digraph G {
	rankdir=LR
	node [shape=box]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | OCCN1CCC(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 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	1 -> "3 | OCCN1CCCCC1" [label=""]
	"4 | OCCBr" [color=lightyellow shape=box style=filled]
	2 -> "4 | OCCBr" [label=""]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	2 -> "5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"6 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	3 -> "6 | FC(F)(F)Cn1cncn1" [label=""]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	3 -> "7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" [label=""]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	4 -> "8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" [label=""]
	"9 | FC(F)(F)Cn1ncnc1Br" [color=lightblue shape=box style=filled]
	4 -> "9 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"10 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	5 -> "10 | FC(F)(F)Cn1cncn1" [label=""]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	5 -> "11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" [label=""]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	6 -> "12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"13 | OCCCl" [color=lightblue shape=box style=filled]
	6 -> "13 | OCCCl" [label=""]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	7 -> "14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" [label=""]
	"15 | FC(F)(F)Cn1ncnc1Cl" [color=lightblue shape=box style=filled]
	7 -> "15 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"16 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	8 -> "16 | FC(F)(F)Cn1cncn1" [label=""]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" [color=aquamarine shape=box style=filled]
	8 -> "17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" [label=""]
	"18 | O=CCO" [color=lightblue shape=box style=filled]
	9 -> "18 | O=CCO" [label=""]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	9 -> "19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"20 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	10 -> "20 | C1CCNCC1" [label=""]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=aquamarine shape=box style=filled]
	10 -> "21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"22 | CCO" [color=lightyellow shape=box style=filled]
	10 -> "22 | CCO" [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]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"5 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"7 | OCCN1CCC(c2ccc3c(c2)-n2nc(Br)cc2CCO3)CC1" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"8 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 50 [label=0.000]
	51 [color=lightblue shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1Br" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1Br" -> 52 [label=0.000]
	53 [color=lightblue shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1Br" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1Br" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"11 | OCCN1CCC(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)CC1" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"12 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 74 [label=0.000]
	75 [color=lightblue shape=rarrow style=filled]
	"13 | OCCCl" -> 75 [label=0.000]
	76 [color=lightblue shape=rarrow style=filled]
	"13 | OCCCl" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"13 | OCCCl" -> 77 [label=0.000]
	78 [color=lightblue shape=rarrow style=filled]
	"13 | OCCCl" -> 78 [label=0.000]
	79 [color=lightblue shape=rarrow style=filled]
	"13 | OCCCl" -> 79 [label=0.000]
	80 [color=lightblue shape=rarrow style=filled]
	"13 | OCCCl" -> 80 [label=0.000]
	81 [color=lightblue shape=rarrow style=filled]
	"13 | OCCCl" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"13 | OCCCl" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"13 | OCCCl" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"13 | OCCCl" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"14 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" -> 94 [label=0.000]
	95 [color=lightblue shape=rarrow style=filled]
	"15 | FC(F)(F)Cn1ncnc1Cl" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"15 | FC(F)(F)Cn1ncnc1Cl" -> 96 [label=0.000]
	97 [color=lightblue shape=rarrow style=filled]
	"15 | FC(F)(F)Cn1ncnc1Cl" -> 97 [label=0.000]
	98 [color=lightblue shape=rarrow style=filled]
	"15 | FC(F)(F)Cn1ncnc1Cl" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"17 | OCCN1CCC(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)CC1" -> 108 [label=0.000]
	109 [color=aquamarine shape=rarrow style=filled]
	"18 | O=CCO" -> 109 [label=0.000]
	110 [color=lightblue shape=rarrow style=filled]
	"18 | O=CCO" -> 110 [label=0.000]
	111 [color=aquamarine shape=rarrow style=filled]
	"18 | O=CCO" -> 111 [label=0.000]
	112 [color=lightblue shape=rarrow style=filled]
	"18 | O=CCO" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"18 | O=CCO" -> 113 [label=0.000]
	114 [color=lightblue shape=rarrow style=filled]
	"18 | O=CCO" -> 114 [label=0.000]
	115 [color=lightblue shape=rarrow style=filled]
	"18 | O=CCO" -> 115 [label=0.000]
	116 [color=lightblue shape=rarrow style=filled]
	"18 | O=CCO" -> 116 [label=0.000]
	117 [color=lightblue shape=rarrow style=filled]
	"18 | O=CCO" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 120 [label=0.000]
	121 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 122 [label=0.000]
	123 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"19 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 129 [label=0.000]
	130 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 130 [label=0.000]
	131 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 131 [label=0.000]
	132 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 132 [label=0.000]
	133 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 133 [label=0.000]
	134 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 134 [label=0.000]
	135 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 135 [label=0.000]
	136 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 136 [label=0.000]
	137 [color=aquamarine shape=rarrow style=filled]
	"21 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 137 [label=0.000]
	"23 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	11 -> "23 | FC(F)(F)Cn1cncn1" [label=""]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=aquamarine shape=box style=filled]
	11 -> "24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"25 | FC(F)(F)Cn1ncnc1Br" [color=lightblue shape=box style=filled]
	12 -> "25 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightblue shape=box style=filled]
	12 -> "26 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"27 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	13 -> "27 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"28 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	14 -> "28 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [label=""]
	"29 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	15 -> "29 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"30 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	15 -> "30 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"31 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	16 -> "31 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"32 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	16 -> "32 | FC(F)(F)Cn1cncn1" [label=""]
	"33 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	17 -> "33 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"34 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	17 -> "34 | FC(F)(F)CI" [label=""]
	"35 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	18 -> "35 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"36 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	18 -> "36 | FC(F)(F)Cn1cncn1" [label=""]
	"37 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	19 -> "37 | O=C1CCC(=O)N1Br" [label=""]
	"38 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	19 -> "38 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"39 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	20 -> "39 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"40 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	21 -> "40 | FC(F)(F)Cn1cncn1" [label=""]
	"41 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	21 -> "41 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"42 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	22 -> "42 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"43 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	22 -> "43 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"44 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	23 -> "44 | FC(F)(F)Cn1cncn1" [label=""]
	"45 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	23 -> "45 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"46 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	24 -> "46 | BrC1CCNCC1" [label=""]
	"47 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	24 -> "47 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"48 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	25 -> "48 | FC(F)(F)Cn1cncn1" [label=""]
	"49 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	25 -> "49 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"50 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	26 -> "50 | C1CCNCC1" [label=""]
	"51 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	26 -> "51 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"52 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	27 -> "52 | C1CCNCC1" [label=""]
	"53 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	27 -> "53 | FC(F)(F)Cn1cncn1" [label=""]
	"54 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	27 -> "54 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"55 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	28 -> "55 | C1CCNCC1" [label=""]
	"56 | Clc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	28 -> "56 | Clc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"57 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	28 -> "57 | FC(F)(F)Cn1cncn1" [label=""]
	"58 | C=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	29 -> "58 | C=NNCC(F)(F)F" [label=""]
	"59 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	29 -> "59 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"60 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	30 -> "60 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"61 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	30 -> "61 | OB(O)C1CCNCC1" [label=""]
	"62 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	31 -> "62 | OCCN1CCCCC1" [label=""]
	"63 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	31 -> "63 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"64 | OCCBr" [color=lightyellow shape=box style=filled]
	32 -> "64 | OCCBr" [label=""]
	"65 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	32 -> "65 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"66 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	33 -> "66 | OCCN1CCC(Br)CC1" [label=""]
	"67 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	33 -> "67 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"68 | Clc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	34 -> "68 | Clc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"69 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	34 -> "69 | OCCN1CCCCC1" [label=""]
	"70 | O=C1CCN(CCO)CC1" [color=lightyellow shape=box style=filled]
	35 -> "70 | O=C1CCN(CCO)CC1" [label=""]
	"71 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	35 -> "71 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"72 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	36 -> "72 | OCCN1CCCCC1" [label=""]
	"73 | CC1(C)OB(c2ccc3c(c2)-n2nc(Br)cc2CCO3)OC1(C)C" [color=lightgrey shape=box style=filled]
	36 -> "73 | CC1(C)OB(c2ccc3c(c2)-n2nc(Br)cc2CCO3)OC1(C)C" [label=""]
	"74 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	37 -> "74 | OCCN1CCC(Br)CC1" [label=""]
	"75 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	37 -> "75 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"76 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	38 -> "76 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"77 | OCCCl" [color=lightgrey shape=box style=filled]
	38 -> "77 | OCCCl" [label=""]
	"78 | O=C1CCN(CCO)CC1" [color=lightyellow shape=box style=filled]
	39 -> "78 | O=C1CCN(CCO)CC1" [label=""]
	"79 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	39 -> "79 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"80 | O=CCO" [color=lightgrey shape=box style=filled]
	40 -> "80 | O=CCO" [label=""]
	"81 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	40 -> "81 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"82 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	41 -> "82 | OCCN1CCCCC1" [label=""]
	"83 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	41 -> "83 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"84 | OCCBr" [color=lightyellow shape=box style=filled]
	42 -> "84 | OCCBr" [label=""]
	"85 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	42 -> "85 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"86 | Clc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	43 -> "86 | Clc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"87 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	43 -> "87 | OCCN1CCCCC1" [label=""]
	"88 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	44 -> "88 | OCCN1CCCCC1" [label=""]
	"89 | CC1(C)OB(c2ccc3c(c2)-n2nccc2CCO3)OC1(C)C" [color=lightgrey shape=box style=filled]
	44 -> "89 | CC1(C)OB(c2ccc3c(c2)-n2nccc2CCO3)OC1(C)C" [label=""]
	"90 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	45 -> "90 | OCCN1CCCCC1" [label=""]
	"91 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	45 -> "91 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"92 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	46 -> "92 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"93 | OCCCl" [color=lightgrey shape=box style=filled]
	46 -> "93 | OCCCl" [label=""]
	"94 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	47 -> "94 | OCCN1CCC(Br)CC1" [label=""]
	"95 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	47 -> "95 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"96 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	48 -> "96 | OCCN1CCC(Br)CC1" [label=""]
	"97 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	48 -> "97 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"98 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	49 -> "98 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"99 | O=CCO" [color=lightgrey shape=box style=filled]
	49 -> "99 | O=CCO" [label=""]
	"100 | [c]1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	50 -> "100 | [c]1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"101 | [CH]1CC[N]CC1" [color=lightgrey shape=box style=filled]
	50 -> "101 | [CH]1CC[N]CC1" [label=""]
	"102 | [CH2]CO" [color=lightgrey shape=box style=filled]
	50 -> "102 | [CH2]CO" [label=""]
	"103 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	51 -> "103 | Brc1ncn[nH]1" [label=""]
	"104 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	51 -> "104 | FC(F)(F)CI" [label=""]
	"105 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	52 -> "105 | Brc1ncn[nH]1" [label=""]
	"106 | FC(F)(F)CBr" [color=lightgrey shape=box style=filled]
	52 -> "106 | FC(F)(F)CBr" [label=""]
	"107 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	53 -> "107 | Brc1ncn[nH]1" [label=""]
	"108 | O=CC(F)(F)F" [color=lightyellow shape=box style=filled]
	53 -> "108 | O=CC(F)(F)F" [label=""]
	"109 | O=Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	54 -> "109 | O=Cn1ncnc1Br" [label=""]
	"110 | FBr" [color=lightgrey shape=box style=filled]
	54 -> "110 | FBr" [label=""]
	"111 | FCl" [color=lightgrey shape=box style=filled]
	54 -> "111 | FCl" [label=""]
	"112 | O=C(F)Br" [color=lightgrey shape=box style=filled]
	54 -> "112 | O=C(F)Br" [label=""]
	"113 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	55 -> "113 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"114 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	55 -> "114 | OCCN1CCCCC1" [label=""]
	"115 | OCCBr" [color=lightyellow shape=box style=filled]
	56 -> "115 | OCCBr" [label=""]
	"116 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	56 -> "116 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"117 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	57 -> "117 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"118 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	57 -> "118 | OCCN1CCC(Br)CC1" [label=""]
	"119 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	58 -> "119 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"120 | OCCCl" [color=lightgrey shape=box style=filled]
	58 -> "120 | OCCCl" [label=""]
	"121 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	59 -> "121 | OCCN1CCCCC1" [label=""]
	"122 | CC1(C)OB(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)OC1(C)C" [color=lightgrey shape=box style=filled]
	59 -> "122 | CC1(C)OB(c2ccc3c(c2)-n2nc(Cl)cc2CCO3)OC1(C)C" [label=""]
	"123 | Clc1ccc2c(c1)-n1nc(Cl)cc1CCO2" [color=lightgrey shape=box style=filled]
	60 -> "123 | Clc1ccc2c(c1)-n1nc(Cl)cc1CCO2" [label=""]
	"124 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	60 -> "124 | OCCN1CCCCC1" [label=""]
	"125 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" [color=lightgrey shape=box style=filled]
	61 -> "125 | OCCN1CCC(c2ccc3c(c2)-n2nccc2CCO3)CC1" [label=""]
	"126 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	61 -> "126 | O=C1CCC(=O)N1Cl" [label=""]
	"127 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	62 -> "127 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"128 | O=C1CCN(CCO)CC1" [color=lightyellow shape=box style=filled]
	62 -> "128 | O=C1CCN(CCO)CC1" [label=""]
	"129 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	63 -> "129 | C1CCNCC1" [label=""]
	"130 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	63 -> "130 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"131 | CCO" [color=lightyellow shape=box style=filled]
	63 -> "131 | CCO" [label=""]
	"132 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	64 -> "132 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"133 | O=CCO" [color=lightgrey shape=box style=filled]
	64 -> "133 | O=CCO" [label=""]
	"134 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	65 -> "134 | FC(F)(F)Cn1cncn1" [label=""]
	"135 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	65 -> "135 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"136 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	66 -> "136 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"137 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	66 -> "137 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"138 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	67 -> "138 | FC(F)(F)Cn1cncn1" [label=""]
	"139 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	67 -> "139 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"140 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	68 -> "140 | BrC1CCNCC1" [label=""]
	"141 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	68 -> "141 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"142 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	69 -> "142 | FC(F)(F)Cn1cncn1" [label=""]
	"143 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	69 -> "143 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"144 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	70 -> "144 | C1CCNCC1" [label=""]
	"145 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	70 -> "145 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"146 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	71 -> "146 | C1CCNCC1" [label=""]
	"147 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	71 -> "147 | FC(F)(F)Cn1cncn1" [label=""]
	"148 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	71 -> "148 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"149 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	72 -> "149 | C1CCNCC1" [label=""]
	"150 | Clc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	72 -> "150 | Clc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"151 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	72 -> "151 | FC(F)(F)Cn1cncn1" [label=""]
	"152 | C=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	73 -> "152 | C=NNCC(F)(F)F" [label=""]
	"153 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	73 -> "153 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"154 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	74 -> "154 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"155 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	74 -> "155 | OB(O)C1CCNCC1" [label=""]
	"156 | CO" [color=lightyellow shape=box style=filled]
	75 -> "156 | CO" [label=""]
	"157 | ClCCl" [color=lightyellow shape=box style=filled]
	75 -> "157 | ClCCl" [label=""]
	"158 | CCl" [color=lightyellow shape=box style=filled]
	76 -> "158 | CCl" [label=""]
	"159 | O=CO" [color=lightyellow shape=box style=filled]
	76 -> "159 | O=CO" [label=""]
	"160 | O=C(O)CCl" [color=lightgrey shape=box style=filled]
	77 -> "160 | O=C(O)CCl" [label=""]
	"161 | CC(=O)OCCCl" [color=lightyellow shape=box style=filled]
	78 -> "161 | CC(=O)OCCCl" [label=""]
	"162 | CCl" [color=lightyellow shape=box style=filled]
	79 -> "162 | CCl" [label=""]
	"163 | C=O" [color=lightyellow shape=box style=filled]
	79 -> "163 | C=O" [label=""]
	"164 | O=CO" [color=lightyellow shape=box style=filled]
	80 -> "164 | O=CO" [label=""]
	"165 | ClCCl" [color=lightyellow shape=box style=filled]
	80 -> "165 | ClCCl" [label=""]
	"166 | ClCCOCc1ccccc1" [color=lightyellow shape=box style=filled]
	81 -> "166 | ClCCOCc1ccccc1" [label=""]
	"167 | [O]CCCl" [color=lightgrey shape=box style=filled]
	82 -> "167 | [O]CCCl" [label=""]
	"168 | O=C(OO)c1c[c]ccc1" [color=lightgrey shape=box style=filled]
	83 -> "168 | O=C(OO)c1c[c]ccc1" [label=""]
	"169 | [Cl]" [color=lightyellow shape=box style=filled]
	83 -> "169 | [Cl]" [label=""]
	"170 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	83 -> "170 | ClC(Cl)(Cl)Cl" [label=""]
	"171 | CCCl" [color=lightgrey shape=box style=filled]
	83 -> "171 | CCCl" [label=""]
	"172 | O=C(OO)c1ccccc1" [color=lightgrey shape=box style=filled]
	84 -> "172 | O=C(OO)c1ccccc1" [label=""]
	"173 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	84 -> "173 | ClC(Cl)(Cl)Cl" [label=""]
	"174 | CCCl" [color=lightgrey shape=box style=filled]
	84 -> "174 | CCCl" [label=""]
	"175 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	85 -> "175 | OCCN1CCCCC1" [label=""]
	"176 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	85 -> "176 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"177 | OCCBr" [color=lightyellow shape=box style=filled]
	86 -> "177 | OCCBr" [label=""]
	"178 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	86 -> "178 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"179 | Clc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	87 -> "179 | Clc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"180 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	87 -> "180 | OCCN1CCCCC1" [label=""]
	"181 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	88 -> "181 | OCCN1CCCCC1" [label=""]
	"182 | CC1(C)OB(c2ccc3c(c2)-n2nccc2CCO3)OC1(C)C" [color=lightgrey shape=box style=filled]
	88 -> "182 | CC1(C)OB(c2ccc3c(c2)-n2nccc2CCO3)OC1(C)C" [label=""]
	"183 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	89 -> "183 | OCCN1CCCCC1" [label=""]
	"184 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	89 -> "184 | OB(O)c1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"185 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	90 -> "185 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"186 | OCCCl" [color=lightgrey shape=box style=filled]
	90 -> "186 | OCCCl" [label=""]
	"187 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	91 -> "187 | OCCN1CCC(Br)CC1" [label=""]
	"188 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	91 -> "188 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"189 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	92 -> "189 | OCCN1CCC(Br)CC1" [label=""]
	"190 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	92 -> "190 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"191 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	93 -> "191 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"192 | O=CCO" [color=lightgrey shape=box style=filled]
	93 -> "192 | O=CCO" [label=""]
	"193 | [c]1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	94 -> "193 | [c]1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"194 | [CH]1CC[N]CC1" [color=lightgrey shape=box style=filled]
	94 -> "194 | [CH]1CC[N]CC1" [label=""]
	"195 | [CH2]CO" [color=lightgrey shape=box style=filled]
	94 -> "195 | [CH2]CO" [label=""]
	"196 | Clc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	95 -> "196 | Clc1ncn[nH]1" [label=""]
	"197 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	95 -> "197 | FC(F)(F)CI" [label=""]
	"198 | Clc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	96 -> "198 | Clc1ncn[nH]1" [label=""]
	"199 | FC(F)(F)CBr" [color=lightgrey shape=box style=filled]
	96 -> "199 | FC(F)(F)CBr" [label=""]
	"200 | Clc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	97 -> "200 | Clc1ncn[nH]1" [label=""]
	"201 | O=CC(F)(F)F" [color=lightyellow shape=box style=filled]
	97 -> "201 | O=CC(F)(F)F" [label=""]
	"202 | Clc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	98 -> "202 | Clc1ncn[nH]1" [label=""]
	"203 | OCC(F)(F)F" [color=lightyellow shape=box style=filled]
	98 -> "203 | OCC(F)(F)F" [label=""]
	"204 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	99 -> "204 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"205 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	99 -> "205 | OCCN1CCCCC1" [label=""]
	"206 | OCCBr" [color=lightyellow shape=box style=filled]
	100 -> "206 | OCCBr" [label=""]
	"207 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	100 -> "207 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"208 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	101 -> "208 | OCCN1CCC(Br)CC1" [label=""]
	"209 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	101 -> "209 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"210 | OB(O)c1cc2n(n1)-c1cc(Cl)ccc1OCC2" [color=lightgrey shape=box style=filled]
	102 -> "210 | OB(O)c1cc2n(n1)-c1cc(Cl)ccc1OCC2" [label=""]
	"211 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	102 -> "211 | OCCN1CCCCC1" [label=""]
	"212 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	103 -> "212 | OCCN1CCCCC1" [label=""]
	"213 | CC1(C)OB(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)OC1(C)C" [color=lightgrey shape=box style=filled]
	103 -> "213 | CC1(C)OB(c2ccc3c(c2)-n2nc(B(O)O)cc2CCO3)OC1(C)C" [label=""]
	"214 | OCCN1CCCCC1" [color=lightyellow shape=box style=filled]
	104 -> "214 | OCCN1CCCCC1" [label=""]
	"215 | OB(O)c1ccc2c(c1)-n1nc(B(O)O)cc1CCO2" [color=lightgrey shape=box style=filled]
	104 -> "215 | OB(O)c1ccc2c(c1)-n1nc(B(O)O)cc1CCO2" [label=""]
	"216 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	105 -> "216 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"217 | OCCCl" [color=lightgrey shape=box style=filled]
	105 -> "217 | OCCCl" [label=""]
	"218 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	106 -> "218 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"219 | OCCN1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	106 -> "219 | OCCN1CCC(Br)CC1" [label=""]
	"220 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	107 -> "220 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"221 | O=CCO" [color=lightgrey shape=box style=filled]
	107 -> "221 | O=CCO" [label=""]
	"222 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	108 -> "222 | C1CCNCC1" [label=""]
	"223 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	108 -> "223 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"224 | CCO" [color=lightyellow shape=box style=filled]
	108 -> "224 | CCO" [label=""]
	"225 | O=[C]CO" [color=lightgrey shape=box style=filled]
	109 -> "225 | O=[C]CO" [label=""]
	"226 | O=C(O)CO" [color=lightyellow shape=box style=filled]
	110 -> "226 | O=C(O)CO" [label=""]
	"227 | O=C[C]O" [color=lightgrey shape=box style=filled]
	111 -> "227 | O=C[C]O" [label=""]
	"228 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	112 -> "228 | O=CC(=O)O" [label=""]
	"229 | CC(=O)OCC=O" [color=lightgrey shape=box style=filled]
	113 -> "229 | CC(=O)OCC=O" [label=""]
	"230 | C=O" [color=lightyellow shape=box style=filled]
	114 -> "230 | C=O" [label=""]
	"231 | CO" [color=lightyellow shape=box style=filled]
	115 -> "231 | CO" [label=""]
	"232 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	115 -> "232 | CN(C)C=O" [label=""]
	"233 | O=CCOCc1ccccc1" [color=lightyellow shape=box style=filled]
	116 -> "233 | O=CCOCc1ccccc1" [label=""]
	"234 | O=CO" [color=lightyellow shape=box style=filled]
	117 -> "234 | O=CO" [label=""]
	"235 | C=O" [color=lightyellow shape=box style=filled]
	117 -> "235 | C=O" [label=""]
	"236 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	118 -> "236 | FC(F)(F)Cn1cncn1" [label=""]
	"237 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	118 -> "237 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"238 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	119 -> "238 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"239 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	119 -> "239 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"240 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	120 -> "240 | FC(F)(F)Cn1cncn1" [label=""]
	"241 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	120 -> "241 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"242 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	121 -> "242 | BrC1CCNCC1" [label=""]
	"243 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	121 -> "243 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"244 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	122 -> "244 | FC(F)(F)Cn1cncn1" [label=""]
	"245 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	122 -> "245 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"246 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	123 -> "246 | C1CCNCC1" [label=""]
	"247 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	123 -> "247 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"248 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	124 -> "248 | C1CCNCC1" [label=""]
	"249 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	124 -> "249 | FC(F)(F)Cn1cncn1" [label=""]
	"250 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	124 -> "250 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"251 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	125 -> "251 | C1CCNCC1" [label=""]
	"252 | Clc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	125 -> "252 | Clc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"253 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	125 -> "253 | FC(F)(F)Cn1cncn1" [label=""]
	"254 | C=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	126 -> "254 | C=NNCC(F)(F)F" [label=""]
	"255 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	126 -> "255 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"256 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	127 -> "256 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"257 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	127 -> "257 | OB(O)C1CCNCC1" [label=""]
	"258 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	128 -> "258 | FC(F)(F)Cn1cncn1" [label=""]
	"259 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	128 -> "259 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"260 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	129 -> "260 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"261 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	129 -> "261 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"262 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	130 -> "262 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"263 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	131 -> "263 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [label=""]
	"264 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	132 -> "264 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"265 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	132 -> "265 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"266 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	133 -> "266 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"267 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	133 -> "267 | FC(F)(F)Cn1cncn1" [label=""]
	"268 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	134 -> "268 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"269 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	134 -> "269 | FC(F)(F)CI" [label=""]
	"270 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	135 -> "270 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"271 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	135 -> "271 | FC(F)(F)Cn1cncn1" [label=""]
	"272 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	136 -> "272 | O=C1CCC(=O)N1Br" [label=""]
	"273 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	136 -> "273 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"274 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	137 -> "274 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	138 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 138 [label=0.000]
	139 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 139 [label=0.000]
	140 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 140 [label=0.000]
	141 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 141 [label=0.000]
	142 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 142 [label=0.000]
	143 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 143 [label=0.000]
	144 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 144 [label=0.000]
	145 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 145 [label=0.000]
	146 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 146 [label=0.000]
	147 [color=aquamarine shape=rarrow style=filled]
	"24 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" -> 147 [label=0.000]
	148 [color=lightblue shape=rarrow style=filled]
	"25 | FC(F)(F)Cn1ncnc1Br" -> 148 [label=0.000]
	149 [color=aquamarine shape=rarrow style=filled]
	"25 | FC(F)(F)Cn1ncnc1Br" -> 149 [label=0.000]
	150 [color=lightblue shape=rarrow style=filled]
	"25 | FC(F)(F)Cn1ncnc1Br" -> 150 [label=0.000]
	151 [color=aquamarine shape=rarrow style=filled]
	"25 | FC(F)(F)Cn1ncnc1Br" -> 151 [label=0.000]
	152 [color=aquamarine shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 152 [label=0.000]
	153 [color=aquamarine shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 153 [label=0.000]
	154 [color=aquamarine shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 154 [label=0.000]
	155 [color=aquamarine shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 155 [label=0.000]
	156 [color=aquamarine shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 156 [label=0.000]
	157 [color=aquamarine shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 157 [label=0.000]
	158 [color=lightblue shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 158 [label=0.000]
	159 [color=lightblue shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 159 [label=0.000]
	160 [color=aquamarine shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 160 [label=0.000]
	161 [color=lightblue shape=rarrow style=filled]
	"26 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 161 [label=0.000]
	"275 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCBr" [color=lightgrey shape=box style=filled]
	138 -> "275 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCBr" [label=""]
	"276 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	139 -> "276 | O=C1CCC(=O)N1Br" [label=""]
	"277 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	139 -> "277 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"278 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	140 -> "278 | O=C1CCC(=O)N1Br" [label=""]
	"279 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	140 -> "279 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"280 | OCCc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	141 -> "280 | OCCc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"281 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCCl" [color=lightgrey shape=box style=filled]
	142 -> "281 | Oc1ccc(Br)cc1-n1nc(Br)cc1CCCl" [label=""]
	"282 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	143 -> "282 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"283 | CI" [color=lightyellow shape=box style=filled]
	143 -> "283 | CI" [label=""]
	"284 | C=Cc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	144 -> "284 | C=Cc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"285 | OCCc1cc(Br)nn1-c1cc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	145 -> "285 | OCCc1cc(Br)nn1-c1cc(Br)ccc1Br" [label=""]
	"286 | ClC1=CC(Br)=NNc2cc(Br)ccc2OCC1" [color=lightgrey shape=box style=filled]
	146 -> "286 | ClC1=CC(Br)=NNc2cc(Br)ccc2OCC1" [label=""]
	"287 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	147 -> "287 | Cc1cc(Br)nn1-c1cc(Br)ccc1O" [label=""]
	"288 | CO" [color=lightyellow shape=box style=filled]
	147 -> "288 | CO" [label=""]
	"289 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	148 -> "289 | Brc1ncn[nH]1" [label=""]
	"290 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	148 -> "290 | FC(F)(F)CI" [label=""]
	"291 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	149 -> "291 | Brc1ncn[nH]1" [label=""]
	"292 | FC(F)(F)CBr" [color=lightgrey shape=box style=filled]
	149 -> "292 | FC(F)(F)CBr" [label=""]
	"293 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	150 -> "293 | Brc1ncn[nH]1" [label=""]
	"294 | O=CC(F)(F)F" [color=lightyellow shape=box style=filled]
	150 -> "294 | O=CC(F)(F)F" [label=""]
	"295 | O=Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	151 -> "295 | O=Cn1ncnc1Br" [label=""]
	"296 | FBr" [color=lightgrey shape=box style=filled]
	151 -> "296 | FBr" [label=""]
	"297 | FCl" [color=lightgrey shape=box style=filled]
	151 -> "297 | FCl" [label=""]
	"298 | O=C(F)Br" [color=lightgrey shape=box style=filled]
	151 -> "298 | O=C(F)Br" [label=""]
	"299 | OCCc1ccnn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	152 -> "299 | OCCc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"300 | Oc1ccc(Br)cc1-n1nccc1CCBr" [color=lightgrey shape=box style=filled]
	153 -> "300 | Oc1ccc(Br)cc1-n1nccc1CCBr" [label=""]
	"301 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	154 -> "301 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"302 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	154 -> "302 | O=C1CCC(=O)N1Br" [label=""]
	"303 | Oc1ccc(Br)cc1-n1nccc1CCI" [color=lightgrey shape=box style=filled]
	155 -> "303 | Oc1ccc(Br)cc1-n1nccc1CCI" [label=""]
	"304 | O=C(O)Cc1ccnn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	156 -> "304 | O=C(O)Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"305 | Oc1ccc(Br)cc1-n1nccc1CCCl" [color=lightgrey shape=box style=filled]
	157 -> "305 | Oc1ccc(Br)cc1-n1nccc1CCCl" [label=""]
	"306 | CI" [color=lightyellow shape=box style=filled]
	158 -> "306 | CI" [label=""]
	"307 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	158 -> "307 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"308 | CO" [color=lightyellow shape=box style=filled]
	159 -> "308 | CO" [label=""]
	"309 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	159 -> "309 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"310 | OCCc1ccnn1-c1cc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	160 -> "310 | OCCc1ccnn1-c1cc(Br)ccc1Br" [label=""]
	"311 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	161 -> "311 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"312 | C[Mg+]" [color=lightyellow shape=box style=filled]
	161 -> "312 | C[Mg+]" [label=""]
}
