digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N)CC[C@H]1c1cccc(F)c1F" -> 10 [label=0.000]
	"2 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	1 -> "2 | Fc1cccc(Br)c1F" [label=""]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" [color=lightblue shape=box style=filled]
	1 -> "3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" [label=""]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	2 -> "4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [label=""]
	"5 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	3 -> "5 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" [color=aquamarine shape=box style=filled]
	3 -> "6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" [label=""]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	4 -> "7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" [label=""]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	5 -> "8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" [label=""]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	6 -> "9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" [label=""]
	"10 | [O]Cc1ccccc1" [color=lightblue shape=box style=filled]
	7 -> "10 | [O]Cc1ccccc1" [label=""]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	7 -> "11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" [color=aquamarine shape=box style=filled]
	8 -> "12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" [label=""]
	"13 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	9 -> "13 | OCc1ccccc1" [label=""]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	9 -> "14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" [label=""]
	"15 | OC(Br)c1ccccc1" [color=lightblue shape=box style=filled]
	10 -> "15 | OC(Br)c1ccccc1" [label=""]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	10 -> "16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	11 [color=lightblue shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N)c2ncccc21" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"6 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)c1cccc(F)c1F" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" -> 68 [label=0.000]
	69 [color=lightblue shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 69 [label=0.000]
	70 [color=lightblue shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 70 [label=0.000]
	71 [color=lightblue shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 71 [label=0.000]
	72 [color=lightblue shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 74 [label=0.000]
	75 [color=lightblue shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"10 | [O]Cc1ccccc1" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" -> 104 [label=0.000]
	105 [color=lightblue shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 106 [label=0.000]
	107 [color=lightblue shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 108 [label=0.000]
	109 [color=aquamarine shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 109 [label=0.000]
	110 [color=lightblue shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 110 [label=0.000]
	111 [color=aquamarine shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 113 [label=0.000]
	114 [color=aquamarine shape=rarrow style=filled]
	"15 | OC(Br)c1ccccc1" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 116 [label=0.000]
	117 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 120 [label=0.000]
	121 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"16 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" -> 122 [label=0.000]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" [color=lightblue shape=box style=filled]
	11 -> "17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" [label=""]
	"18 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	11 -> "18 | CC(C)(C)OC(N)=O" [label=""]
	"19 | N[C@@H]1CCC[C@H](N)c2cccnc21" [color=lightgrey shape=box style=filled]
	12 -> "19 | N[C@@H]1CCC[C@H](N)c2cccnc21" [label=""]
	"20 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	12 -> "20 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"21 | CC(C)(C)OC(=O)N[C@@H](CCCCN)c1cccnc1Cl" [color=lightgrey shape=box style=filled]
	13 -> "21 | CC(C)(C)OC(=O)N[C@@H](CCCCN)c1cccnc1Cl" [label=""]
	"22 | N" [color=lightyellow shape=box style=filled]
	14 -> "22 | N" [label=""]
	"23 | CC(C)(C)OC(=O)N[C@H]1CCCC(=O)c2ncccc21" [color=lightgrey shape=box style=filled]
	14 -> "23 | CC(C)(C)OC(=O)N[C@H]1CCCC(=O)c2ncccc21" [label=""]
	"24 | CC(C)(C)OC(=O)N[C@@H](CCCCN)c1cccnc1Br" [color=lightgrey shape=box style=filled]
	15 -> "24 | CC(C)(C)OC(=O)N[C@@H](CCCCN)c1cccnc1Br" [label=""]
	"25 | CC(C)(C)OC(=O)N[C@@H](CCCC(N)=O)c1cccnc1" [color=lightgrey shape=box style=filled]
	16 -> "25 | CC(C)(C)OC(=O)N[C@@H](CCCC(N)=O)c1cccnc1" [label=""]
	"26 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	17 -> "26 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)c2ncccc21" [label=""]
	"27 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)c2ncccc21" [color=lightgrey shape=box style=filled]
	18 -> "27 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)c2ncccc21" [label=""]
	"28 | N" [color=lightyellow shape=box style=filled]
	19 -> "28 | N" [label=""]
	"29 | CC(C)(C)OC(=O)N[C@H]1CCCC(=O)c2ncccc21" [color=lightgrey shape=box style=filled]
	19 -> "29 | CC(C)(C)OC(=O)N[C@H]1CCCC(=O)c2ncccc21" [label=""]
	"30 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N[O-])c2ncccc21" [color=lightgrey shape=box style=filled]
	20 -> "30 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N[O-])c2ncccc21" [label=""]
	"31 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	21 -> "31 | Fc1cccc(Br)c1F" [label=""]
	"32 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	21 -> "32 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)c2ncccc21" [label=""]
	"33 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	22 -> "33 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [label=""]
	"34 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	22 -> "34 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"35 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCC(=O)c1cccc(F)c1F)NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	23 -> "35 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCC(=O)c1cccc(F)c1F)NC(=O)OCc1ccccc1" [label=""]
	"36 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	24 -> "36 | Fc1cccc(Br)c1F" [label=""]
	"37 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(Cl)c2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	24 -> "37 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OC(Cl)c2ccccc2)c2ncccc21" [label=""]
	"38 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CC[C@H](O)c1cccc(F)c1F)NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	25 -> "38 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CC[C@H](O)c1cccc(F)c1F)NC(=O)OCc1ccccc1" [label=""]
	"39 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	26 -> "39 | CC(C)(C)OC(=O)O" [label=""]
	"40 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	26 -> "40 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [label=""]
	"41 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	26 -> "41 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"42 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	27 -> "42 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [label=""]
	"43 | CC(C)(C)OCO" [color=lightgrey shape=box style=filled]
	27 -> "43 | CC(C)(C)OCO" [label=""]
	"44 | [CH]c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	28 -> "44 | [CH]c1cccc(F)c1F" [label=""]
	"45 | [CH2]C[C@@H](NC(=O)OCc1ccccc1)c1ncccc1[CH]NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	28 -> "45 | [CH2]C[C@@H](NC(=O)OCc1ccccc1)c1ncccc1[CH]NC(=O)OC(C)(C)C" [label=""]
	"46 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CC=Cc1cccc(F)c1F)NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	29 -> "46 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CC=Cc1cccc(F)c1F)NC(=O)OCc1ccccc1" [label=""]
	"47 | N[C@@H]1CCC[C@H](N)c2cccnc21" [color=lightgrey shape=box style=filled]
	30 -> "47 | N[C@@H]1CCC[C@H](N)c2cccnc21" [label=""]
	"48 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	30 -> "48 | Fc1cccc(Br)c1F" [label=""]
	"49 | NC(=O)CC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1" [color=lightgrey shape=box style=filled]
	31 -> "49 | NC(=O)CC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1" [label=""]
	"50 | NCCC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1Br" [color=lightgrey shape=box style=filled]
	32 -> "50 | NCCC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1Br" [label=""]
	"51 | CC(C)(C)OC(=O)NCCC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1" [color=lightgrey shape=box style=filled]
	33 -> "51 | CC(C)(C)OC(=O)NCCC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1" [label=""]
	"52 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	34 -> "52 | N[C@@H]1c2cccnc2[C@H](NC(=O)OCc2ccccc2)CC[C@H]1c1cccc(F)c1F" [label=""]
	"53 | N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	35 -> "53 | N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [label=""]
	"54 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	35 -> "54 | CC(C)(C)OC(N)=O" [label=""]
	"55 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](NC(=O)OCc2ccccc2)c2cccnc21" [color=lightgrey shape=box style=filled]
	36 -> "55 | N[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](NC(=O)OCc2ccccc2)c2cccnc21" [label=""]
	"56 | NCCC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1Cl" [color=lightgrey shape=box style=filled]
	37 -> "56 | NCCC[C@@H](c1cccc(F)c1F)[C@H](N)c1cccnc1Cl" [label=""]
	"57 | N[C@H](c1cccnc1)[C@@H](CC[C@@H](N)O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	38 -> "57 | N[C@H](c1cccnc1)[C@@H](CC[C@@H](N)O)c1cccc(F)c1F" [label=""]
	"58 | [O]Cc1ccccc1" [color=lightgrey shape=box style=filled]
	39 -> "58 | [O]Cc1ccccc1" [label=""]
	"59 | N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	39 -> "59 | N[C@@H]1c2cccnc2[C@H](N[C]=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"60 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	40 -> "60 | Fc1cccc(Br)c1F" [label=""]
	"61 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N[O-])c2ncccc21" [color=lightgrey shape=box style=filled]
	40 -> "61 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N[O-])c2ncccc21" [label=""]
	"62 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	41 -> "62 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"63 | N[O-]" [color=lightgrey shape=box style=filled]
	41 -> "63 | N[O-]" [label=""]
	"64 | CC(C)(C)OC(=O)N[O-]" [color=lightgrey shape=box style=filled]
	42 -> "64 | CC(C)(C)OC(=O)N[O-]" [label=""]
	"65 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	42 -> "65 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [label=""]
	"66 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	43 -> "66 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"67 | N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	43 -> "67 | N[C@@H]1c2cccnc2[C@H](N[O-])CC[C@H]1c1cccc(F)c1F" [label=""]
	"68 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	44 -> "68 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"69 | N[O-]" [color=lightgrey shape=box style=filled]
	44 -> "69 | N[O-]" [label=""]
	"70 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	45 -> "70 | Fc1cccc(Br)c1F" [label=""]
	"71 | N[O-]" [color=lightgrey shape=box style=filled]
	45 -> "71 | N[O-]" [label=""]
	"72 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" [color=lightgrey shape=box style=filled]
	45 -> "72 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" [label=""]
	"73 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	46 -> "73 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [label=""]
	"74 | N=O" [color=lightgrey shape=box style=filled]
	46 -> "74 | N=O" [label=""]
	"75 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C]CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	47 -> "75 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C]CC[C@H]1c1cccc(F)c1F" [label=""]
	"76 | [NH][O-]" [color=lightgrey shape=box style=filled]
	47 -> "76 | [NH][O-]" [label=""]
	"77 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	48 -> "77 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2CCC[C@H]1c1cccc(F)c1F" [label=""]
	"78 | N=O" [color=lightgrey shape=box style=filled]
	48 -> "78 | N=O" [label=""]
	"79 | CC[C@@H](N)c1ncccc1CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	49 -> "79 | CC[C@@H](N)c1ncccc1CNC(=O)OC(C)(C)C" [label=""]
	"80 | O=C(O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	49 -> "80 | O=C(O)c1cccc(F)c1F" [label=""]
	"81 | CC[C@@H](N)c1ncccc1CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	50 -> "81 | CC[C@@H](N)c1ncccc1CNC(=O)OC(C)(C)C" [label=""]
	"82 | O=C(Cl)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	50 -> "82 | O=C(Cl)c1cccc(F)c1F" [label=""]
	"83 | O=C(CCBr)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	51 -> "83 | O=C(CCBr)c1cccc(F)c1F" [label=""]
	"84 | CC(C)(C)OC(=O)NCc1cccnc1CN" [color=lightgrey shape=box style=filled]
	51 -> "84 | CC(C)(C)OC(=O)NCc1cccnc1CN" [label=""]
	"85 | CC(C)(C)OC(=O)NCc1cccnc1C(N)=O" [color=lightgrey shape=box style=filled]
	52 -> "85 | CC(C)(C)OC(=O)NCc1cccnc1C(N)=O" [label=""]
	"86 | CCC(=O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	52 -> "86 | CCC(=O)c1cccc(F)c1F" [label=""]
	"87 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)O" [color=lightgrey shape=box style=filled]
	53 -> "87 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)O" [label=""]
	"88 | Fc1ccccc1F" [color=lightyellow shape=box style=filled]
	53 -> "88 | Fc1ccccc1F" [label=""]
	"89 | CC(C)(C)OC(=O)NCc1cccnc1Br" [color=lightgrey shape=box style=filled]
	54 -> "89 | CC(C)(C)OC(=O)NCc1cccnc1Br" [label=""]
	"90 | NCCCC(=O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	54 -> "90 | NCCCC(=O)c1cccc(F)c1F" [label=""]
	"91 | N[C@H](CCC(=O)c1cccc(F)c1F)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	55 -> "91 | N[C@H](CCC(=O)c1cccc(F)c1F)c1ncccc1Br" [label=""]
	"92 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	55 -> "92 | CNC(=O)OC(C)(C)C" [label=""]
	"93 | O=C(N[C@H](CCC(=O)c1cccc(F)c1F)c1ccccn1)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	56 -> "93 | O=C(N[C@H](CCC(=O)c1cccc(F)c1F)c1ccccn1)OCc1ccccc1" [label=""]
	"94 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	56 -> "94 | CNC(=O)OC(C)(C)C" [label=""]
	"95 | CC(C)(C)OC(=O)NCc1cccnc1CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	57 -> "95 | CC(C)(C)OC(=O)NCc1cccnc1CNC(=O)OC(C)(C)C" [label=""]
	"96 | CCC(=O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	57 -> "96 | CCC(=O)c1cccc(F)c1F" [label=""]
	"97 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [color=lightyellow shape=box style=filled]
	58 -> "97 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [label=""]
	"98 | NCCCC(=O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	58 -> "98 | NCCCC(=O)c1cccc(F)c1F" [label=""]
	"99 | CC(C)(C)OC(=O)NCc1cccnc1Br" [color=lightgrey shape=box style=filled]
	59 -> "99 | CC(C)(C)OC(=O)NCc1cccnc1Br" [label=""]
	"100 | NCCC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	59 -> "100 | NCCC[C@H](O)c1cccc(F)c1F" [label=""]
	"101 | N[C@H](CC[C@H](O)c1cccc(F)c1F)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	60 -> "101 | N[C@H](CC[C@H](O)c1cccc(F)c1F)c1ncccc1Br" [label=""]
	"102 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	60 -> "102 | CNC(=O)OC(C)(C)C" [label=""]
	"103 | Fc1ccccc1F" [color=lightyellow shape=box style=filled]
	61 -> "103 | Fc1ccccc1F" [label=""]
	"104 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC=O" [color=lightgrey shape=box style=filled]
	61 -> "104 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC=O" [label=""]
	"105 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)O" [color=lightgrey shape=box style=filled]
	62 -> "105 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCC(=O)O" [label=""]
	"106 | Fc1ccccc1F" [color=lightyellow shape=box style=filled]
	62 -> "106 | Fc1ccccc1F" [label=""]
	"107 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCCO" [color=lightgrey shape=box style=filled]
	63 -> "107 | CC(C)(C)OC(=O)NCc1cccnc1[C@H](N)CCCO" [label=""]
	"108 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	63 -> "108 | Fc1cccc(Br)c1F" [label=""]
	"109 | CC(C)(C)OC(=O)NCc1cccnc1" [color=lightyellow shape=box style=filled]
	64 -> "109 | CC(C)(C)OC(=O)NCc1cccnc1" [label=""]
	"110 | CC(C)(C)OC(=O)NCCC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	64 -> "110 | CC(C)(C)OC(=O)NCCC[C@H](O)c1cccc(F)c1F" [label=""]
	"111 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [color=lightyellow shape=box style=filled]
	65 -> "111 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [label=""]
	"112 | NCCC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	65 -> "112 | NCCC[C@H](O)c1cccc(F)c1F" [label=""]
	"113 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	66 -> "113 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"114 | NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	66 -> "114 | NCc1cccnc1[C@H](N)CC[C@H](O)c1cccc(F)c1F" [label=""]
	"115 | N[C@H](CC[C@H](O)c1cccc(F)c1F)c1ncccc1C=O" [color=lightgrey shape=box style=filled]
	67 -> "115 | N[C@H](CC[C@H](O)c1cccc(F)c1F)c1ncccc1C=O" [label=""]
	"116 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	67 -> "116 | CC(C)(C)OC(N)=O" [label=""]
	"117 | CC(C)(C)OC(=O)N[C@H](CC[C@H](O)c1cccc(F)c1F)c1ccccn1" [color=lightgrey shape=box style=filled]
	68 -> "117 | CC(C)(C)OC(=O)N[C@H](CC[C@H](O)c1cccc(F)c1F)c1ccccn1" [label=""]
	"118 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	68 -> "118 | CNC(=O)OC(C)(C)C" [label=""]
	"119 | BrCc1ccccc1" [color=lightyellow shape=box style=filled]
	69 -> "119 | BrCc1ccccc1" [label=""]
	"120 | O" [color=lightyellow shape=box style=filled]
	69 -> "120 | O" [label=""]
	"121 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	70 -> "121 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"122 | Cc1ccccc1" [color=lightyellow shape=box style=filled]
	70 -> "122 | Cc1ccccc1" [label=""]
	"123 | CO" [color=lightyellow shape=box style=filled]
	71 -> "123 | CO" [label=""]
	"124 | Brc1ccccc1" [color=lightyellow shape=box style=filled]
	71 -> "124 | Brc1ccccc1" [label=""]
	"125 | BrCc1ccccc1" [color=lightyellow shape=box style=filled]
	72 -> "125 | BrCc1ccccc1" [label=""]
	"126 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	72 -> "126 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"127 | c1ccccc1" [color=lightyellow shape=box style=filled]
	73 -> "127 | c1ccccc1" [label=""]
	"128 | OCBr" [color=lightgrey shape=box style=filled]
	73 -> "128 | OCBr" [label=""]
	"129 | BrCc1ccccc1" [color=lightyellow shape=box style=filled]
	74 -> "129 | BrCc1ccccc1" [label=""]
	"130 | OC(Cl)(Cl)Cl" [color=lightgrey shape=box style=filled]
	74 -> "130 | OC(Cl)(Cl)Cl" [label=""]
	"131 | CO" [color=lightyellow shape=box style=filled]
	75 -> "131 | CO" [label=""]
	"132 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	75 -> "132 | Ic1ccccc1" [label=""]
	"133 | c1ccccc1" [color=lightyellow shape=box style=filled]
	76 -> "133 | c1ccccc1" [label=""]
	"134 | OCCl" [color=lightgrey shape=box style=filled]
	76 -> "134 | OCCl" [label=""]
	"135 | OCBr" [color=lightgrey shape=box style=filled]
	77 -> "135 | OCBr" [label=""]
	"136 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	77 -> "136 | Ic1ccccc1" [label=""]
	"137 | OCBr" [color=lightgrey shape=box style=filled]
	78 -> "137 | OCBr" [label=""]
	"138 | Brc1ccccc1" [color=lightyellow shape=box style=filled]
	78 -> "138 | Brc1ccccc1" [label=""]
	"139 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2ncccc21" [color=lightgrey shape=box style=filled]
	79 -> "139 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2ncccc21" [label=""]
	"140 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	79 -> "140 | Fc1cccc(Br)c1F" [label=""]
	"141 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	80 -> "141 | Fc1cccc(Br)c1F" [label=""]
	"142 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2nccc(Cl)c21" [color=lightgrey shape=box style=filled]
	80 -> "142 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2nccc(Cl)c21" [label=""]
	"143 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	81 -> "143 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"144 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	81 -> "144 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"145 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)OC(C)(C)C)c2ncccc21" [color=lightgrey shape=box style=filled]
	82 -> "145 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)OC(C)(C)C)c2ncccc21" [label=""]
	"146 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	82 -> "146 | Fc1cccc(Br)c1F" [label=""]
	"147 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	83 -> "147 | CC(C)(C)OC(=O)O" [label=""]
	"148 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	83 -> "148 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"149 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	83 -> "149 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"150 | CC(C)(C)OCO" [color=lightgrey shape=box style=filled]
	84 -> "150 | CC(C)(C)OCO" [label=""]
	"151 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	84 -> "151 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"152 | CC(C)(C)OC=O" [color=lightyellow shape=box style=filled]
	85 -> "152 | CC(C)(C)OC=O" [label=""]
	"153 | N[C@@H]1c2cccnc2[C@H](N=C=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	85 -> "153 | N[C@@H]1c2cccnc2[C@H](N=C=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"154 | CC(C)(C)OC([O])=O" [color=lightgrey shape=box style=filled]
	86 -> "154 | CC(C)(C)OC([O])=O" [label=""]
	"155 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	86 -> "155 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"156 | CC(C)(C)O[C]=O" [color=lightgrey shape=box style=filled]
	86 -> "156 | CC(C)(C)O[C]=O" [label=""]
	"157 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	87 -> "157 | CC(C)(C)OC(=O)O" [label=""]
	"158 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	87 -> "158 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"159 | Fc1cccc(CCCBr)c1F" [color=lightyellow shape=box style=filled]
	88 -> "159 | Fc1cccc(CCCBr)c1F" [label=""]
	"160 | CC(C)(C)OC(=O)NCc1cccnc1CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	88 -> "160 | CC(C)(C)OC(=O)NCc1cccnc1CNC(=O)OC(C)(C)C" [label=""]
	"161 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [color=lightyellow shape=box style=filled]
	89 -> "161 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [label=""]
	"162 | CC(C)(C)OC(=O)NCCCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	89 -> "162 | CC(C)(C)OC(=O)NCCCCc1cccc(F)c1F" [label=""]
	"163 | CC(C)(C)OC(=O)NCc1cccnc1Br" [color=lightgrey shape=box style=filled]
	90 -> "163 | CC(C)(C)OC(=O)NCc1cccnc1Br" [label=""]
	"164 | CC(C)(C)OC(=O)NCCCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	90 -> "164 | CC(C)(C)OC(=O)NCCCCc1cccc(F)c1F" [label=""]
	"165 | CC(C)(C)OC(=O)N[C@H](CCCc1cccc(F)c1F)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	91 -> "165 | CC(C)(C)OC(=O)N[C@H](CCCc1cccc(F)c1F)c1ncccc1Br" [label=""]
	"166 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	91 -> "166 | CNC(=O)OC(C)(C)C" [label=""]
	"167 | CC(C)(C)OC(=O)NCCC(=O)C=CN=C[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	92 -> "167 | CC(C)(C)OC(=O)NCCC(=O)C=CN=C[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" [label=""]
	"168 | CC(C)(C)OC(=O)NCC=CC=CN" [color=lightgrey shape=box style=filled]
	93 -> "168 | CC(C)(C)OC(=O)NCC=CC=CN" [label=""]
	"169 | CC(C)(C)OC(=O)N[C@H](CCCc1cccc(F)c1F)C(=O)O" [color=lightgrey shape=box style=filled]
	93 -> "169 | CC(C)(C)OC(=O)N[C@H](CCCc1cccc(F)c1F)C(=O)O" [label=""]
	"170 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	94 -> "170 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [label=""]
	"171 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	94 -> "171 | CC(C)(C)OC(N)=O" [label=""]
	"172 | CC(C)(C)OC(=O)NCC=CC=CN" [color=lightgrey shape=box style=filled]
	95 -> "172 | CC(C)(C)OC(=O)NCC=CC=CN" [label=""]
	"173 | CC(C)(C)OC(=O)N[C@@H](CO)CCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	95 -> "173 | CC(C)(C)OC(=O)N[C@@H](CO)CCCc1cccc(F)c1F" [label=""]
	"174 | CC(C)(C)OC(=O)NCC=CC=CN=C(O)[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	96 -> "174 | CC(C)(C)OC(=O)NCC=CC=CN=C(O)[C@@H](CCCc1cccc(F)c1F)NC(=O)OC(C)(C)C" [label=""]
	"175 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	97 -> "175 | Fc1cccc(Br)c1F" [label=""]
	"176 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)Cl)c2ncccc21" [color=lightgrey shape=box style=filled]
	97 -> "176 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)Cl)c2ncccc21" [label=""]
	"177 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	98 -> "177 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"178 | N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	98 -> "178 | N[C@@H]1c2cccnc2[C@H](NC(=O)Cl)CC[C@H]1c1cccc(F)c1F" [label=""]
	"179 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCC(=O)c1cccc(F)c1F)NC(=O)Cl" [color=lightgrey shape=box style=filled]
	99 -> "179 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CCC(=O)c1cccc(F)c1F)NC(=O)Cl" [label=""]
	"180 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	100 -> "180 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"181 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	100 -> "181 | NC(=O)Cl" [label=""]
	"182 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)Cl)c2nccc(Cl)c21" [color=lightgrey shape=box style=filled]
	101 -> "182 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)Cl)c2nccc(Cl)c21" [label=""]
	"183 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	101 -> "183 | Fc1cccc(Br)c1F" [label=""]
	"184 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	102 -> "184 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"185 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	102 -> "185 | NC(=O)Cl" [label=""]
	"186 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	103 -> "186 | NC(=O)Cl" [label=""]
	"187 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	103 -> "187 | Fc1cccc(Br)c1F" [label=""]
	"188 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" [color=lightgrey shape=box style=filled]
	103 -> "188 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" [label=""]
	"189 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CC[C@H](O)c1cccc(F)c1F)NC(=O)Cl" [color=lightgrey shape=box style=filled]
	104 -> "189 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](CC[C@H](O)c1cccc(F)c1F)NC(=O)Cl" [label=""]
	"190 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	105 -> "190 | OCc1ccccc1" [label=""]
	"191 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	105 -> "191 | O=C1CCC(=O)N1Br" [label=""]
	"192 | OCBr" [color=lightgrey shape=box style=filled]
	106 -> "192 | OCBr" [label=""]
	"193 | Brc1ccccc1" [color=lightyellow shape=box style=filled]
	106 -> "193 | Brc1ccccc1" [label=""]
	"194 | O=Cc1ccccc1" [color=lightyellow shape=box style=filled]
	107 -> "194 | O=Cc1ccccc1" [label=""]
	"195 | Br" [color=lightyellow shape=box style=filled]
	107 -> "195 | Br" [label=""]
	"196 | O" [color=lightyellow shape=box style=filled]
	108 -> "196 | O" [label=""]
	"197 | ClC(Br)c1ccccc1" [color=lightgrey shape=box style=filled]
	108 -> "197 | ClC(Br)c1ccccc1" [label=""]
	"198 | OCBr" [color=lightgrey shape=box style=filled]
	109 -> "198 | OCBr" [label=""]
	"199 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	109 -> "199 | Ic1ccccc1" [label=""]
	"200 | O" [color=lightyellow shape=box style=filled]
	110 -> "200 | O" [label=""]
	"201 | BrC(Br)c1ccccc1" [color=lightyellow shape=box style=filled]
	110 -> "201 | BrC(Br)c1ccccc1" [label=""]
	"202 | OB(O)c1ccccc1" [color=lightyellow shape=box style=filled]
	111 -> "202 | OB(O)c1ccccc1" [label=""]
	"203 | OCBr" [color=lightgrey shape=box style=filled]
	111 -> "203 | OCBr" [label=""]
	"204 | O=C(OBr)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	112 -> "204 | O=C(OBr)c1cccc(Cl)c1" [label=""]
	"205 | Cc1ccccc1" [color=lightyellow shape=box style=filled]
	112 -> "205 | Cc1ccccc1" [label=""]
	"206 | O" [color=lightyellow shape=box style=filled]
	112 -> "206 | O" [label=""]
	"207 | OO" [color=lightyellow shape=box style=filled]
	113 -> "207 | OO" [label=""]
	"208 | ClC(Br)c1ccccc1" [color=lightgrey shape=box style=filled]
	113 -> "208 | ClC(Br)c1ccccc1" [label=""]
	"209 | OC(Cl)Br" [color=lightgrey shape=box style=filled]
	114 -> "209 | OC(Cl)Br" [label=""]
	"210 | c1ccccc1" [color=lightyellow shape=box style=filled]
	114 -> "210 | c1ccccc1" [label=""]
	"211 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2ncccc21" [color=lightgrey shape=box style=filled]
	115 -> "211 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2ncccc21" [label=""]
	"212 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	115 -> "212 | Fc1cccc(Br)c1F" [label=""]
	"213 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	116 -> "213 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"214 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	116 -> "214 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"215 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	117 -> "215 | Fc1cccc(Br)c1F" [label=""]
	"216 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2nccc(Cl)c21" [color=lightgrey shape=box style=filled]
	117 -> "216 | CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC=O)c2nccc(Cl)c21" [label=""]
	"217 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	118 -> "217 | CC(C)(C)OC(=O)O" [label=""]
	"218 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	118 -> "218 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"219 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	118 -> "219 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"220 | CC(C)(C)OC([O])=O" [color=lightgrey shape=box style=filled]
	119 -> "220 | CC(C)(C)OC([O])=O" [label=""]
	"221 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	119 -> "221 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"222 | CC(C)(C)O[C]=O" [color=lightgrey shape=box style=filled]
	119 -> "222 | CC(C)(C)O[C]=O" [label=""]
	"223 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	120 -> "223 | CC(C)(C)OC(=O)O" [label=""]
	"224 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	120 -> "224 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"225 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	121 -> "225 | CC(C)(C)OC(=O)O" [label=""]
	"226 | CC(C)(C)OC(=O)Cl" [color=lightyellow shape=box style=filled]
	121 -> "226 | CC(C)(C)OC(=O)Cl" [label=""]
	"227 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	121 -> "227 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"228 | CC(C)(C)OC([O])=O" [color=lightgrey shape=box style=filled]
	122 -> "228 | CC(C)(C)OC([O])=O" [label=""]
	"229 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	122 -> "229 | N[C@@H]1c2cccnc2[C@H](NC=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"230 | CC(C)(C)O[C]=O" [color=lightgrey shape=box style=filled]
	122 -> "230 | CC(C)(C)O[C]=O" [label=""]
	123 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 127 [label=0.000]
	128 [color=lightblue shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 129 [label=0.000]
	130 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 130 [label=0.000]
	131 [color=lightblue shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 131 [label=0.000]
	132 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(C)(C)OC(=O)N[C@H]1CCCCc2ncccc21" -> 132 [label=0.000]
	"231 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	123 -> "231 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"232 | N[C@H]1CCCCc2ncccc21" [color=lightgrey shape=box style=filled]
	123 -> "232 | N[C@H]1CCCCc2ncccc21" [label=""]
	"233 | CC(C)(C)OC(=O)NCCCCCc1ncccc1Br" [color=lightgrey shape=box style=filled]
	124 -> "233 | CC(C)(C)OC(=O)NCCCCCc1ncccc1Br" [label=""]
	"234 | C[C@H](NC(=O)OC(C)(C)C)c1cccnc1CCCBr" [color=lightgrey shape=box style=filled]
	125 -> "234 | C[C@H](NC(=O)OC(C)(C)C)c1cccnc1CCCBr" [label=""]
	"235 | CC(C)(C)OC(=O)NCCCCCc1ncccc1Cl" [color=lightgrey shape=box style=filled]
	126 -> "235 | CC(C)(C)OC(=O)NCCCCCc1ncccc1Cl" [label=""]
	"236 | CCCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1Cl" [color=lightgrey shape=box style=filled]
	127 -> "236 | CCCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1Cl" [label=""]
	"237 | O=C1CCCCc2ncccc21" [color=lightyellow shape=box style=filled]
	128 -> "237 | O=C1CCCCc2ncccc21" [label=""]
	"238 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	128 -> "238 | CC(C)(C)OC(N)=O" [label=""]
	"239 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	129 -> "239 | CC(C)(C)OC(=O)O" [label=""]
	"240 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	129 -> "240 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"241 | N[C@H]1CCCCc2ncccc21" [color=lightgrey shape=box style=filled]
	129 -> "241 | N[C@H]1CCCCc2ncccc21" [label=""]
	"242 | CCCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1Br" [color=lightgrey shape=box style=filled]
	130 -> "242 | CCCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1Br" [label=""]
	"243 | O=C1CCCCc2ncccc21" [color=lightyellow shape=box style=filled]
	131 -> "243 | O=C1CCCCc2ncccc21" [label=""]
	"244 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	131 -> "244 | CC(C)(C)OC(N)=O" [label=""]
	"245 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	132 -> "245 | CC(C)(C)OC(=O)O" [label=""]
	"246 | N[C@H]1CCCCc2ncccc21" [color=lightgrey shape=box style=filled]
	132 -> "246 | N[C@H]1CCCCc2ncccc21" [label=""]
}
