digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@@H](O)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](O)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](O)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](O)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](O)CC[C@H]1c1cccc(F)c1F" -> 5 [label=0.000]
	6 [color=lightblue shape=rarrow style=filled]
	"1 | CC(C)(C)OC(=O)N[C@@H]1c2cccnc2[C@@H](O)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](O)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](O)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](O)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](O)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](O)c2ncccc21" [color=aquamarine shape=box style=filled]
	1 -> "3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" [label=""]
	"4 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	2 -> "4 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	2 -> "5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"6 | OB(O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	3 -> "6 | OB(O)c1cccc(F)c1F" [label=""]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" [color=aquamarine shape=box style=filled]
	3 -> "7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" [label=""]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	4 -> "8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" [label=""]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" [color=aquamarine shape=box style=filled]
	5 -> "9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" [label=""]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [color=lightblue shape=box style=filled]
	6 -> "10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [label=""]
	"11 | CC(C)(C)OC=O" [color=lightyellow shape=box style=filled]
	7 -> "11 | CC(C)(C)OC=O" [label=""]
	"12 | N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	7 -> "12 | N[C@@H]1c2cccnc2C(=O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"13 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	8 -> "13 | CC(C)(C)OC(=O)O" [label=""]
	"14 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	8 -> "14 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"15 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	8 -> "15 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"16 | CC(C)(C)OCO" [color=lightgrey shape=box style=filled]
	9 -> "16 | CC(C)(C)OCO" [label=""]
	"17 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	9 -> "17 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"18 | O[C@@H](CCCc1cccc(F)c1F)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	10 -> "18 | O[C@@H](CCCc1cccc(F)c1F)c1ncccc1Br" [label=""]
	"19 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	10 -> "19 | CNC(=O)OC(C)(C)C" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"5 | N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)c2ncccc21" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)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](O)CCC(=O)c1cccc(F)c1F" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"9 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)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](O)CC[C@H](O)c1cccc(F)c1F" -> 60 [label=0.000]
	61 [color=lightblue shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)CCCc1cccc(F)c1F" -> 70 [label=0.000]
	"20 | CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)c1cccnc1" [color=lightgrey shape=box style=filled]
	11 -> "20 | CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)c1cccnc1" [label=""]
	"21 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1" [color=lightgrey shape=box style=filled]
	12 -> "21 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1" [label=""]
	"22 | N[C@H]1CCC[C@H](O)c2ncccc21" [color=lightgrey shape=box style=filled]
	13 -> "22 | N[C@H]1CCC[C@H](O)c2ncccc21" [label=""]
	"23 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	13 -> "23 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"24 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Br" [color=lightgrey shape=box style=filled]
	14 -> "24 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Br" [label=""]
	"25 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Br" [color=lightgrey shape=box style=filled]
	15 -> "25 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Br" [label=""]
	"26 | CC(C)(C)OC(=O)NCCCC[C@H](O)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	16 -> "26 | CC(C)(C)OC(=O)NCCCC[C@H](O)c1ncccc1Br" [label=""]
	"27 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Cl" [color=lightgrey shape=box style=filled]
	17 -> "27 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Cl" [label=""]
	"28 | CCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1C=O" [color=lightgrey shape=box style=filled]
	18 -> "28 | CCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1C=O" [label=""]
	"29 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)C=NC=CC=C1Br" [color=lightgrey shape=box style=filled]
	19 -> "29 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)C=NC=CC=C1Br" [label=""]
	"30 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Cl" [color=lightgrey shape=box style=filled]
	20 -> "30 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Cl" [label=""]
	"31 | N[C@H]1CCC[C@H](O)c2ncccc21" [color=lightgrey shape=box style=filled]
	21 -> "31 | N[C@H]1CCC[C@H](O)c2ncccc21" [label=""]
	"32 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	21 -> "32 | Fc1cccc(Br)c1F" [label=""]
	"33 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	22 -> "33 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCCc1cccc(F)c1F" [label=""]
	"34 | O=C(N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	23 -> "34 | O=C(N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F)OCc1ccccc1" [label=""]
	"35 | N[C@H]1CCC[C@H](O)c2ncccc21" [color=lightgrey shape=box style=filled]
	24 -> "35 | N[C@H]1CCC[C@H](O)c2ncccc21" [label=""]
	"36 | OB(O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	24 -> "36 | OB(O)c1cccc(F)c1F" [label=""]
	"37 | NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	25 -> "37 | NCc1cccnc1[C@@H](O)CCC(=O)c1cccc(F)c1F" [label=""]
	"38 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	26 -> "38 | Fc1cccc(Br)c1F" [label=""]
	"39 | N[C@H]1CCCC(=O)c2ncccc21" [color=lightgrey shape=box style=filled]
	26 -> "39 | N[C@H]1CCCC(=O)c2ncccc21" [label=""]
	"40 | O[C@H]1CC[C@@H](c2cccc(F)c2F)Cc2cccnc21" [color=lightgrey shape=box style=filled]
	27 -> "40 | O[C@H]1CC[C@@H](c2cccc(F)c2F)Cc2cccnc21" [label=""]
	"41 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	27 -> "41 | CC(C)(C)OC(N)=O" [label=""]
	"42 | [O-]N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	28 -> "42 | [O-]N[C@@H]1c2cccnc2[C@@H](O)CC[C@H]1c1cccc(F)c1F" [label=""]
	"43 | NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	29 -> "43 | NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [label=""]
	"44 | O[C@@H](CCCc1cccc(F)c1F)c1ccccn1" [color=lightgrey shape=box style=filled]
	30 -> "44 | O[C@@H](CCCc1cccc(F)c1F)c1ccccn1" [label=""]
	"45 | NC=O" [color=lightyellow shape=box style=filled]
	30 -> "45 | NC=O" [label=""]
	"46 | CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)c1cccnc1" [color=lightgrey shape=box style=filled]
	31 -> "46 | CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)c1cccnc1" [label=""]
	"47 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1" [color=lightgrey shape=box style=filled]
	32 -> "47 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1" [label=""]
	"48 | N[C@H]1CCC[C@H](O)c2ncccc21" [color=lightgrey shape=box style=filled]
	33 -> "48 | N[C@H]1CCC[C@H](O)c2ncccc21" [label=""]
	"49 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	33 -> "49 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"50 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Br" [color=lightgrey shape=box style=filled]
	34 -> "50 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Br" [label=""]
	"51 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Br" [color=lightgrey shape=box style=filled]
	35 -> "51 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Br" [label=""]
	"52 | CC(C)(C)OC(=O)NCCCC[C@H](O)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	36 -> "52 | CC(C)(C)OC(=O)NCCCC[C@H](O)c1ncccc1Br" [label=""]
	"53 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Cl" [color=lightgrey shape=box style=filled]
	37 -> "53 | CC(C)(C)OC(=O)N[C@@H](CCCCO)c1cccnc1Cl" [label=""]
	"54 | CCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1C=O" [color=lightgrey shape=box style=filled]
	38 -> "54 | CCC[C@H](NC(=O)OC(C)(C)C)c1cccnc1C=O" [label=""]
	"55 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)C=NC=CC=C1Br" [color=lightgrey shape=box style=filled]
	39 -> "55 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H](O)C=NC=CC=C1Br" [label=""]
	"56 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Cl" [color=lightgrey shape=box style=filled]
	40 -> "56 | CC(C)(C)OC(=O)N[C@@H](CCCC=O)c1cccnc1Cl" [label=""]
	"57 | O=C(O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	41 -> "57 | O=C(O)c1cccc(F)c1F" [label=""]
	"58 | CC[C@H](O)c1ncccc1CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	41 -> "58 | CC[C@H](O)c1ncccc1CNC(=O)OC(C)(C)C" [label=""]
	"59 | CC(C)(C)OC(=O)NCc1cccnc1C=O" [color=lightgrey shape=box style=filled]
	42 -> "59 | CC(C)(C)OC(=O)NCc1cccnc1C=O" [label=""]
	"60 | CCC(=O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	42 -> "60 | CCC(=O)c1cccc(F)c1F" [label=""]
	"61 | CC[C@H](O)c1ncccc1CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	43 -> "61 | CC[C@H](O)c1ncccc1CNC(=O)OC(C)(C)C" [label=""]
	"62 | O=C(Cl)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	43 -> "62 | O=C(Cl)c1cccc(F)c1F" [label=""]
	"63 | CCC(=O)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	44 -> "63 | CCC(=O)c1cccc(F)c1F" [label=""]
	"64 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [color=lightgrey shape=box style=filled]
	44 -> "64 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [label=""]
	"65 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	45 -> "65 | CNC(=O)OC(C)(C)C" [label=""]
	"66 | O=C(CC[C@H](O)c1ncccc1Br)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	45 -> "66 | O=C(CC[C@H](O)c1ncccc1Br)c1cccc(F)c1F" [label=""]
	"67 | O=C(CCBr)c1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	46 -> "67 | O=C(CCBr)c1cccc(F)c1F" [label=""]
	"68 | CC(C)(C)OC(=O)NCc1cccnc1CO" [color=lightgrey shape=box style=filled]
	46 -> "68 | CC(C)(C)OC(=O)NCc1cccnc1CO" [label=""]
	"69 | O=CCCC(=O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	47 -> "69 | O=CCCC(=O)c1cccc(F)c1F" [label=""]
	"70 | CC(C)(C)OC(=O)NCc1cccnc1" [color=lightyellow shape=box style=filled]
	47 -> "70 | CC(C)(C)OC(=O)NCc1cccnc1" [label=""]
	"71 | Fc1ccccc1F" [color=lightyellow shape=box style=filled]
	48 -> "71 | Fc1ccccc1F" [label=""]
	"72 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)O" [color=lightgrey shape=box style=filled]
	48 -> "72 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)O" [label=""]
	"73 | CC(C)(C)OC(=O)NCc1cccnc1Br" [color=lightgrey shape=box style=filled]
	49 -> "73 | CC(C)(C)OC(=O)NCc1cccnc1Br" [label=""]
	"74 | O=C(CCCO)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	49 -> "74 | O=C(CCCO)c1cccc(F)c1F" [label=""]
	"75 | O=C(CCO)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	50 -> "75 | O=C(CCO)c1cccc(F)c1F" [label=""]
	"76 | CC(C)(C)OC(=O)NCc1cccnc1CO" [color=lightgrey shape=box style=filled]
	50 -> "76 | CC(C)(C)OC(=O)NCc1cccnc1CO" [label=""]
	"77 | CC(C)(C)OC(=O)NCc1cccnc1C=O" [color=lightgrey shape=box style=filled]
	51 -> "77 | CC(C)(C)OC(=O)NCc1cccnc1C=O" [label=""]
	"78 | CC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	51 -> "78 | CC[C@H](O)c1cccc(F)c1F" [label=""]
	"79 | O[C@@H](CC[C@H](O)c1ncccc1Br)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	52 -> "79 | O[C@@H](CC[C@H](O)c1ncccc1Br)c1cccc(F)c1F" [label=""]
	"80 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	52 -> "80 | CNC(=O)OC(C)(C)C" [label=""]
	"81 | CC(C)(C)OC(=O)NCc1cccnc1Br" [color=lightgrey shape=box style=filled]
	53 -> "81 | CC(C)(C)OC(=O)NCc1cccnc1Br" [label=""]
	"82 | OCCC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	53 -> "82 | OCCC[C@H](O)c1cccc(F)c1F" [label=""]
	"83 | O=CCC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	54 -> "83 | O=CCC[C@H](O)c1cccc(F)c1F" [label=""]
	"84 | CC(C)(C)OC(=O)NCc1cccnc1" [color=lightyellow shape=box style=filled]
	54 -> "84 | CC(C)(C)OC(=O)NCc1cccnc1" [label=""]
	"85 | Fc1ccccc1F" [color=lightyellow shape=box style=filled]
	55 -> "85 | Fc1ccccc1F" [label=""]
	"86 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)O" [color=lightgrey shape=box style=filled]
	55 -> "86 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC(=O)O" [label=""]
	"87 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [color=lightyellow shape=box style=filled]
	56 -> "87 | CC(C)(C)OC(=O)NCc1cccnc1Cl" [label=""]
	"88 | OCCC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	56 -> "88 | OCCC[C@H](O)c1cccc(F)c1F" [label=""]
	"89 | Fc1cccc(Br)c1F" [color=lightyellow shape=box style=filled]
	57 -> "89 | Fc1cccc(Br)c1F" [label=""]
	"90 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCCO" [color=lightgrey shape=box style=filled]
	57 -> "90 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCCO" [label=""]
	"91 | Fc1ccccc1F" [color=lightyellow shape=box style=filled]
	58 -> "91 | Fc1ccccc1F" [label=""]
	"92 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC=O" [color=lightgrey shape=box style=filled]
	58 -> "92 | CC(C)(C)OC(=O)NCc1cccnc1[C@@H](O)CCC=O" [label=""]
	"93 | CC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	59 -> "93 | CC[C@H](O)c1cccc(F)c1F" [label=""]
	"94 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [color=lightgrey shape=box style=filled]
	59 -> "94 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [label=""]
	"95 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	60 -> "95 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"96 | NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	60 -> "96 | NCc1cccnc1[C@@H](O)CC[C@H](O)c1cccc(F)c1F" [label=""]
	"97 | O=C(O)CCCc1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	61 -> "97 | O=C(O)CCCc1cccc(F)c1F" [label=""]
	"98 | CC(C)(C)OC(=O)NCc1cccnc1" [color=lightyellow shape=box style=filled]
	61 -> "98 | CC(C)(C)OC(=O)NCc1cccnc1" [label=""]
	"99 | CCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	62 -> "99 | CCCc1cccc(F)c1F" [label=""]
	"100 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [color=lightgrey shape=box style=filled]
	62 -> "100 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [label=""]
	"101 | O=C(CCCc1cccc(F)c1F)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	63 -> "101 | O=C(CCCc1cccc(F)c1F)c1ncccc1Br" [label=""]
	"102 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	63 -> "102 | CNC(=O)OC(C)(C)C" [label=""]
	"103 | CC(C)(C)OC(=O)NCc1cccnc1C=O" [color=lightgrey shape=box style=filled]
	64 -> "103 | CC(C)(C)OC(=O)NCc1cccnc1C=O" [label=""]
	"104 | Fc1cccc(CCCBr)c1F" [color=lightyellow shape=box style=filled]
	64 -> "104 | Fc1cccc(CCCBr)c1F" [label=""]
	"105 | NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	65 -> "105 | NCc1cccnc1C(=O)CCCc1cccc(F)c1F" [label=""]
	"106 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	65 -> "106 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"107 | O=C(CCCc1cccc(F)c1F)c1ccccn1" [color=lightgrey shape=box style=filled]
	66 -> "107 | O=C(CCCc1cccc(F)c1F)c1ccccn1" [label=""]
	"108 | CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	66 -> "108 | CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C" [label=""]
	"109 | Fc1cccc(CCCBr)c1F" [color=lightyellow shape=box style=filled]
	67 -> "109 | Fc1cccc(CCCBr)c1F" [label=""]
	"110 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [color=lightgrey shape=box style=filled]
	67 -> "110 | CC(C)(C)OC(=O)NCc1cccnc1C(=O)O" [label=""]
	"111 | CC(C)(C)OC(=O)NCc1cccnc1Br" [color=lightgrey shape=box style=filled]
	68 -> "111 | CC(C)(C)OC(=O)NCc1cccnc1Br" [label=""]
	"112 | O=C(O)CCCc1cccc(F)c1F" [color=lightyellow shape=box style=filled]
	68 -> "112 | O=C(O)CCCc1cccc(F)c1F" [label=""]
	"113 | CC(C)(C)OC(=O)NC=O" [color=lightyellow shape=box style=filled]
	69 -> "113 | CC(C)(C)OC(=O)NC=O" [label=""]
	"114 | O=C(CCCc1cccc(F)c1F)c1ccccn1" [color=lightgrey shape=box style=filled]
	69 -> "114 | O=C(CCCc1cccc(F)c1F)c1ccccn1" [label=""]
	"115 | O=Cc1cccnc1C(=O)CCCc1cccc(F)c1F" [color=lightgrey shape=box style=filled]
	70 -> "115 | O=Cc1cccnc1C(=O)CCCc1cccc(F)c1F" [label=""]
	"116 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	70 -> "116 | CC(C)(C)OC(N)=O" [label=""]
}
