(Cl)c2ncn(Cc3ccc(Cn4cnc5c(Cl)nc(Cl)nc54)cc3)c2n1,1
C=C(CN(C)C)C(=O)c1ccc(C)cc1C.Cl,1
CCc1cc2c(cc1C(=O)CBr)C(C)(C)CCC2(C)C,0
O=c1cc(-c2nn[nH]n2)[nH]c(=O)[nH]1,0
O=CN(CCNc1ccccc1)c1ccccc1,0
OCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,1
Clc1ccccc1C1OC1c1ccccc1Cl,0
CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)/C=C/c3ccccc3)c(OC)c(OC)c2)c(OC)c(OC)c1,1
CCCCCC(C=NN)C(O)(C(F)(F)F)C(F)(F)F,1
COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5.[Cl-],1
c1ccc2cc(OC[C@H]3CO3)c(OC[C@H]3CO3)cc2c1,1
CCN(CC)CCOc1ccc(C2=C(c3ccccc3)CCc3cc(OC)ccc32)cc1.Cl,1
O=[N+]([O-])c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1,1
O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-],1
CCOC(=O)C1CC(=O)c2ccccc2[C@H]1c1ccccc1,0
C=C1OC(=O)C(=O)N1CC(=O)O,0
CCOC(=O)c1c2ncccc2n2c(=O)n(-c3cccc(OC)c3)nnc12,0
O=C(NCCc1ccccc1)c1cc(C=Cc2cc(O)ccc2O)ccc1O,1
Cn1c(O)c(Cc2ccccc2)c(=O)n(C)c1=O,0
O=c1c2ccccc2nnn1N1CCOCC1,0
O=C(O)CNC(=O)c1ccccc1,0
C[C@H]1O[C@@H]1c1ccc(-c2ccc([C@@H]3O[C@@H]3C)cc2)cc1,0
CC1(C)OC(=O)C(=Cc2ccc(C#N)cc2)C(=O)O1,0
O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1,0
N#CCCNC(CC(=O)O)C(=O)O,0
CCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCC)c4c3O)c(O)c12,1
O=C1c2cc(Br)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCCl,1
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(CO)cc3nc2-1,1
O=C(O)C1CC12c1ccccc1-c1ccccc12,0
O=c1cc(-c2ccc3ccccc3c2)[nH]c2ncc(Cl)cc12,1
CCN(CC)c1ccc(C(=NN=C(N)N)c2ccc(N(CC)CC)cc2)cc1,1
Clc1cccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)[C@@H]3c3cccnc3)CC2)c1,1
OCCO[P+]1(OCCO)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1.[Cl-],1
CCCCCN(CCCCC)CC(O)c1cc(Cl)ccc1OC,1
CN(C)c1ccc(C(=NO)c2ccc(N(C)C)cc2)cc1,1
Cl.O=C1/C(=C\c2ccccc2)CN(C(=O)CCN2CCCCC2)C/C1=C\c1ccccc1,1
CCN(CC)CCCC(CNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1,1
O=P1(N(CCCl)CCCl)SCCCS1,0
S=C(c1cccs1)N1CCN(c2ccccc2Cl)CC1,0
Cc1ccc(SCN2CCN(c3cccc(Cl)c3)CC2)cc1,0
CC(Cc1ccccc1)NC(=O)C=CC(=O)O,0
CC(O)CN(Cc1cc(O)c(CN(CC(C)O)CC(C)O)cc1O)CC(C)O,0
CN1C(=O)C(=O)N2c3ccc(Cl)cc3C3(c4ccccc4)N=CC12O3,1
Cc1ncc([N+](=O)[O-])n1CCOC(N)=O,0
C/C(=N\NC(=O)c1ccncc1)c1cc(Cl)ccc1Cl,0
O=c1[nH]c2c(ccc3cnccc32)c2c1CCC2,1
CCCOC(=O)Nc1ccc(OCC)cc1,0
CCCCCCCC(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)OC)[C@H](C)CC,1
C[C@H]1CCC[C@]12NC(=O)NC2=O,0
COc1cc(OC)c(OC)cc1C=Cc1ccc2ccccc2n1,1
COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl,1
COC(=O)C1CCN1C(C)(C)C,0
COc1ccc2nc(N=Nc3c(N)[nH]c(N)nc3=O)sc2c1,0
Cc1n(Cc2ccccc2)c2c([n+]1C)C(=O)c1ccccc1C2=O.[I-],1
CCCCOC(OCCCC)C(C)N,0
Oc1ccc(Cl)cc1C(c1cc(Cl)ccc1O)C(Cl)(Cl)Cl,1
CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1.Cl,1
O=C1c2cc3c(cc2CC1Br)CCC3,1
Cl.N=C(N)N/N=C/c1c(-c2cc(Cl)sc2Cl)nc2n1CCS2,1
COC(=O)[C@]12OC[C@@]34[C@@H]1C(OC(=O)CC(C)C)C(=O)O[C@@H]3CC1C(C)CC(=O)C(=O)[C@]1(C)[C@@H]4[C@H](O)[C@@H]2O,1
C=C1C(=O)O[C@H]2[C@H](OC(C)=O)[C@@H](C)CCC[C@@]3(C)O[C@H]3CC[C@]3(CO3)[C@H](O)C[C@@H]12,1
C#CCCOC(=O)Nc1ccccc1,0
CC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,1
CCCN=Cc1cc(Cc2ccc(O)c(C=NCCC)c2)ccc1O,1
O=C1c2ccccc2C(=O)c2c1c(O)c1ccn(CCCCN(CCO)CCO)c1c2O,1
CC[C@H](C)C1OC(=O)CCNC(=O)C(C)NC(=O)C(C)(C)C(=O)C(C)NC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C(CC(C)C)N(C)C(=O)CNC1=O,1
Cc1cc(=O)[nH]c2nc3ccccc3n12,0
C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCCC#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C,1
CO[C@H]1C=C[C@]23c4cc5c(cc4CN(C[C@H]2O)[C@@H]3C1)OCO5,1
CN(C)c1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)C[C@@H]1O,0
CC(C)Cn1cnc2c(SCc3ccccc3F)nc(N)nc21,0
COc1cccc([C@@H]2CC(c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc5ccc(Cl)cc5)n4)cc3)=NN2C(C)=O)c1,0
CCCCCCCCCC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21,1
Nc1ccc(S(=O)(=O)NC[C@@H]2CCCCO2)cc1,0
CCCCOC(c1cc2c(cc1Br)OCO2)C(C)Br,0
CNC(=S)NNC(=O)C1CC1,0
N=C(CCl)NCC12CC3CC(CC(C3)C1)C2,1
O=c1[nH]cnc2ccccc12,0
CCC(=N)CC(=O)c1ccccc1,0
CCc1ccc(/C=C/C(=O)C2CN(CC)CC[C@]2(O)/C=C/c2ccc(CC)cc2)cc1.Cl,1
CCCCCCCCCCN[C@@H]1C[C@@H](O[C@H]2C[C@@](O)([C@@H](O)CO)C=C3C(=O)c4c(c(O)c5c(OC)cccc5c4O)C(=O)C32)O[C@@H](C)[C@@H]1O.Cl,1
Nc1ccc(O)c(C(=O)O)c1,0
O=[N+]([O-])c1cccc(Cl)c1,0
CN(C)CCCCN1c2ccccc2Sc2cc(N=[N+]=[N-])ccc21.O=C(O)C(=O)O,1
C=c1cc(N(CCC#N)CCC#N)ccc1=C(Sc1ccccc1)C(=NC(=O)CCc1ccccc1)C(=O)Sc1ccccc1,1
CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCCc1ccc([N+](=O)[O-])cc1,1
O=C1N[C@@H](c2cccc(OCc3ccccc3)c2)Nc2ccccc21,1
Oc1c(I)cc(Cl)c2cccnc12,1
COc1ccc(Cl)cc1/C=C/C=N/NS(=O)(=O)c1ccc(C)cc1,0
CCCCCCCCSP(=S)(N1CC1)N1CC1,0
O=C(c1ccccc1)[C@@](O)(CN1CCCCC1)c1ccccc1,0
COc1cc(Cc2cc(-c3ccc(Cl)cc3)n[nH]c2=O)ccc1O,0
O=[Se-](=O)c1ccccc1.O=[Se-](=O)c1ccccc1.[OH-].[OH-].[Pt+4],1
Oc1c(I)cc(I)cc1I,0
CC(=O)C(=CN1CCN(C(=O)c2ccco2)C1=S)C(C)=O,1
Cc1cc(C(C(N)=O)c2ccccc2)ccc1N(CCCl)CCCl,0
Cl.O=C(NCCNCCO)c1cccc2ccc(-c3ccccc3)nc12,1
Br.CN1CCC2(c3cccc(O)c3)CC(=O)C(=Cc3ccc(Cl)c(Cl)c3)C1C2,1
CCOC(=O)c1cc(-c2cccnc2)nc2c(Cl)cc(Cl)cc12,0
O=C(OCc1ccccc1)C(Cc1ccccc1)=Nc1c(Cl)c(O)c2c(O)ccc(O)c2c1O,1
CC(=O)c1ccc2c(c1)CCN2,0
O=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)N1,0
CCOC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1,0
CC1(C)NC(=O)N(CN2C(=O)NC(C)(C)C2=O)C1=O,0
CC(=O)NNc1ccc([N+](=O)[O-])cc1,0
Cc1cc(C)cc(N)c1,0
Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1N,0
O=C(NNC(=O)c1cccc(F)c1)c1ccccc1,0
O=C1C(C([N-]c2ccccc2)c2ccccc2)=C([O-])c2ccccc21.O=C1C(C([N-]c2ccccc2)c2ccccc2)=C([O-])c2ccccc21.[Co+4],1
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)C3C(=O)C[C@@]21C,0
COC1=CC(=O)O[C@@H](/C=C/c2ccc3c(c2)OCO3)C1,0
NC1CCCCC1N.O=C1C=CC(=C(c2ccc([O-])c(Br)c2)c2ccccc2S(=O)(=O)[O-])C=C1Br.O=C1C=CC(=C(c2ccc([O-])c(Br)c2)c2ccccc2S(=O)(=O)[O-])C=C1Br.[Pt+4],1
CC(=NNC(=S)N1CCCCC1)c1nc2cccnc2[nH]1,1
CC(=O)N(NC(=O)c1ccccn1)C(C)=O,0
O=c1cc(O)[nH]c(=O)n1Cc1ccccc1,0
CCOC(=O)c1sc(=S)[nH]c1C,0
Cc1cccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1,0
CCn1c(N)cc(=O)[nH]c1=S,0
N#C[C@H](Cl)CS(=O)(=O)c1ccccc1,1
CC(C)N(C)C(=O)CSc1ccc(Cl)cc1,0
CCn1c(=S)[nH]c2c(=O)n(C)c(=O)n(C)c21,0
COC(=O)Nn1cc(O)c(-c2nc(-c3ccc(F)cc3)cs2)c1N,0
CC(=O)NC1=C/C(=C\[N+](=O)[O-])CC1=O,0
CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],0
COC(=O)c1cc2c3c(cc(NCCN)c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)CC3CCl.Cl,1
O=C1CSC2(CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)N1,1
CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCN[C@@H]1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O,1
CC(=O)Nc1ccc(F)cc1F,0
CCCCOCCOCCOC(=O)c1ccccc1OCC,0
Nc1cc(-c2ccccc2)nn1-c1cc(-c2ccccc2)no1,0
CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.c1ccsc1,1
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)cc1F.[Na+],1
CCN(CC)CCOc1cccc(NC(=O)CN(CC)CC)c1,0
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0
COC1=CC(c2ccc[nH]2)=NC1=Cc1ccc[nH]1.Cl,1
CCC1(OC(=O)CN2CCN(CCO)CC2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,1
C=C(CN(CCN1CCOCC1)CC(=C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccc(C(=O)Nc2ccccc2N)cc1,1
CNCCC(=O)c1ccccc1,0
COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCN(c5ccc(OC)cc5)CC4)CC3)nc2-c2ccc(OC)cc2)cc1,1
CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C)cc1.[I-],1
Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(F)cc1,1
CC(=NNC(=O)c1cccnc1)c1cccc(C(C)=NNC(=O)c2cccnc2)n1,1
COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1,1
FC(F)(F)c1cc(NC(=S)N2c3ccccc3-n3cccc3[C@@H]2c2cccnc2)cc(C(F)(F)F)c1,1
NNC(=O)Cc1csc2ccccc12,0
CCNS(=O)(=O)c1ccccc1,0
C=c1nc2sc(C)nn2c1=Cc1c(O)[nH]c2ccc(OC)cc12,1
C[C@]12CC[C@@H]3c4ccc(OCC(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,0
COC(=O)C1(C)CCc2c(ccc3ccccc23)C1=O,0
O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-],1
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1,1
C[C@@](C#N)(CCC(=O)O)/N=N/[C@](C)(C#N)CCC(=O)O,0
CCCc1c(O)c(=O)c2c(OC)cc(OC)c3c4c(OC)cc(OC)c5c(=O)c(O)c(CCC)c(c1c23)c54,1
C[C@@H](CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12,1
Cc1ccc([C@@H]2C(C(=O)c3ccccn3)[C@H](c3ccc(C)cc3)C[C@](O)(c3ccccn3)C2C(=O)c2ccccn2)cc1,1
c1ccc(CCn2cccc2)nc1,0
O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1.[Na+],0
COc1cccc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)c1OC,1
CC1(C)N=C(c2ccccc2)C(c2ccccc2)=N1,0
C[C@H](O)CN(CCO)CCO,0
CC(=O)O[C@@H]1O[C@@H](c2c3cccc(O)c3c(O)c3c(O)cc(CO)cc23)[C@@H](O)[C@H](O)[C@@H]1O,1
CCN(CC)CC[C@@H](C)Cl,0
C(=NNC1=NCCN1)c1c2ccccc2c(C=NNC2=NCCN2)c2ccccc12,1
CC1(C)S[C@@H]2C(NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+],0
CC(=O)Nc1ccc(N)c2cc(S(=O)(=O)O)c(S(=O)(=O)O)cc12,0
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)N(C)C,0
Nc1nc(N)nc(N=CCC(=O)O)n1,0
CC(N)CCCO,0
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)C(O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)CC(C)C(=O)C=CC(C)=CC1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC.O=C(O)C(O)C(O)C(=O)O,0
CCN(CC)CCNc1ccc2ncn3c4cc(=O)ccc4c(O)c1c23.Cl,1
CCOC(=O)c1cc(-c2ccccc2)[nH]c1N/N=C/c1c(Cl)cccc1Cl,1
CSc1ncc(CO)c(N)n1,0
CCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1,1
COC1C(=N)C(=O)c2nc(C)ccc2C1=O,1
CCN1CN(c2ccccc2)C2(CCN(C[C@@H](CC3OCCO3)c3ccc(F)cc3)CC2)C1=O.Cl,1
COc1ccc(Cn2cc3c(c2)-c2nc(N)ncc2CC3)cc1,0
Cl.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(F)ccc1-2,1
CS(C)(O)NC(N)=O,0
Cc1cc2c(s1)CCC[C@H]1CC(=O)N(CN3CCN(c4ccccc4)CC3)N=C21,0
COC(OC)C1(C)NC(=O)NC1=O,0
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)[O-])c3nc12.Cl,1
CC(=O)Nc1nc(C)c(C(=O)NN)s1,0
Cn1c(=O)c(C#N)c(-c2ccccc2)n2c(=S)n(CN3CCCCC3)nc12,0
O=C(c1cc2c(c3ccccc13)NC1(CCCCC1)N=C2C(F)(F)F)C(F)(F)F,1
ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1,0
c1c2c(cc(-n3nnc4c3CCCCCC4)c1-n1nnc3c1CCCCCC3)CCCCCC2,1
O=C(c1cccs1)c1sccc1Cc1ccccc1,0
O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3)CC2)cc1,0
C=C[C@@]1(C)C[C@]2(C=C(CO)[C@@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21,1
[O-][S@+]1Nc2ccc(Br)cc2S1,1
CN(C)C(=S)/N=c1\ssc(=S)n1Cc1cccnc1,1
O=C1C[C@@H](Br)c2c(Cl)sc(Cl)c21,1
CCN1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21.[I-],1
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)cc2)n2c1CCC2,1
CC1=C(CCC(C)N(C)Cc2ccc(OCCCN3CCCC3)cc2)C(C)(C)CCC1.O=C(O)C(=O)O,1
CCOc1cc2c(c(OCC)c1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,1
CNC(=O)Oc1ccccc1OC(C)C,0
CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1,0
CCCC(C)c1ccc(OCCCCCCN2CCNCC2)cc1,1
O=[N+]([O-])c1ccccc1Nc1ccccc1[N+](=O)[O-],0
C[C@@H](O)CN(CCN(C[C@@H](C)O)C[C@@H](C)O)C[C@@H](C)O,0
Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2,1
O=S(=O)(Cc1ccccc1)CS(=O)(=O)Cc1ccccc1,0
C[C@@H]1c2cc(c3c(c2O)CN([C@@H](C)C2CCCCC2)CO3)[C@@H](C)c2cc(c3c(c2O)CN([C@@H](C)C2CCCCC2)CO3)[C@@H](C)c2cc(c3c(c2O)CN([C@@H](C)C2CCCCC2)CO3)[C@@H](C)c2cc1c1c(c2O)CN([C@@H](C)C2CCCCC2)CO1,1
C[C@@H](NC(=O)Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1,1
CC(C)(C)c1cc(Cl)c2c(c1)CN(C1CCCCC1)CO2,0
Nc1nc(SCc2ccco2)nc2[nH]cnc12,0
COc1cc([C@@H](C)c2cc3c(cc2OCCO)OCO3)cc(OC)c1OC,1
Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(Cl)cc12,1
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/C#N,1
CN1C(C)(C)CC(=NO)CC1(C)C,0
Nc1ccc2ccccc2c1[N+](=O)[O-],0
COC(=O)c1ccccc1C,0
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(/C(C)=N/NC(=O)c2ccccc2)C[C@@H]1O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C3=O.Cl,1
N#CCN(CC#N)CCN(CC#N)CC#N,0
O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1nccs1,0
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2NC(=S)NN,0
Cc1c(C#N)c2n(c1C)CCCC(=O)N2,0
C[C@]12CC(Br)(Br)C(=O)[C@@H]3[C@H]1CCC[C@@H]32,1
COc1cc2c(cc1OCCCN1CCN(C(=S)SCCC(C#N)(c3ccccc3)c3ccccc3)CC1)N=CC1CCCN1C2=O,1
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(NCCCN(CC)CC)c12,1
CN(CCCN=C=S)CCCN1c2ccccc2CCc2ccccc21.Cl,1
CCCN(CCC)CC(C)(C)C=O,0
Nc1o[nH]c(=O)c1Cc1ccccc1,0
Nc1nc(N)c2cc(S(=O)(=O)c3ccccc3)ccc2n1,1
NC(=O)C1C2CCC(C2)C1C(N)=O,0
O=[N+]([O-])c1ccc(C=C2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1,1
Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1,0
COC(=O)/C=C\C(C#N)(C#N)/N=C/c1ccc(Br)s1,1
Cc1cnc(N)nc1-c1ccccc1,0
O=C(O)C(Br)CN1C(=O)c2ccccc2C1=O,0
O=C(CCCCCCCCC(=O)NN1C(=O)C(=Cc2ccc(O)c(O)c2)S[C@H]1c1c(O)ccc2ccccc12)NN1C(=O)C(=Cc2ccc(O)c(O)c2)S[C@H]1c1c(O)ccc2ccccc12,1
CC(=O)Nc1ccc(Br)c(NC(C)=O)n1,0
Nc1nnnc2[nH]cnc12,1
COc1ccc(C2=NNC(=O)[C@]2(C)Br)cc1,0
CN(C)CCCNC(=O)c1ccc2c(c1)oc1cc3ccccc3c(=O)n12,1
CC(C)(C)c1cc(OCc2nnc3sc(-c4ccc(Cl)cc4)nn23)c(Cl)cc1OCc1nnc2sc(-c3ccc(Cl)cc3)nn12,1
CCOC(=O)/C(=C\c1ccccc1)C(=O)CCN1CCOCC1.Cl,1
COc1ccc2nc(-c3ccccc3)cc(Nc3ccc(C(C)=NO)cc3)c2c1,1
COc1ccc(/C=C2/CC[C@](CCN(C)C)(C3=CCCC3)C2=O)cc1Br.Cl,1
O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0
Cc1cccc(Nc2sc(C(=O)c3cc4cc(Cl)ccc4o3)c(N)c2C#N)c1,0
CCN(CC)CCNc1ccc2nnn3c4ccc(C)cc4c(=O)c1c23,1
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O,0
Clc1cccc(Cl)c1CBr,0
CC(=NNC(=S)Nc1ccccc1)c1cccc(C(C)=NNC(=S)Nc2ccccc2)n1,1
CC1CC2(C)C(=CC1=O)CCC1C3CCC(C)(O)C3(C)CC3OC312,0
CCOC(=O)OCc1ccccc1,0
Cc1ccc(C)c2c1C(O)(C#Cc1ccccc1)c1ccccc1C2(O)C#Cc1ccccc1,1
COc1ccc2nc3cc(Cl)ccc3c(NCCNCC(O)CO)c2c1,1
CC(C)CC(NC(=O)C(C)N)C(=O)OC(C)(C)C,0
CCN1CC(C)(C)N(C(=O)c2ccccc2)CC1(C)C,0
c1ccc2c(c1)NC1CCCCC21,0
CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1.CCS(=O)(=O)O,1
COc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@@]3([C@@H](OC)O[C@H]5C[C@@](C)(O)[C@@H](O[C@H]6C[C@@](C)(O)[C@@H](O)[C@H](C)O6)[C@H](C)O5)O[C@@H]1[C@@](OC)(O4)[C@@]31CO1)C(=O)C(O)C[C@H]2O[C@H]1C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O1,1
O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1,0
OC(c1ccccc1)(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F,0
CCOC(=O)N[C@@H]1[C@H]2C[C@@H]3[C@H](C2)[C@@H]31,0
CCN(CC)CCNc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-].Cl,1
COC(=O)/C=C\C(=O)OC,0
COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1,0
Clc1ccc2nc(CI)c(CI)nc2c1,1
Cc1ccc2ccc3ccc4ccccc4c3c2c1.O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-],1
O=C1C(=Cc2ccccc2)CN(C(=O)C(F)(F)F)CC1=Cc1ccccc1,1
CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nc(N)nc(N)c2c1C,1
O=c1ccc(=O)n(CCc2ccccn2)[nH]1,0
Nc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-],1
CCCC(C)c1c(Cl)nc(Cl)nc1Cl,1
COc1ccc(C(=S)N2CCN(c3cccc(C)c3)CC2)cc1OC,1
CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N1CCCCC1)c1ccccc1,1
COc1cc(NC(=O)c2ccccc2)c(OC)cc1N,0
CC(=O)OC[C@@H]1O[C@@H](S[As](C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,1
OC(COc1ccccc1)CN1CCN(c2ccccc2Cl)CC1,0
COc1ccc2nc3c(C(=O)NCCN(C)C)cccc3nc2c1.Cl,1
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1C,0
CC(=O)OC12CC(C(F)(F)F)(C(F)(F)F)OC1(OC(C)=O)CC(C(F)(F)F)(C(F)(F)F)O2,1
CN(CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O)CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O,1
CCCCC(CC)OC(=O)C(Br)CC,0
CC1C[C@@]2(C)O[C@H]2[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)C(Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)C(C)NC1=O,1
CCN(CC)CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)cc1OC,1
COc1cccc(C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O)c1,0
COc1ccc(N=C2CC(=O)C(=O)c3ccccc32)nn1,1
CN(C)CCc1ccc(OC(=O)c2ccc(N)cc2)cc1,0
COC(=O)c1ccccc1C(=O)c1ccccc1,0
Cl.c1ccc2cc(CN3CCC(C4CCN(Cc5ccc6ccccc6c5)CC4)CC3)ccc2c1,1
COP(=O)(OC)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1,0
COC(=O)c1oc([N+](=O)[O-])c(Cl)c1Cl,1
CCN(CC)C[C@H](O)CN=c1c2ccc(Cl)cc2[nH]c2ccc(OC)cc12.Cl,1
COCCCNS(=O)(=O)c1ncnc2[nH]cnc12,0
O=S(=O)(O)c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1.[Na+],0
O=C(Nc1cccc(-c2ccccc2)c1)N1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1,0
Nc1ccc([N+](=O)[O-])cc1O,0
COc1ccc(C2(SCC(N)C(=O)O)c3ccccc3-c3ccccc32)cc1,0
N#Cc1c(N)nc(Sc2ccccc2N)c(C#N)c1-c1ccc(Cl)cc1,1
COc1ccc(F)cc1N,0
Oc1ccccc1C=Nc1ccccc1N=Cc1ccccc1O,1
CCC(C)C(=O)O,0
Oc1oc(O)c2c1C1CCC2C1,0
COC(=O)[C@@]12C3=NO[C@]1(C(=O)OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2[C@@H](OCc1ccccc1)CC3,1
O=[N+]([O-])c1cc2c(cc1O)OCO2,0
O=C1CCC2=C3[C@H]4CCCCC4C(=O)C4CCC[C@H](O[C@@H]2C1)[C@H]34,1
COCOc1c([C@@H](O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC,1
CC1=C[C@H]2[C@]3(C)[C@@](C)(C(C)=C[P@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@@H]1[P@@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,1
CC(=O)Nc1ccc2oc(=O)ccc2c1,0
Cc1cc(O)c(C(C)C)cc1N=C1C=C(Br)C(=O)C(Br)=C1,1
Oc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1,1
C[C@H]1[C@H]2[C@H](C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O[C@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O[C@@]2(O)[C@@H]1OC(C)(C)[C@H]2O,1
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,1
COc1cc(C=Cc2ccc(C)cc2)cc(OC)c1OC,1
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c2c1,1
Cc1ccc(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1,0
O=C(C(Cl)=NO)c1ccc(Cl)cc1,0
COC(=O)C1C=C[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)n2c(=O)n(-c3ccccc3)c(=O)n21,1
NP(=O)(Oc1ccccc1)Oc1ccccc1,0
CC1(C)OCC(N)(CO)CO1,0
Clc1ccc(OCOc2ccc(Cl)cc2)cc1,0
COc1cc2c(C=C3C(=O)Nc4ccc(F)cc43)c(Cl)n(C)c2cc1C,1
Cn1nc([N+](=O)[O-])nc1-c1ccccc1,0
O=S1(=O)CCC2=CC(C(F)(F)F)=CC(C(F)(F)F)=CN21,1
COc1cccc2c(O)c3c(c(O)c12)C(=O)C1=C(C[C@@](O)(C(=O)CO)C[C@@H]1O[C@H]1C[C@H](N)[C@H](OC)[C@@H](C)O1)C3=O,1
CCN(CC)CCC(=O)OC1C(C)=CC(C)C(=O)CC(C(C)CC2CCC(O)C(OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C1OC.Cl,1
O=C(Cc1ccccc1[N+](=O)[O-])NCC(=O)c1ccc2c(c1)OCO2,0
CSc1nc(=O)cc(NC=O)[nH]1,0
Nc1ccc(C(=O)C(=O)c2ccc(N)cc2)cc1,0
O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-],1
CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(C)cc1,1
Cc1[nH]c(N)nc(=O)c1CCC1OCCO1,0
S=C(NCc1ccccn1)NN=Cc1ccccn1,1
CC(=O)Nc1ccc(Cl)cc1NC(C)=O,0
C=C(C)C(C(=O)OCC)(C(=O)OCC)C(C)C,0
COc1cc(C(=O)n2cc(-c3ccc(Cl)cc3)c(N)n2)cc(OC)c1OC,0
O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1,0
CCC(N)C(O)c1ccccc1,0
CCCCCc1cc[n+](CC(=O)c2ccccc2)cc1.[I-],0
CCCC[C@@H]1Cc2cc(OC)ccc2-c2n1c1cc(OC)ccc1[n+]2C.CCCC[C@@H]1Cc2cc(OC)ccc2-c2n1c1ccc(OC)cc1[n+]2C.[I-].[I-],1
CC(=O)SC[C@H](C)[C@@H]1CC[C@@H](C)[C@@H](SC(C)=O)C1,0
Oc1ccc(Cl)cc1CN1CCN(Cc2cc(Cl)ccc2O)C1,1
C/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-],1
Cc1ccc(C2=Nc3c(N)ncnc3N[C@H](c3ccc4c(c3)OCO4)C2)cc1,1
CCN(CC)CCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12,1
CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1,1
CCS(=O)(=O)C(C1CCCCC1)S(=O)(=O)CC,0
