digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CCc1[nH]c(C(=O)N[C@H]2CCN(c3cccc(C(=O)O)c3)C[C@H]2OC)nc1C(F)(F)F" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CCc1[nH]c(C(=O)N[C@H]2CCN(c3cccc(C(=O)O)c3)C[C@H]2OC)nc1C(F)(F)F" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CCc1[nH]c(C(=O)N[C@H]2CCN(c3cccc(C(=O)O)c3)C[C@H]2OC)nc1C(F)(F)F" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CCc1[nH]c(C(=O)N[C@H]2CCN(c3cccc(C(=O)O)c3)C[C@H]2OC)nc1C(F)(F)F" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CCc1[nH]c(C(=O)N[C@H]2CCN(c3cccc(C(=O)O)c3)C[C@H]2OC)nc1C(F)(F)F" -> 4 [label=0.000]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" [color=lightblue shape=box style=filled]
	1 -> "2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" [label=""]
	"3 | CO[C@@H]1CN(c2cccc(C(=O)O)c2)CC[C@@H]1N" [color=lightblue shape=box style=filled]
	1 -> "3 | CO[C@@H]1CN(c2cccc(C(=O)O)c2)CC[C@@H]1N" [label=""]
	"4 | O=C(O)c1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	2 -> "4 | O=C(O)c1cccc(Br)c1" [label=""]
	"5 | CCc1[nH]c(C(=O)N[C@H]2CCNC[C@H]2OC)nc1C(F)(F)F" [color=aquamarine shape=box style=filled]
	2 -> "5 | CCc1[nH]c(C(=O)N[C@H]2CCNC[C@H]2OC)nc1C(F)(F)F" [label=""]
	"6 | O=C(O)c1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	3 -> "6 | O=C(O)c1cccc(Br)c1" [label=""]
	"7 | CCc1[nH]c(C(=O)N[C@H]2CC(=O)NC[C@H]2OC)nc1C(F)(F)F" [color=aquamarine shape=box style=filled]
	3 -> "7 | CCc1[nH]c(C(=O)N[C@H]2CC(=O)NC[C@H]2OC)nc1C(F)(F)F" [label=""]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" [color=lightblue shape=box style=filled]
	4 -> "8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" [label=""]
	"9 | Clc1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	4 -> "9 | Clc1cccc(Br)c1" [label=""]
	"10 | [O]" [color=lightyellow shape=box style=filled]
	4 -> "10 | [O]" [label=""]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" [color=aquamarine shape=box style=filled]
	4 -> "11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" [label=""]
	"12 | O=CO" [color=lightyellow shape=box style=filled]
	4 -> "12 | O=CO" [label=""]
	5 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 5 [label=0.000]
	6 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 6 [label=0.000]
	7 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 7 [label=0.000]
	8 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 8 [label=0.000]
	9 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 9 [label=0.000]
	10 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 10 [label=0.000]
	11 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 11 [label=0.000]
	12 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 12 [label=0.000]
	13 [color=lightblue shape=rarrow style=filled]
	"2 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" -> 13 [label=0.000]
	14 [color=lightblue shape=rarrow style=filled]
	"3 | CO[C@@H]1CN(c2cccc(C(=O)O)c2)CC[C@@H]1N" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | CO[C@@H]1CN(c2cccc(C(=O)O)c2)CC[C@@H]1N" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | CO[C@@H]1CN(c2cccc(C(=O)O)c2)CC[C@@H]1N" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | CO[C@@H]1CN(c2cccc(C(=O)O)c2)CC[C@@H]1N" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"5 | CCc1[nH]c(C(=O)N[C@H]2CCNC[C@H]2OC)nc1C(F)(F)F" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"5 | CCc1[nH]c(C(=O)N[C@H]2CCNC[C@H]2OC)nc1C(F)(F)F" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"7 | CCc1[nH]c(C(=O)N[C@H]2CC(=O)NC[C@H]2OC)nc1C(F)(F)F" -> 20 [label=0.000]
	21 [color=lightblue shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 27 [label=0.000]
	28 [color=lightblue shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 29 [label=0.000]
	30 [color=lightblue shape=rarrow style=filled]
	"8 | CCOC(=O)c1nc(C(F)(F)F)c(CC)[nH]1" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"11 | CO[C@@H]1C[N+]CC[C@@H]1N=O" -> 40 [label=0.000]
	"13 | O=C(O)c1nc(C(F)(F)F)c[nH]1" [color=lightyellow shape=box style=filled]
	5 -> "13 | O=C(O)c1nc(C(F)(F)F)c[nH]1" [label=""]
	"14 | CCI" [color=lightyellow shape=box style=filled]
	5 -> "14 | CCI" [label=""]
	"15 | CCc1[nH]cnc1C(F)(F)F" [color=lightblue shape=box style=filled]
	6 -> "15 | CCc1[nH]cnc1C(F)(F)F" [label=""]
	"16 | O=C=O" [color=lightyellow shape=box style=filled]
	6 -> "16 | O=C=O" [label=""]
	"17 | CCC=C(N)C(F)(F)F" [color=lightblue shape=box style=filled]
	7 -> "17 | CCC=C(N)C(F)(F)F" [label=""]
	"18 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	7 -> "18 | NC(=O)C(=O)O" [label=""]
	"19 | NC(=NCC(F)(F)F)C(=O)O" [color=lightblue shape=box style=filled]
	8 -> "19 | NC(=NCC(F)(F)F)C(=O)O" [label=""]
	"20 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	8 -> "20 | CCC(=O)O" [label=""]
	"21 | NC(=NCC(F)(F)F)C(=O)O" [color=lightblue shape=box style=filled]
	9 -> "21 | NC(=NCC(F)(F)F)C(=O)O" [label=""]
	"22 | CCC=O" [color=lightyellow shape=box style=filled]
	9 -> "22 | CCC=O" [label=""]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" [color=lightblue shape=box style=filled]
	10 -> "23 | NC(=NC(=O)C(F)(F)F)C(=O)O" [label=""]
	"24 | CCC=O" [color=lightyellow shape=box style=filled]
	10 -> "24 | CCC=O" [label=""]
	"25 | CCC" [color=lightyellow shape=box style=filled]
	11 -> "25 | CCC" [label=""]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" [color=lightblue shape=box style=filled]
	11 -> "26 | NC(=NC(=O)C(F)(F)F)C(=O)O" [label=""]
	"27 | O=C=O" [color=lightyellow shape=box style=filled]
	12 -> "27 | O=C=O" [label=""]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" [color=lightblue shape=box style=filled]
	12 -> "28 | CCc1[nH]c(Cl)nc1C(F)(F)F" [label=""]
	"29 | CCC=C(N)C(F)(F)F" [color=lightblue shape=box style=filled]
	13 -> "29 | CCC=C(N)C(F)(F)F" [label=""]
	"30 | NC(O)C(=O)O" [color=lightblue shape=box style=filled]
	13 -> "30 | NC(O)C(=O)O" [label=""]
	"31 | O=C(O)c1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	14 -> "31 | O=C(O)c1cccc(Br)c1" [label=""]
	"32 | CO[C@@H]1CNCC[C@@H]1N" [color=lightblue shape=box style=filled]
	14 -> "32 | CO[C@@H]1CNCC[C@@H]1N" [label=""]
	"33 | CO[C@@H]1CNC(=O)C[C@@H]1N" [color=lightgrey shape=box style=filled]
	15 -> "33 | CO[C@@H]1CNC(=O)C[C@@H]1N" [label=""]
	"34 | O=C(O)c1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	15 -> "34 | O=C(O)c1cccc(Br)c1" [label=""]
	"35 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	16 -> "35 | O=C1CCC(=O)N1Cl" [label=""]
	"36 | O=C(O)c1cc(I)ccc1Br" [color=lightyellow shape=box style=filled]
	16 -> "36 | O=C(O)c1cc(I)ccc1Br" [label=""]
	"37 | CO[C@@H]1CN(Br)CC[C@@H]1NO" [color=lightgrey shape=box style=filled]
	16 -> "37 | CO[C@@H]1CN(Br)CC[C@@H]1NO" [label=""]
	"38 | O=C(O)c1[c]ccc(Br)c1" [color=lightgrey shape=box style=filled]
	17 -> "38 | O=C(O)c1[c]ccc(Br)c1" [label=""]
	"39 | ClCl" [color=lightyellow shape=box style=filled]
	17 -> "39 | ClCl" [label=""]
	"40 | [Br]" [color=lightyellow shape=box style=filled]
	17 -> "40 | [Br]" [label=""]
	"41 | CO[C@@H]1CNCC[C@@H]1NO" [color=lightgrey shape=box style=filled]
	17 -> "41 | CO[C@@H]1CNCC[C@@H]1NO" [label=""]
	"42 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" [color=lightgrey shape=box style=filled]
	18 -> "42 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" [label=""]
	"43 | CO[C@@H]1CNCC[C@@H]1N" [color=lightgrey shape=box style=filled]
	18 -> "43 | CO[C@@H]1CNCC[C@@H]1N" [label=""]
	"44 | CCc1[nH]c(C(=O)N[C@@H](CC=O)[C@@H](C[N+](=O)C(=O)OC(C)(C=O)C(=O)Cl)OC=[Br+])nc1C(F)(F)F" [color=lightgrey shape=box style=filled]
	19 -> "44 | CCc1[nH]c(C(=O)N[C@@H](CC=O)[C@@H](C[N+](=O)C(=O)OC(C)(C=O)C(=O)Cl)OC=[Br+])nc1C(F)(F)F" [label=""]
	"45 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" [color=lightgrey shape=box style=filled]
	20 -> "45 | CCc1[nH]c(C(=O)O)nc1C(F)(F)F" [label=""]
	"46 | CO[C@@H]1CNC(=O)C[C@@H]1N" [color=lightgrey shape=box style=filled]
	20 -> "46 | CO[C@@H]1CNC(=O)C[C@@H]1N" [label=""]
	"47 | CCOC(=O)c1nc(C(F)(F)F)c[nH]1" [color=lightyellow shape=box style=filled]
	21 -> "47 | CCOC(=O)c1nc(C(F)(F)F)c[nH]1" [label=""]
	"48 | CCI" [color=lightyellow shape=box style=filled]
	21 -> "48 | CCI" [label=""]
	"49 | CCOC(=O)c1nc(C(F)(F)F)c(C)[nH]1" [color=lightgrey shape=box style=filled]
	22 -> "49 | CCOC(=O)c1nc(C(F)(F)F)c(C)[nH]1" [label=""]
	"50 | CI" [color=lightyellow shape=box style=filled]
	22 -> "50 | CI" [label=""]
	"51 | CCC=C(N)C(F)(F)F" [color=lightgrey shape=box style=filled]
	23 -> "51 | CCC=C(N)C(F)(F)F" [label=""]
	"52 | CCOC(=O)C(N)=O" [color=lightyellow shape=box style=filled]
	23 -> "52 | CCOC(=O)C(N)=O" [label=""]
	"53 | CCOC(=O)C(N)=NCC(F)(F)F" [color=lightgrey shape=box style=filled]
	24 -> "53 | CCOC(=O)C(N)=NCC(F)(F)F" [label=""]
	"54 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	24 -> "54 | CCC(=O)O" [label=""]
	"55 | CCC(N)=C(N)C(F)(F)F" [color=lightgrey shape=box style=filled]
	25 -> "55 | CCC(N)=C(N)C(F)(F)F" [label=""]
	"56 | CCOC(=O)C=O" [color=lightyellow shape=box style=filled]
	25 -> "56 | CCOC(=O)C=O" [label=""]
	"57 | CO" [color=lightyellow shape=box style=filled]
	26 -> "57 | CO" [label=""]
	"58 | CCOC(=O)c1nc(C(F)(F)F)c(C)[nH]1" [color=lightgrey shape=box style=filled]
	26 -> "58 | CCOC(=O)c1nc(C(F)(F)F)c(C)[nH]1" [label=""]
	"59 | CCC" [color=lightyellow shape=box style=filled]
	27 -> "59 | CCC" [label=""]
	"60 | CCOC(=O)C(N)=NC(=O)C(F)(F)F" [color=lightgrey shape=box style=filled]
	27 -> "60 | CCOC(=O)C(N)=NC(=O)C(F)(F)F" [label=""]
	"61 | CCCC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	28 -> "61 | CCCC(=O)C(F)(F)F" [label=""]
	"62 | CCOC(=O)C(=N)N" [color=lightyellow shape=box style=filled]
	28 -> "62 | CCOC(=O)C(=N)N" [label=""]
	"63 | CI" [color=lightyellow shape=box style=filled]
	29 -> "63 | CI" [label=""]
	"64 | CCOC(=O)c1nc(C(F)(F)F)c(CBr)[nH]1" [color=lightgrey shape=box style=filled]
	29 -> "64 | CCOC(=O)c1nc(C(F)(F)F)c(CBr)[nH]1" [label=""]
	"65 | CCC(=O)CC(F)(F)F" [color=lightyellow shape=box style=filled]
	30 -> "65 | CCC(=O)CC(F)(F)F" [label=""]
	"66 | CCOC(=O)C(=N)N" [color=lightyellow shape=box style=filled]
	30 -> "66 | CCOC(=O)C(=N)N" [label=""]
	"67 | CO[C@H]1CCC[N+]C1" [color=lightgrey shape=box style=filled]
	31 -> "67 | CO[C@H]1CCC[N+]C1" [label=""]
	"68 | O=NO" [color=lightyellow shape=box style=filled]
	31 -> "68 | O=NO" [label=""]
	"69 | CO[C@@H]1C[N+]CCC1=O" [color=lightgrey shape=box style=filled]
	32 -> "69 | CO[C@@H]1C[N+]CCC1=O" [label=""]
	"70 | N=O" [color=lightgrey shape=box style=filled]
	32 -> "70 | N=O" [label=""]
	"71 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	33 -> "71 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"72 | CO[C@@H]1C[N+]CC[C@@H]1N" [color=lightgrey shape=box style=filled]
	33 -> "72 | CO[C@@H]1C[N+]CC[C@@H]1N" [label=""]
	"73 | CO[C@@H]1C[N+]CC[C@@H]1NO" [color=lightgrey shape=box style=filled]
	34 -> "73 | CO[C@@H]1C[N+]CC[C@@H]1NO" [label=""]
	"74 | O=NCl" [color=lightgrey shape=box style=filled]
	35 -> "74 | O=NCl" [label=""]
	"75 | CO[C@H]1CCC[N+]C1" [color=lightgrey shape=box style=filled]
	35 -> "75 | CO[C@H]1CCC[N+]C1" [label=""]
	"76 | CO" [color=lightyellow shape=box style=filled]
	36 -> "76 | CO" [label=""]
	"77 | O=[N+](O)C1CC[N+]CC1" [color=lightgrey shape=box style=filled]
	36 -> "77 | O=[N+](O)C1CC[N+]CC1" [label=""]
	"78 | CO[C@@H]1C[N+]CCC1=O" [color=lightgrey shape=box style=filled]
	37 -> "78 | CO[C@@H]1C[N+]CCC1=O" [label=""]
	"79 | N=O" [color=lightgrey shape=box style=filled]
	37 -> "79 | N=O" [label=""]
	"80 | COCC[N+]CCC[N+](=O)O" [color=lightgrey shape=box style=filled]
	38 -> "80 | COCC[N+]CCC[N+](=O)O" [label=""]
	"81 | COCC[N+]CCC(=O)N=O" [color=lightgrey shape=box style=filled]
	39 -> "81 | COCC[N+]CCC(=O)N=O" [label=""]
	"82 | [N]=O" [color=lightgrey shape=box style=filled]
	40 -> "82 | [N]=O" [label=""]
	"83 | CO[C@H]1[C]CC[N+]C1" [color=lightgrey shape=box style=filled]
	40 -> "83 | CO[C@H]1[C]CC[N+]C1" [label=""]
	41 [color=lightblue shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 42 [label=0.000]
	43 [color=lightblue shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 44 [label=0.000]
	45 [color=lightblue shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 48 [label=0.000]
	49 [color=lightblue shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"15 | CCc1[nH]cnc1C(F)(F)F" -> 50 [label=0.000]
	51 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 51 [label=0.000]
	52 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 52 [label=0.000]
	53 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 53 [label=0.000]
	54 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 54 [label=0.000]
	55 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 55 [label=0.000]
	56 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 56 [label=0.000]
	57 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 57 [label=0.000]
	58 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 58 [label=0.000]
	59 [color=lightblue shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"17 | CCC=C(N)C(F)(F)F" -> 60 [label=0.000]
	61 [color=lightblue shape=rarrow style=filled]
	"19 | NC(=NCC(F)(F)F)C(=O)O" -> 61 [label=0.000]
	62 [color=lightblue shape=rarrow style=filled]
	"19 | NC(=NCC(F)(F)F)C(=O)O" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"19 | NC(=NCC(F)(F)F)C(=O)O" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"19 | NC(=NCC(F)(F)F)C(=O)O" -> 64 [label=0.000]
	65 [color=lightblue shape=rarrow style=filled]
	"21 | NC(=NCC(F)(F)F)C(=O)O" -> 65 [label=0.000]
	66 [color=lightblue shape=rarrow style=filled]
	"21 | NC(=NCC(F)(F)F)C(=O)O" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"21 | NC(=NCC(F)(F)F)C(=O)O" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"21 | NC(=NCC(F)(F)F)C(=O)O" -> 68 [label=0.000]
	69 [color=lightblue shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 78 [label=0.000]
	79 [color=lightblue shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"26 | NC(=NC(=O)C(F)(F)F)C(=O)O" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 93 [label=0.000]
	94 [color=lightblue shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"28 | CCc1[nH]c(Cl)nc1C(F)(F)F" -> 98 [label=0.000]
	99 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 99 [label=0.000]
	100 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 100 [label=0.000]
	101 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 101 [label=0.000]
	102 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 102 [label=0.000]
	103 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 103 [label=0.000]
	104 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 104 [label=0.000]
	105 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 105 [label=0.000]
	106 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 106 [label=0.000]
	107 [color=lightblue shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"29 | CCC=C(N)C(F)(F)F" -> 108 [label=0.000]
	109 [color=lightblue shape=rarrow style=filled]
	"30 | NC(O)C(=O)O" -> 109 [label=0.000]
	110 [color=lightblue shape=rarrow style=filled]
	"30 | NC(O)C(=O)O" -> 110 [label=0.000]
	111 [color=lightblue shape=rarrow style=filled]
	"30 | NC(O)C(=O)O" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(O)C(=O)O" -> 112 [label=0.000]
	113 [color=lightblue shape=rarrow style=filled]
	"30 | NC(O)C(=O)O" -> 113 [label=0.000]
	114 [color=lightblue shape=rarrow style=filled]
	"30 | NC(O)C(=O)O" -> 114 [label=0.000]
	115 [color=lightblue shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 116 [label=0.000]
	117 [color=lightblue shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 119 [label=0.000]
	120 [color=lightblue shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 120 [label=0.000]
	121 [color=lightblue shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 121 [label=0.000]
	122 [color=lightblue shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 122 [label=0.000]
	123 [color=lightblue shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"32 | CO[C@@H]1CNCC[C@@H]1N" -> 124 [label=0.000]
	"84 | FC(F)(F)c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	41 -> "84 | FC(F)(F)c1c[nH]cn1" [label=""]
	"85 | CCI" [color=lightyellow shape=box style=filled]
	41 -> "85 | CCI" [label=""]
	"86 | CCC=C(N)C(F)(F)F" [color=lightgrey shape=box style=filled]
	42 -> "86 | CCC=C(N)C(F)(F)F" [label=""]
	"87 | NC=O" [color=lightyellow shape=box style=filled]
	42 -> "87 | NC=O" [label=""]
	"88 | N=CN" [color=lightyellow shape=box style=filled]
	43 -> "88 | N=CN" [label=""]
	"89 | CCC(=O)CC(F)(F)F" [color=lightyellow shape=box style=filled]
	43 -> "89 | CCC(=O)CC(F)(F)F" [label=""]
	"90 | CCC(N)=CC(F)(F)F" [color=lightgrey shape=box style=filled]
	44 -> "90 | CCC(N)=CC(F)(F)F" [label=""]
	"91 | NC=O" [color=lightyellow shape=box style=filled]
	44 -> "91 | NC=O" [label=""]
	"92 | N=CN" [color=lightyellow shape=box style=filled]
	45 -> "92 | N=CN" [label=""]
	"93 | CCCC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	45 -> "93 | CCCC(=O)C(F)(F)F" [label=""]
	"94 | CCCNC=O" [color=lightgrey shape=box style=filled]
	46 -> "94 | CCCNC=O" [label=""]
	"95 | NCC(F)(F)F" [color=lightyellow shape=box style=filled]
	46 -> "95 | NCC(F)(F)F" [label=""]
	"96 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	47 -> "96 | NC(=O)C(F)(F)F" [label=""]
	"97 | CCCNC=O" [color=lightgrey shape=box style=filled]
	47 -> "97 | CCCNC=O" [label=""]
	"98 | N" [color=lightyellow shape=box style=filled]
	48 -> "98 | N" [label=""]
	"99 | CCC(=CC(F)(F)F)NC=O" [color=lightgrey shape=box style=filled]
	48 -> "99 | CCC(=CC(F)(F)F)NC=O" [label=""]
	"100 | FC(F)(F)c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	49 -> "100 | FC(F)(F)c1c[nH]cn1" [label=""]
	"101 | CCBr" [color=lightyellow shape=box style=filled]
	49 -> "101 | CCBr" [label=""]
	"102 | CCC=CC(F)(F)F" [color=lightgrey shape=box style=filled]
	50 -> "102 | CCC=CC(F)(F)F" [label=""]
	"103 | NC(N)=O" [color=lightyellow shape=box style=filled]
	50 -> "103 | NC(N)=O" [label=""]
	"104 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	51 -> "104 | NC(=O)C(F)(F)F" [label=""]
	"105 | CCC=O" [color=lightyellow shape=box style=filled]
	51 -> "105 | CCC=O" [label=""]
	"106 | CCC" [color=lightyellow shape=box style=filled]
	52 -> "106 | CCC" [label=""]
	"107 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	52 -> "107 | NC(=O)C(F)(F)F" [label=""]
	"108 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	53 -> "108 | NC(=O)C(F)(F)F" [label=""]
	"109 | CC(C)Br" [color=lightyellow shape=box style=filled]
	53 -> "109 | CC(C)Br" [label=""]
	"110 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	54 -> "110 | NC(=O)C(F)(F)F" [label=""]
	"111 | CCC=O" [color=lightyellow shape=box style=filled]
	54 -> "111 | CCC=O" [label=""]
	"112 | CCC=O" [color=lightyellow shape=box style=filled]
	55 -> "112 | CCC=O" [label=""]
	"113 | NCC(F)(F)F" [color=lightyellow shape=box style=filled]
	55 -> "113 | NCC(F)(F)F" [label=""]
	"114 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	56 -> "114 | NC(=O)C(F)(F)F" [label=""]
	"115 | CC(C)[Mg+]" [color=lightyellow shape=box style=filled]
	56 -> "115 | CC(C)[Mg+]" [label=""]
	"116 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	57 -> "116 | NC(=O)C(F)(F)F" [label=""]
	"117 | CC(C)I" [color=lightyellow shape=box style=filled]
	57 -> "117 | CC(C)I" [label=""]
	"118 | CCCP(=O)(OCC)OCC" [color=lightyellow shape=box style=filled]
	58 -> "118 | CCCP(=O)(OCC)OCC" [label=""]
	"119 | NCC(F)(F)F" [color=lightyellow shape=box style=filled]
	58 -> "119 | NCC(F)(F)F" [label=""]
	"120 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	59 -> "120 | NC(=O)C(F)(F)F" [label=""]
	"121 | CCCP(=O)(OCC)OCC" [color=lightyellow shape=box style=filled]
	59 -> "121 | CCCP(=O)(OCC)OCC" [label=""]
	"122 | CCC=CC(F)(F)F" [color=lightgrey shape=box style=filled]
	60 -> "122 | CCC=CC(F)(F)F" [label=""]
	"123 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	60 -> "123 | CC(C)(C)OC(N)=O" [label=""]
	"124 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	61 -> "124 | NC(=O)C(=O)O" [label=""]
	"125 | NCC(F)(F)F" [color=lightyellow shape=box style=filled]
	61 -> "125 | NCC(F)(F)F" [label=""]
	"126 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	62 -> "126 | NC(=O)C(F)(F)F" [label=""]
	"127 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	62 -> "127 | NC(=O)C(=O)O" [label=""]
	"128 | O=[O+][O+]=NO" [color=lightgrey shape=box style=filled]
	63 -> "128 | O=[O+][O+]=NO" [label=""]
	"129 | BrI" [color=lightyellow shape=box style=filled]
	63 -> "129 | BrI" [label=""]
	"130 | O=C(O)C=NCC(F)(F)F" [color=lightgrey shape=box style=filled]
	63 -> "130 | O=C(O)C=NCC(F)(F)F" [label=""]
	"131 | ON=[O+]O" [color=lightgrey shape=box style=filled]
	64 -> "131 | ON=[O+]O" [label=""]
	"132 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	64 -> "132 | O=C1CCC(=O)N1Br" [label=""]
	"133 | O=C(O)C=NC(Br)C(F)(F)F" [color=lightgrey shape=box style=filled]
	64 -> "133 | O=C(O)C=NC(Br)C(F)(F)F" [label=""]
	"134 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	65 -> "134 | NC(=O)C(=O)O" [label=""]
	"135 | NCC(F)(F)F" [color=lightyellow shape=box style=filled]
	65 -> "135 | NCC(F)(F)F" [label=""]
	"136 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	66 -> "136 | NC(=O)C(F)(F)F" [label=""]
	"137 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	66 -> "137 | NC(=O)C(=O)O" [label=""]
	"138 | O=[O+][O+]=NO" [color=lightgrey shape=box style=filled]
	67 -> "138 | O=[O+][O+]=NO" [label=""]
	"139 | BrI" [color=lightyellow shape=box style=filled]
	67 -> "139 | BrI" [label=""]
	"140 | O=C(O)C=NCC(F)(F)F" [color=lightgrey shape=box style=filled]
	67 -> "140 | O=C(O)C=NCC(F)(F)F" [label=""]
	"141 | ON=[O+]O" [color=lightgrey shape=box style=filled]
	68 -> "141 | ON=[O+]O" [label=""]
	"142 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	68 -> "142 | O=C1CCC(=O)N1Br" [label=""]
	"143 | O=C(O)C=NC(Br)C(F)(F)F" [color=lightgrey shape=box style=filled]
	68 -> "143 | O=C(O)C=NC(Br)C(F)(F)F" [label=""]
	"144 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	69 -> "144 | NC(=O)C(F)(F)F" [label=""]
	"145 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	69 -> "145 | NC(=O)C(=O)O" [label=""]
	"146 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	70 -> "146 | N=C(N)C(=O)O" [label=""]
	"147 | CCOC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	70 -> "147 | CCOC(=O)C(F)(F)F" [label=""]
	"148 | O=C(NO)C(F)(F)F" [color=lightgrey shape=box style=filled]
	71 -> "148 | O=C(NO)C(F)(F)F" [label=""]
	"149 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	71 -> "149 | NCC(=O)O" [label=""]
	"150 | O=C(NCl)C(F)(F)F" [color=lightgrey shape=box style=filled]
	72 -> "150 | O=C(NCl)C(F)(F)F" [label=""]
	"151 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	72 -> "151 | NCC(=O)O" [label=""]
	"152 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	73 -> "152 | N=C(N)C(=O)O" [label=""]
	"153 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	73 -> "153 | O=C(O)C(F)(F)F" [label=""]
	"154 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	74 -> "154 | N=C(N)C(=O)O" [label=""]
	"155 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	74 -> "155 | O=C(O)C(F)(F)F" [label=""]
	"156 | CCI" [color=lightyellow shape=box style=filled]
	74 -> "156 | CCI" [label=""]
	"157 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	75 -> "157 | N=C(N)C(=O)O" [label=""]
	"158 | CCBr" [color=lightyellow shape=box style=filled]
	75 -> "158 | CCBr" [label=""]
	"159 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	75 -> "159 | O=C(O)C(F)(F)F" [label=""]
	"160 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	76 -> "160 | N=C(N)C(=O)O" [label=""]
	"161 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	76 -> "161 | O=C(O)C(F)(F)F" [label=""]
	"162 | CCO" [color=lightyellow shape=box style=filled]
	76 -> "162 | CCO" [label=""]
	"163 | [CH2]C" [color=lightgrey shape=box style=filled]
	77 -> "163 | [CH2]C" [label=""]
	"164 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	77 -> "164 | N=C(N)C(=O)O" [label=""]
	"165 | [O]C(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	77 -> "165 | [O]C(=O)C(F)(F)F" [label=""]
	"166 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	78 -> "166 | N=C(N)C(=O)O" [label=""]
	"167 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	78 -> "167 | CC[Mg+]" [label=""]
	"168 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	78 -> "168 | O=C(O)C(F)(F)F" [label=""]
	"169 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	79 -> "169 | NC(=O)C(F)(F)F" [label=""]
	"170 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	79 -> "170 | NC(=O)C(=O)O" [label=""]
	"171 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	80 -> "171 | N=C(N)C(=O)O" [label=""]
	"172 | CCOC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	80 -> "172 | CCOC(=O)C(F)(F)F" [label=""]
	"173 | O=C(NO)C(F)(F)F" [color=lightgrey shape=box style=filled]
	81 -> "173 | O=C(NO)C(F)(F)F" [label=""]
	"174 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	81 -> "174 | NCC(=O)O" [label=""]
	"175 | O=C(NCl)C(F)(F)F" [color=lightgrey shape=box style=filled]
	82 -> "175 | O=C(NCl)C(F)(F)F" [label=""]
	"176 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	82 -> "176 | NCC(=O)O" [label=""]
	"177 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	83 -> "177 | N=C(N)C(=O)O" [label=""]
	"178 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	83 -> "178 | O=C(O)C(F)(F)F" [label=""]
	"179 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	84 -> "179 | N=C(N)C(=O)O" [label=""]
	"180 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	84 -> "180 | O=C(O)C(F)(F)F" [label=""]
	"181 | CCI" [color=lightyellow shape=box style=filled]
	84 -> "181 | CCI" [label=""]
	"182 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	85 -> "182 | N=C(N)C(=O)O" [label=""]
	"183 | CCBr" [color=lightyellow shape=box style=filled]
	85 -> "183 | CCBr" [label=""]
	"184 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	85 -> "184 | O=C(O)C(F)(F)F" [label=""]
	"185 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	86 -> "185 | N=C(N)C(=O)O" [label=""]
	"186 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	86 -> "186 | O=C(O)C(F)(F)F" [label=""]
	"187 | CCO" [color=lightyellow shape=box style=filled]
	86 -> "187 | CCO" [label=""]
	"188 | [CH2]C" [color=lightgrey shape=box style=filled]
	87 -> "188 | [CH2]C" [label=""]
	"189 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	87 -> "189 | N=C(N)C(=O)O" [label=""]
	"190 | [O]C(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	87 -> "190 | [O]C(=O)C(F)(F)F" [label=""]
	"191 | N=C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	88 -> "191 | N=C(N)C(=O)O" [label=""]
	"192 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	88 -> "192 | CC[Mg+]" [label=""]
	"193 | O=C(O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	88 -> "193 | O=C(O)C(F)(F)F" [label=""]
	"194 | FC(F)(F)c1c[nH]c(Cl)n1" [color=lightgrey shape=box style=filled]
	89 -> "194 | FC(F)(F)c1c[nH]c(Cl)n1" [label=""]
	"195 | CCI" [color=lightyellow shape=box style=filled]
	89 -> "195 | CCI" [label=""]
	"196 | CCc1[nH]cnc1C(F)(F)F" [color=lightgrey shape=box style=filled]
	90 -> "196 | CCc1[nH]cnc1C(F)(F)F" [label=""]
	"197 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	90 -> "197 | ClC(Cl)(Cl)Cl" [label=""]
	"198 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	91 -> "198 | O=C1CCC(=O)N1Cl" [label=""]
	"199 | CCc1[nH]cnc1C(F)(F)F" [color=lightgrey shape=box style=filled]
	91 -> "199 | CCc1[nH]cnc1C(F)(F)F" [label=""]
	"200 | CCC" [color=lightyellow shape=box style=filled]
	92 -> "200 | CCC" [label=""]
	"201 | NC(Cl)=NC(=O)C(F)(F)F" [color=lightgrey shape=box style=filled]
	92 -> "201 | NC(Cl)=NC(=O)C(F)(F)F" [label=""]
	"202 | NC(Cl)=NCC(F)(F)F" [color=lightgrey shape=box style=filled]
	93 -> "202 | NC(Cl)=NCC(F)(F)F" [label=""]
	"203 | CCC=O" [color=lightyellow shape=box style=filled]
	93 -> "203 | CCC=O" [label=""]
	"204 | CCCC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	94 -> "204 | CCCC(=O)C(F)(F)F" [label=""]
	"205 | N=C(N)Cl" [color=lightyellow shape=box style=filled]
	94 -> "205 | N=C(N)Cl" [label=""]
	"206 | CCC=O" [color=lightyellow shape=box style=filled]
	95 -> "206 | CCC=O" [label=""]
	"207 | NC(Cl)=NC(=O)C(F)(F)F" [color=lightgrey shape=box style=filled]
	95 -> "207 | NC(Cl)=NC(=O)C(F)(F)F" [label=""]
	"208 | NC(Cl)=NCC(F)(F)F" [color=lightgrey shape=box style=filled]
	96 -> "208 | NC(Cl)=NCC(F)(F)F" [label=""]
	"209 | CCC=O" [color=lightyellow shape=box style=filled]
	96 -> "209 | CCC=O" [label=""]
	"210 | NC(Cl)=NCC(F)(F)F" [color=lightgrey shape=box style=filled]
	97 -> "210 | NC(Cl)=NCC(F)(F)F" [label=""]
	"211 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	97 -> "211 | CCC(=O)O" [label=""]
	"212 | CCC=O" [color=lightyellow shape=box style=filled]
	98 -> "212 | CCC=O" [label=""]
	"213 | NC(Cl)=NC(=O)C(F)(F)F" [color=lightgrey shape=box style=filled]
	98 -> "213 | NC(Cl)=NC(=O)C(F)(F)F" [label=""]
	"214 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	99 -> "214 | NC(=O)C(F)(F)F" [label=""]
	"215 | CCC=O" [color=lightyellow shape=box style=filled]
	99 -> "215 | CCC=O" [label=""]
	"216 | CCC" [color=lightyellow shape=box style=filled]
	100 -> "216 | CCC" [label=""]
	"217 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	100 -> "217 | NC(=O)C(F)(F)F" [label=""]
	"218 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	101 -> "218 | NC(=O)C(F)(F)F" [label=""]
	"219 | CC(C)Br" [color=lightyellow shape=box style=filled]
	101 -> "219 | CC(C)Br" [label=""]
	"220 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	102 -> "220 | NC(=O)C(F)(F)F" [label=""]
	"221 | CCC=O" [color=lightyellow shape=box style=filled]
	102 -> "221 | CCC=O" [label=""]
	"222 | CCC=O" [color=lightyellow shape=box style=filled]
	103 -> "222 | CCC=O" [label=""]
	"223 | NCC(F)(F)F" [color=lightyellow shape=box style=filled]
	103 -> "223 | NCC(F)(F)F" [label=""]
	"224 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	104 -> "224 | NC(=O)C(F)(F)F" [label=""]
	"225 | CC(C)[Mg+]" [color=lightyellow shape=box style=filled]
	104 -> "225 | CC(C)[Mg+]" [label=""]
	"226 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	105 -> "226 | NC(=O)C(F)(F)F" [label=""]
	"227 | CC(C)I" [color=lightyellow shape=box style=filled]
	105 -> "227 | CC(C)I" [label=""]
	"228 | CCCP(=O)(OCC)OCC" [color=lightyellow shape=box style=filled]
	106 -> "228 | CCCP(=O)(OCC)OCC" [label=""]
	"229 | NCC(F)(F)F" [color=lightyellow shape=box style=filled]
	106 -> "229 | NCC(F)(F)F" [label=""]
	"230 | NC(=O)C(F)(F)F" [color=lightyellow shape=box style=filled]
	107 -> "230 | NC(=O)C(F)(F)F" [label=""]
	"231 | CCCP(=O)(OCC)OCC" [color=lightyellow shape=box style=filled]
	107 -> "231 | CCCP(=O)(OCC)OCC" [label=""]
	"232 | CCC=CC(F)(F)F" [color=lightgrey shape=box style=filled]
	108 -> "232 | CCC=CC(F)(F)F" [label=""]
	"233 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	108 -> "233 | CC(C)(C)OC(N)=O" [label=""]
	"234 | N" [color=lightyellow shape=box style=filled]
	109 -> "234 | N" [label=""]
	"235 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	109 -> "235 | O=CC(=O)O" [label=""]
	"236 | O=C(O)CO" [color=lightyellow shape=box style=filled]
	110 -> "236 | O=C(O)CO" [label=""]
	"237 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	110 -> "237 | CC(C)(C)OC(N)=O" [label=""]
	"238 | O=C(O)C(=O)O" [color=lightyellow shape=box style=filled]
	111 -> "238 | O=C(O)C(=O)O" [label=""]
	"239 | N" [color=lightyellow shape=box style=filled]
	111 -> "239 | N" [label=""]
	"240 | NCO" [color=lightgrey shape=box style=filled]
	112 -> "240 | NCO" [label=""]
	"241 | O=C=O" [color=lightyellow shape=box style=filled]
	112 -> "241 | O=C=O" [label=""]
	"242 | O=CO" [color=lightyellow shape=box style=filled]
	113 -> "242 | O=CO" [label=""]
	"243 | NC=O" [color=lightyellow shape=box style=filled]
	113 -> "243 | NC=O" [label=""]
	"244 | O=CO" [color=lightyellow shape=box style=filled]
	114 -> "244 | O=CO" [label=""]
	"245 | NC(=O)O" [color=lightyellow shape=box style=filled]
	114 -> "245 | NC(=O)O" [label=""]
	"246 | N[C@H]1CCNC[C@H]1O" [color=lightyellow shape=box style=filled]
	115 -> "246 | N[C@H]1CCNC[C@H]1O" [label=""]
	"247 | CO" [color=lightyellow shape=box style=filled]
	115 -> "247 | CO" [label=""]
	"248 | CO[C@@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	116 -> "248 | CO[C@@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1" [label=""]
	"249 | COCCNCCCNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	117 -> "249 | COCCNCCCNC(=O)OC(C)(C)C" [label=""]
	"250 | CO" [color=lightyellow shape=box style=filled]
	118 -> "250 | CO" [label=""]
	"251 | N[C@H]1CCNCC1=O" [color=lightgrey shape=box style=filled]
	118 -> "251 | N[C@H]1CCNCC1=O" [label=""]
	"252 | CO[C@@H]1CNCC[C@@H]1N[O-]" [color=lightgrey shape=box style=filled]
	119 -> "252 | CO[C@@H]1CNCC[C@@H]1N[O-]" [label=""]
	"253 | CO[C@H]1CCCNC1" [color=lightyellow shape=box style=filled]
	120 -> "253 | CO[C@H]1CCCNC1" [label=""]
	"254 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	120 -> "254 | CC(C)(C)OC(N)=O" [label=""]
	"255 | COCCNCCC(N)=O" [color=lightyellow shape=box style=filled]
	121 -> "255 | COCCNCCC(N)=O" [label=""]
	"256 | CO[C@@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	122 -> "256 | CO[C@@H]1CNCC[C@@H]1NC(=O)OC(C)(C)C" [label=""]
	"257 | COCCN" [color=lightyellow shape=box style=filled]
	123 -> "257 | COCCN" [label=""]
	"258 | NCCCBr" [color=lightyellow shape=box style=filled]
	123 -> "258 | NCCCBr" [label=""]
	"259 | CO[C@@H]1CNCC[C@@H]1N=O" [color=lightgrey shape=box style=filled]
	124 -> "259 | CO[C@@H]1CNCC[C@@H]1N=O" [label=""]
}
