digraph G {
	rankdir=LR
	node [shape=box]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" -> 10 [label=0.000]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" [color=lightblue shape=box style=filled]
	1 -> "2 | NC(CO)Cc1c[nH]c2cccnc12" [label=""]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" [color=lightblue shape=box style=filled]
	1 -> "3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" [label=""]
	"4 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	2 -> "4 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"5 | COc1ccc(B(O)O)cc1F" [color=lightyellow shape=box style=filled]
	2 -> "5 | COc1ccc(B(O)O)cc1F" [label=""]
	"6 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	3 -> "6 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"7 | COc1ccc(B(O)O)cc1F" [color=lightyellow shape=box style=filled]
	3 -> "7 | COc1ccc(B(O)O)cc1F" [label=""]
	"8 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	4 -> "8 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"9 | COc1ccc(B(O)O)cc1F" [color=lightyellow shape=box style=filled]
	4 -> "9 | COc1ccc(B(O)O)cc1F" [label=""]
	"10 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	5 -> "10 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"11 | COc1ccc(I)cc1F" [color=lightyellow shape=box style=filled]
	5 -> "11 | COc1ccc(I)cc1F" [label=""]
	"12 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	6 -> "12 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"13 | COc1ccc(Br)cc1F" [color=lightyellow shape=box style=filled]
	6 -> "13 | COc1ccc(Br)cc1F" [label=""]
	"14 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	7 -> "14 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"15 | COc1ccc(Br)cc1F" [color=lightyellow shape=box style=filled]
	7 -> "15 | COc1ccc(Br)cc1F" [label=""]
	"16 | COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F" [color=lightyellow shape=box style=filled]
	8 -> "16 | COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F" [label=""]
	"17 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	8 -> "17 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"18 | COc1ccccc1F" [color=lightyellow shape=box style=filled]
	9 -> "18 | COc1ccccc1F" [label=""]
	"19 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [color=lightgrey shape=box style=filled]
	9 -> "19 | COc1ccc2nc(Cl)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1" [label=""]
	"20 | COc1ccc(B(O)O)cc1F" [color=lightyellow shape=box style=filled]
	10 -> "20 | COc1ccc(B(O)O)cc1F" [label=""]
	"21 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cc(Br)cnc34)c2c1" [color=lightgrey shape=box style=filled]
	10 -> "21 | COc1ccc2ncnc(C(=O)NC(CO)Cc3c[nH]c4cc(Br)cnc34)c2c1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 12 [label=0.000]
	13 [color=lightblue shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 13 [label=0.000]
	14 [color=lightblue shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 16 [label=0.000]
	17 [color=lightblue shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"2 | NC(CO)Cc1c[nH]c2cccnc12" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 21 [label=0.000]
	22 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 25 [label=0.000]
	26 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 26 [label=0.000]
	27 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 29 [label=0.000]
	30 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1" -> 30 [label=0.000]
	"22 | NC(CO)CBr" [color=lightgrey shape=box style=filled]
	11 -> "22 | NC(CO)CBr" [label=""]
	"23 | c1cnc2cc[nH]c2c1" [color=lightyellow shape=box style=filled]
	11 -> "23 | c1cnc2cc[nH]c2c1" [label=""]
	"24 | NCCO" [color=lightyellow shape=box style=filled]
	12 -> "24 | NCCO" [label=""]
	"25 | BrCc1c[nH]c2cccnc12" [color=lightgrey shape=box style=filled]
	12 -> "25 | BrCc1c[nH]c2cccnc12" [label=""]
	"26 | c1cnc2cc[nH]c2c1" [color=lightyellow shape=box style=filled]
	13 -> "26 | c1cnc2cc[nH]c2c1" [label=""]
	"27 | NC(CO)CCl" [color=lightyellow shape=box style=filled]
	13 -> "27 | NC(CO)CCl" [label=""]
	"28 | CC(N)CO" [color=lightyellow shape=box style=filled]
	14 -> "28 | CC(N)CO" [label=""]
	"29 | Brc1c[nH]c2cccnc12" [color=lightyellow shape=box style=filled]
	14 -> "29 | Brc1c[nH]c2cccnc12" [label=""]
	"30 | c1cnc2cc[nH]c2c1" [color=lightyellow shape=box style=filled]
	15 -> "30 | c1cnc2cc[nH]c2c1" [label=""]
	"31 | NC(C=O)CO" [color=lightgrey shape=box style=filled]
	15 -> "31 | NC(C=O)CO" [label=""]
	"32 | OCCCc1c[nH]c2cccnc12" [color=lightgrey shape=box style=filled]
	16 -> "32 | OCCCc1c[nH]c2cccnc12" [label=""]
	"33 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	16 -> "33 | CC(C)(C)OC(N)=O" [label=""]
	"34 | CC(N)CO" [color=lightyellow shape=box style=filled]
	17 -> "34 | CC(N)CO" [label=""]
	"35 | CC(C)(C)OC(=O)n1ccc2ncccc21" [color=lightyellow shape=box style=filled]
	17 -> "35 | CC(C)(C)OC(=O)n1ccc2ncccc21" [label=""]
	"36 | CC(C)(C)OC(=O)NC(CO)Cc1c[nH]c2cccnc12" [color=lightgrey shape=box style=filled]
	18 -> "36 | CC(C)(C)OC(=O)NC(CO)Cc1c[nH]c2cccnc12" [label=""]
	"37 | CC(C)(C)OC(=O)n1cc(CC(N)CO)c2ncccc21" [color=lightgrey shape=box style=filled]
	19 -> "37 | CC(C)(C)OC(=O)n1cc(CC(N)CO)c2ncccc21" [label=""]
	"38 | NC(C=O)Cc1c[nH]c2cccnc12" [color=lightgrey shape=box style=filled]
	20 -> "38 | NC(C=O)Cc1c[nH]c2cccnc12" [label=""]
	"39 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [color=lightgrey shape=box style=filled]
	21 -> "39 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [label=""]
	"40 | COc1ccc(B(O)O)cc1F" [color=lightyellow shape=box style=filled]
	21 -> "40 | COc1ccc(B(O)O)cc1F" [label=""]
	"41 | COc1ccc2ncnc(C(=O)O)c2c1" [color=lightyellow shape=box style=filled]
	22 -> "41 | COc1ccc2ncnc(C(=O)O)c2c1" [label=""]
	"42 | COc1ccc(B(O)O)cc1F" [color=lightyellow shape=box style=filled]
	22 -> "42 | COc1ccc(B(O)O)cc1F" [label=""]
	"43 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [color=lightgrey shape=box style=filled]
	23 -> "43 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [label=""]
	"44 | COc1ccc(B(O)O)cc1F" [color=lightyellow shape=box style=filled]
	23 -> "44 | COc1ccc(B(O)O)cc1F" [label=""]
	"45 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [color=lightgrey shape=box style=filled]
	24 -> "45 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [label=""]
	"46 | COc1ccc(Br)cc1F" [color=lightyellow shape=box style=filled]
	24 -> "46 | COc1ccc(Br)cc1F" [label=""]
	"47 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [color=lightgrey shape=box style=filled]
	25 -> "47 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [label=""]
	"48 | COc1ccccc1F" [color=lightyellow shape=box style=filled]
	25 -> "48 | COc1ccccc1F" [label=""]
	"49 | COc1ccc2ncnc(C(=O)O)c2c1" [color=lightyellow shape=box style=filled]
	26 -> "49 | COc1ccc2ncnc(C(=O)O)c2c1" [label=""]
	"50 | COc1ccc(Br)cc1F" [color=lightyellow shape=box style=filled]
	26 -> "50 | COc1ccc(Br)cc1F" [label=""]
	"51 | COc1ccc2ncnc(C(=O)O)c2c1" [color=lightyellow shape=box style=filled]
	27 -> "51 | COc1ccc2ncnc(C(=O)O)c2c1" [label=""]
	"52 | COc1ccc(I)cc1F" [color=lightyellow shape=box style=filled]
	27 -> "52 | COc1ccc(I)cc1F" [label=""]
	"53 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [color=lightgrey shape=box style=filled]
	28 -> "53 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [label=""]
	"54 | COc1ccc(I)cc1F" [color=lightyellow shape=box style=filled]
	28 -> "54 | COc1ccc(I)cc1F" [label=""]
	"55 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [color=lightgrey shape=box style=filled]
	29 -> "55 | COc1ccc2nc(Cl)nc(C(=O)O)c2c1" [label=""]
	"56 | COc1ccc(Br)cc1F" [color=lightyellow shape=box style=filled]
	29 -> "56 | COc1ccc(Br)cc1F" [label=""]
	"57 | COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F" [color=lightyellow shape=box style=filled]
	30 -> "57 | COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F" [label=""]
	"58 | COc1ccc2ncnc(C(=O)O)c2c1" [color=lightyellow shape=box style=filled]
	30 -> "58 | COc1ccc2ncnc(C(=O)O)c2c1" [label=""]
}
