digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 10 [label=0.000]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightblue shape=box style=filled]
	1 -> "2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"3 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	1 -> "3 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=aquamarine shape=box style=filled]
	2 -> "4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"5 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	2 -> "5 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"6 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	3 -> "6 | FC(F)(F)Cn1cncn1" [label=""]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	3 -> "7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" [label=""]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=aquamarine shape=box style=filled]
	4 -> "8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"9 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	4 -> "9 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"10 | CC(C)(C)OC(=O)N1CC=CCC1" [color=lightyellow shape=box style=filled]
	5 -> "10 | CC(C)(C)OC(=O)N1CC=CCC1" [label=""]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=aquamarine shape=box style=filled]
	5 -> "11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=aquamarine shape=box style=filled]
	6 -> "12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"13 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	6 -> "13 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"14 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	7 -> "14 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" [color=aquamarine shape=box style=filled]
	7 -> "15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" [label=""]
	"16 | FC(F)(F)Cn1ncnc1Br" [color=lightblue shape=box style=filled]
	8 -> "16 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	8 -> "17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" [label=""]
	"18 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	9 -> "18 | FC(F)(F)Cn1cncn1" [label=""]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	9 -> "19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" [label=""]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	10 -> "20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" [label=""]
	"21 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	10 -> "21 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 11 [label=0.000]
	12 [color=lightblue shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"2 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"8 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"11 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"15 | OB(O)c1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2" -> 79 [label=0.000]
	80 [color=lightblue shape=rarrow style=filled]
	"16 | FC(F)(F)Cn1ncnc1Br" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"16 | FC(F)(F)Cn1ncnc1Br" -> 81 [label=0.000]
	82 [color=lightblue shape=rarrow style=filled]
	"16 | FC(F)(F)Cn1ncnc1Br" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"16 | FC(F)(F)Cn1ncnc1Br" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 108 [label=0.000]
	109 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 109 [label=0.000]
	110 [color=aquamarine shape=rarrow style=filled]
	"20 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" -> 110 [label=0.000]
	"22 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	11 -> "22 | FC(F)(F)Cn1cncn1" [label=""]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=aquamarine shape=box style=filled]
	11 -> "23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"24 | FC(F)(F)Cn1ncnc1Br" [color=lightblue shape=box style=filled]
	12 -> "24 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightblue shape=box style=filled]
	12 -> "25 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"26 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	13 -> "26 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"27 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	14 -> "27 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [label=""]
	"28 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	15 -> "28 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"29 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	15 -> "29 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"30 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	16 -> "30 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"31 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	16 -> "31 | FC(F)(F)Cn1cncn1" [label=""]
	"32 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	17 -> "32 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"33 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	17 -> "33 | FC(F)(F)CI" [label=""]
	"34 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	18 -> "34 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"35 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	18 -> "35 | FC(F)(F)Cn1cncn1" [label=""]
	"36 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	19 -> "36 | O=C1CCC(=O)N1Br" [label=""]
	"37 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	19 -> "37 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"38 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	20 -> "38 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"39 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	21 -> "39 | FC(F)(F)Cn1cncn1" [label=""]
	"40 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	21 -> "40 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"41 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	22 -> "41 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"42 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	22 -> "42 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"43 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	23 -> "43 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"44 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	23 -> "44 | FC(F)(F)Cn1cncn1" [label=""]
	"45 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	24 -> "45 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"46 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	24 -> "46 | FC(F)(F)Cn1cncn1" [label=""]
	"47 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	25 -> "47 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"48 | c1ccc2c(c1)OCCc1cc(-c3ncn[nH]3)nn1-2" [color=lightgrey shape=box style=filled]
	26 -> "48 | c1ccc2c(c1)OCCc1cc(-c3ncn[nH]3)nn1-2" [label=""]
	"49 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	26 -> "49 | FC(F)(F)CI" [label=""]
	"50 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	27 -> "50 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"51 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	27 -> "51 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"52 | C=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	28 -> "52 | C=NNCC(F)(F)F" [label=""]
	"53 | NC(=O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	28 -> "53 | NC(=O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"54 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1ccccc1O" [color=lightgrey shape=box style=filled]
	29 -> "54 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1ccccc1O" [label=""]
	"55 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	30 -> "55 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"56 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	31 -> "56 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"57 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	31 -> "57 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"58 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	32 -> "58 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"59 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	32 -> "59 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"60 | CC(C)(C)OC(=O)N1CC=CCC1" [color=lightyellow shape=box style=filled]
	33 -> "60 | CC(C)(C)OC(=O)N1CC=CCC1" [label=""]
	"61 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	33 -> "61 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"62 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	34 -> "62 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"63 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	34 -> "63 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"64 | Clc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	35 -> "64 | Clc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"65 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	35 -> "65 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"66 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	36 -> "66 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"67 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	36 -> "67 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"68 | CC1(C)OB(c2ccc3c(c2)-n2nc(Br)cc2CCO3)OC1(C)C" [color=lightgrey shape=box style=filled]
	37 -> "68 | CC1(C)OB(c2ccc3c(c2)-n2nc(Br)cc2CCO3)OC1(C)C" [label=""]
	"69 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	37 -> "69 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"70 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	38 -> "70 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"71 | OB(O)c1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	38 -> "71 | OB(O)c1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"72 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	39 -> "72 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"73 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	39 -> "73 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"74 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	40 -> "74 | FC(F)(F)Cn1cncn1" [label=""]
	"75 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	40 -> "75 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"76 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	41 -> "76 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"77 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	41 -> "77 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"78 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	42 -> "78 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"79 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	43 -> "79 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [label=""]
	"80 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	44 -> "80 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"81 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	44 -> "81 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"82 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	45 -> "82 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"83 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	45 -> "83 | FC(F)(F)Cn1cncn1" [label=""]
	"84 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	46 -> "84 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"85 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	46 -> "85 | FC(F)(F)CI" [label=""]
	"86 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	47 -> "86 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"87 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	47 -> "87 | FC(F)(F)Cn1cncn1" [label=""]
	"88 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	48 -> "88 | O=C1CCC(=O)N1Br" [label=""]
	"89 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	48 -> "89 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"90 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	49 -> "90 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"91 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	50 -> "91 | FC(F)(F)Cn1cncn1" [label=""]
	"92 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	50 -> "92 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"93 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	51 -> "93 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"94 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	51 -> "94 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"95 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	52 -> "95 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"96 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	53 -> "96 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [label=""]
	"97 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	54 -> "97 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"98 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	54 -> "98 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"99 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	55 -> "99 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"100 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	55 -> "100 | FC(F)(F)Cn1cncn1" [label=""]
	"101 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	56 -> "101 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"102 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	56 -> "102 | FC(F)(F)CI" [label=""]
	"103 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	57 -> "103 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"104 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	57 -> "104 | FC(F)(F)Cn1cncn1" [label=""]
	"105 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	58 -> "105 | O=C1CCC(=O)N1Br" [label=""]
	"106 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	58 -> "106 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"107 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	59 -> "107 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"108 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	60 -> "108 | FC(F)(F)Cn1cncn1" [label=""]
	"109 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	60 -> "109 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"110 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	61 -> "110 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"111 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	61 -> "111 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"112 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	62 -> "112 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"113 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	63 -> "113 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [label=""]
	"114 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	64 -> "114 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"115 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	64 -> "115 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"116 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	65 -> "116 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"117 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	65 -> "117 | FC(F)(F)Cn1cncn1" [label=""]
	"118 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	66 -> "118 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"119 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	66 -> "119 | FC(F)(F)CI" [label=""]
	"120 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	67 -> "120 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"121 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	67 -> "121 | FC(F)(F)Cn1cncn1" [label=""]
	"122 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	68 -> "122 | O=C1CCC(=O)N1Br" [label=""]
	"123 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	68 -> "123 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"124 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	69 -> "124 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"125 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	70 -> "125 | FC(F)(F)Cn1cncn1" [label=""]
	"126 | OB(O)c1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	70 -> "126 | OB(O)c1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"127 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	71 -> "127 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"128 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	71 -> "128 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"129 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	72 -> "129 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"130 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	72 -> "130 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"131 | OB(O)c1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	73 -> "131 | OB(O)c1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"132 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	73 -> "132 | FC(F)(F)CI" [label=""]
	"133 | OB(O)c1ccc2c(c1)-n1nc(Cl)cc1CCO2" [color=lightgrey shape=box style=filled]
	74 -> "133 | OB(O)c1ccc2c(c1)-n1nc(Cl)cc1CCO2" [label=""]
	"134 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	74 -> "134 | FC(F)(F)Cn1cncn1" [label=""]
	"135 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	75 -> "135 | FC(F)(F)Cn1cncn1" [label=""]
	"136 | OB(O)c1ccc2c(c1)-n1nc(B(O)O)cc1CCO2" [color=lightgrey shape=box style=filled]
	75 -> "136 | OB(O)c1ccc2c(c1)-n1nc(B(O)O)cc1CCO2" [label=""]
	"137 | NC=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	76 -> "137 | NC=NNCC(F)(F)F" [label=""]
	"138 | O=Cc1cc2n(n1)-c1cc(B(O)O)ccc1OCC2" [color=lightgrey shape=box style=filled]
	76 -> "138 | O=Cc1cc2n(n1)-c1cc(B(O)O)ccc1OCC2" [label=""]
	"139 | NC=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	77 -> "139 | NC=NNCC(F)(F)F" [label=""]
	"140 | O=C(O)c1cc2n(n1)-c1cc(B(O)O)ccc1OCC2" [color=lightgrey shape=box style=filled]
	77 -> "140 | O=C(O)c1cc2n(n1)-c1cc(B(O)O)ccc1OCC2" [label=""]
	"141 | CCc1cc(-c2ncnn2CC(F)(F)F)n[nH]1" [color=lightgrey shape=box style=filled]
	78 -> "141 | CCc1cc(-c2ncnn2CC(F)(F)F)n[nH]1" [label=""]
	"142 | OB(O)c1ccc(O)c(Br)c1" [color=lightgrey shape=box style=filled]
	78 -> "142 | OB(O)c1ccc(O)c(Br)c1" [label=""]
	"143 | OB(O)c1ccc2c(c1)NN=C(c1ncnn1CC(F)(F)F)C=C(Cl)CCO2" [color=lightgrey shape=box style=filled]
	79 -> "143 | OB(O)c1ccc2c(c1)NN=C(c1ncnn1CC(F)(F)F)C=C(Cl)CCO2" [label=""]
	"144 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	80 -> "144 | Brc1ncn[nH]1" [label=""]
	"145 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	80 -> "145 | FC(F)(F)CI" [label=""]
	"146 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	81 -> "146 | Brc1ncn[nH]1" [label=""]
	"147 | FC(F)(F)CBr" [color=lightgrey shape=box style=filled]
	81 -> "147 | FC(F)(F)CBr" [label=""]
	"148 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	82 -> "148 | Brc1ncn[nH]1" [label=""]
	"149 | O=CC(F)(F)F" [color=lightyellow shape=box style=filled]
	82 -> "149 | O=CC(F)(F)F" [label=""]
	"150 | O=Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	83 -> "150 | O=Cn1ncnc1Br" [label=""]
	"151 | FBr" [color=lightgrey shape=box style=filled]
	83 -> "151 | FBr" [label=""]
	"152 | FCl" [color=lightgrey shape=box style=filled]
	83 -> "152 | FCl" [label=""]
	"153 | O=C(F)Br" [color=lightgrey shape=box style=filled]
	83 -> "153 | O=C(F)Br" [label=""]
	"154 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	84 -> "154 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"155 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	84 -> "155 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"156 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	85 -> "156 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"157 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	85 -> "157 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"158 | Clc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	86 -> "158 | Clc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"159 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	86 -> "159 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"160 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	87 -> "160 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"161 | CC1(C)OB(c2ccc3c(c2)-n2nccc2CCO3)OC1(C)C" [color=lightgrey shape=box style=filled]
	87 -> "161 | CC1(C)OB(c2ccc3c(c2)-n2nccc2CCO3)OC1(C)C" [label=""]
	"162 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	88 -> "162 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"163 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	88 -> "163 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"164 | CC(C)(C)OC(=O)N1CC=CCC1" [color=lightyellow shape=box style=filled]
	89 -> "164 | CC(C)(C)OC(=O)N1CC=CCC1" [label=""]
	"165 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	89 -> "165 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"166 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	90 -> "166 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"167 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	90 -> "167 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"168 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	91 -> "168 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"169 | C1=C(c2ccc3c(c2)-n2nccc2CCO3)CCNC1" [color=lightgrey shape=box style=filled]
	91 -> "169 | C1=C(c2ccc3c(c2)-n2nccc2CCO3)CCNC1" [label=""]
	"170 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	92 -> "170 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"171 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	92 -> "171 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"172 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	93 -> "172 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"173 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	93 -> "173 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"174 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	94 -> "174 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"175 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	94 -> "175 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"176 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	95 -> "176 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"177 | CC(C)(C)OC(=O)N1CC=CCC1" [color=lightyellow shape=box style=filled]
	95 -> "177 | CC(C)(C)OC(=O)N1CC=CCC1" [label=""]
	"178 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	96 -> "178 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"179 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	96 -> "179 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"180 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	97 -> "180 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"181 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	97 -> "181 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"182 | OB(O)c1ccc2c(c1)-n1nc(Cl)cc1CCO2" [color=lightgrey shape=box style=filled]
	98 -> "182 | OB(O)c1ccc2c(c1)-n1nc(Cl)cc1CCO2" [label=""]
	"183 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	98 -> "183 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"184 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	99 -> "184 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"185 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [color=lightyellow shape=box style=filled]
	99 -> "185 | CC(C)(C)OC(=O)N1CC=C(Br)CC1" [label=""]
	"186 | CC(C)(C)OC(=O)N1CC=CCC1=O" [color=lightgrey shape=box style=filled]
	100 -> "186 | CC(C)(C)OC(=O)N1CC=CCC1=O" [label=""]
	"187 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	100 -> "187 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"188 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	101 -> "188 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"189 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [color=lightyellow shape=box style=filled]
	101 -> "189 | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1" [label=""]
	"190 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	102 -> "190 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"191 | CC1(C)OB(C2=CCNCC2)OC1(C)C" [color=lightyellow shape=box style=filled]
	102 -> "191 | CC1(C)OB(C2=CCNCC2)OC1(C)C" [label=""]
	"192 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	103 -> "192 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"193 | BrC1=CCNCC1" [color=lightyellow shape=box style=filled]
	103 -> "193 | BrC1=CCNCC1" [label=""]
	"194 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	104 -> "194 | FC(F)(F)Cn1cncn1" [label=""]
	"195 | Brc1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	104 -> "195 | Brc1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" [label=""]
	"196 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	105 -> "196 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"197 | CC1(C)OB(C2=CCNCC2)OC1(C)C" [color=lightyellow shape=box style=filled]
	105 -> "197 | CC1(C)OB(C2=CCNCC2)OC1(C)C" [label=""]
	"198 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	106 -> "198 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"199 | C1=CCNCC1" [color=lightyellow shape=box style=filled]
	106 -> "199 | C1=CCNCC1" [label=""]
	"200 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	107 -> "200 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"201 | CC1(C)OB(C2=CCNCC2)OC1(C)C" [color=lightyellow shape=box style=filled]
	107 -> "201 | CC1(C)OB(C2=CCNCC2)OC1(C)C" [label=""]
	"202 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	108 -> "202 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"203 | C1=C(c2ccc3c(c2)-n2nccc2CCO3)CCNC1" [color=lightgrey shape=box style=filled]
	108 -> "203 | C1=C(c2ccc3c(c2)-n2nccc2CCO3)CCNC1" [label=""]
	"204 | OB(O)C1=CCNCC1" [color=lightyellow shape=box style=filled]
	109 -> "204 | OB(O)C1=CCNCC1" [label=""]
	"205 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	109 -> "205 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"206 | Clc1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	110 -> "206 | Clc1cc2n(n1)-c1cc(C3=CCNCC3)ccc1OCC2" [label=""]
	"207 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	110 -> "207 | FC(F)(F)Cn1cncn1" [label=""]
	111 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 113 [label=0.000]
	114 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 116 [label=0.000]
	117 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"23 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 120 [label=0.000]
	121 [color=lightblue shape=rarrow style=filled]
	"24 | FC(F)(F)Cn1ncnc1Br" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"24 | FC(F)(F)Cn1ncnc1Br" -> 122 [label=0.000]
	123 [color=lightblue shape=rarrow style=filled]
	"24 | FC(F)(F)Cn1ncnc1Br" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"24 | FC(F)(F)Cn1ncnc1Br" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 129 [label=0.000]
	130 [color=aquamarine shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 130 [label=0.000]
	131 [color=lightblue shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 131 [label=0.000]
	132 [color=lightblue shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 132 [label=0.000]
	133 [color=aquamarine shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 133 [label=0.000]
	134 [color=lightblue shape=rarrow style=filled]
	"25 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 134 [label=0.000]
	"208 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCBr" [color=lightgrey shape=box style=filled]
	111 -> "208 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCBr" [label=""]
	"209 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	112 -> "209 | O=C1CCC(=O)N1Br" [label=""]
	"210 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	112 -> "210 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"211 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	113 -> "211 | O=C1CCC(=O)N1Br" [label=""]
	"212 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	113 -> "212 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"213 | OCCc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	114 -> "213 | OCCc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"214 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCCl" [color=lightgrey shape=box style=filled]
	115 -> "214 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCCl" [label=""]
	"215 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	116 -> "215 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"216 | CI" [color=lightyellow shape=box style=filled]
	116 -> "216 | CI" [label=""]
	"217 | C=Cc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	117 -> "217 | C=Cc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"218 | OCCc1cc(Br)nn1-c1cc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	118 -> "218 | OCCc1cc(Br)nn1-c1cc(Br)ccc1Br" [label=""]
	"219 | ClC1=CC(Br)=NNc2cc(Br)ccc2OCC1" [color=lightgrey shape=box style=filled]
	119 -> "219 | ClC1=CC(Br)=NNc2cc(Br)ccc2OCC1" [label=""]
	"220 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	120 -> "220 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"221 | CO" [color=lightyellow shape=box style=filled]
	120 -> "221 | CO" [label=""]
	"222 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	121 -> "222 | Brc1ncn[nH]1" [label=""]
	"223 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	121 -> "223 | FC(F)(F)CI" [label=""]
	"224 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	122 -> "224 | Brc1ncn[nH]1" [label=""]
	"225 | FC(F)(F)CBr" [color=lightgrey shape=box style=filled]
	122 -> "225 | FC(F)(F)CBr" [label=""]
	"226 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	123 -> "226 | Brc1ncn[nH]1" [label=""]
	"227 | O=CC(F)(F)F" [color=lightyellow shape=box style=filled]
	123 -> "227 | O=CC(F)(F)F" [label=""]
	"228 | O=Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	124 -> "228 | O=Cn1ncnc1Br" [label=""]
	"229 | FBr" [color=lightgrey shape=box style=filled]
	124 -> "229 | FBr" [label=""]
	"230 | FCl" [color=lightgrey shape=box style=filled]
	124 -> "230 | FCl" [label=""]
	"231 | O=C(F)Br" [color=lightgrey shape=box style=filled]
	124 -> "231 | O=C(F)Br" [label=""]
	"232 | OCCc1ccnn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	125 -> "232 | OCCc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"233 | Oc1ccc(Br)cc1-n1nccc1CCBr" [color=lightgrey shape=box style=filled]
	126 -> "233 | Oc1ccc(Br)cc1-n1nccc1CCBr" [label=""]
	"234 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	127 -> "234 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"235 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	127 -> "235 | O=C1CCC(=O)N1Br" [label=""]
	"236 | Oc1ccc(Br)cc1-n1nccc1CCI" [color=lightgrey shape=box style=filled]
	128 -> "236 | Oc1ccc(Br)cc1-n1nccc1CCI" [label=""]
	"237 | O=C(O)Cc1ccnn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	129 -> "237 | O=C(O)Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"238 | Oc1ccc(Br)cc1-n1nccc1CCCl" [color=lightgrey shape=box style=filled]
	130 -> "238 | Oc1ccc(Br)cc1-n1nccc1CCCl" [label=""]
	"239 | CI" [color=lightyellow shape=box style=filled]
	131 -> "239 | CI" [label=""]
	"240 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	131 -> "240 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"241 | CO" [color=lightyellow shape=box style=filled]
	132 -> "241 | CO" [label=""]
	"242 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	132 -> "242 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"243 | OCCc1ccnn1-c1cc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	133 -> "243 | OCCc1ccnn1-c1cc(Br)ccc1Br" [label=""]
	"244 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	134 -> "244 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"245 | C[Mg+]" [color=lightyellow shape=box style=filled]
	134 -> "245 | C[Mg+]" [label=""]
}
