digraph G {
	rankdir=LR
	node [shape=box]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 10 [label=0.000]
	"2 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	1 -> "2 | O=C(O)CC1CC1" [label=""]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" [color=lightblue shape=box style=filled]
	1 -> "3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	2 -> "4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" [color=lightblue shape=box style=filled]
	2 -> "5 | Clc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"6 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	3 -> "6 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"7 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	3 -> "7 | OB(O)c1ccccn1" [label=""]
	"8 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	4 -> "8 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"9 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	4 -> "9 | Brc1ccccn1" [label=""]
	"10 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	5 -> "10 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [label=""]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" [color=lightblue shape=box style=filled]
	5 -> "11 | Oc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"12 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	6 -> "12 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"13 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	6 -> "13 | Brc1ccccn1" [label=""]
	"14 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	7 -> "14 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"15 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	7 -> "15 | OB(O)c1ccccn1" [label=""]
	"16 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	8 -> "16 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"17 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	8 -> "17 | OB(O)c1ccccn1" [label=""]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	9 -> "18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"19 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	10 -> "19 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"20 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	10 -> "20 | Brc1ccccn1" [label=""]
	11 [color=lightblue shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(-c4ccccn4)nc4ccsc34)C[C@H]1C(=O)N2" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 27 [label=0.000]
	28 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 28 [label=0.000]
	29 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 29 [label=0.000]
	30 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 30 [label=0.000]
	31 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 31 [label=0.000]
	32 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 32 [label=0.000]
	33 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 33 [label=0.000]
	34 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 34 [label=0.000]
	35 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 35 [label=0.000]
	36 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 36 [label=0.000]
	37 [color=lightblue shape=rarrow style=filled]
	"5 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"6 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"6 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"8 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"8 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"10 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"10 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"10 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"10 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"10 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 46 [label=0.000]
	47 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 47 [label=0.000]
	48 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 48 [label=0.000]
	49 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 49 [label=0.000]
	50 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 50 [label=0.000]
	51 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 51 [label=0.000]
	52 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 52 [label=0.000]
	53 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 53 [label=0.000]
	54 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 54 [label=0.000]
	55 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 55 [label=0.000]
	56 [color=lightblue shape=rarrow style=filled]
	"11 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"12 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"12 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"14 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"14 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"16 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"16 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"18 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"19 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"19 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 73 [label=0.000]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" [color=lightblue shape=box style=filled]
	11 -> "21 | Clc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightblue shape=box style=filled]
	11 -> "22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"23 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	12 -> "23 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"24 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	12 -> "24 | OB(O)c1ccccn1" [label=""]
	"25 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	13 -> "25 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"26 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	13 -> "26 | Brc1ccccn1" [label=""]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	14 -> "27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" [color=lightblue shape=box style=filled]
	14 -> "28 | Oc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"29 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	15 -> "29 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"30 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	15 -> "30 | Brc1ccccn1" [label=""]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	16 -> "31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [label=""]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" [color=lightblue shape=box style=filled]
	16 -> "32 | Oc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"33 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	17 -> "33 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"34 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	17 -> "34 | OB(O)c1ccccn1" [label=""]
	"35 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	18 -> "35 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"36 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	18 -> "36 | OB(O)c1ccccn1" [label=""]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=aquamarine shape=box style=filled]
	19 -> "37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"38 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	20 -> "38 | O=C(O)CC1CC1" [label=""]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	20 -> "39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"40 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=aquamarine shape=box style=filled]
	21 -> "40 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"41 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	21 -> "41 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"42 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	22 -> "42 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"43 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=aquamarine shape=box style=filled]
	23 -> "43 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"44 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=aquamarine shape=box style=filled]
	24 -> "44 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"45 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=aquamarine shape=box style=filled]
	25 -> "45 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"46 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	26 -> "46 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	27 -> "47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"48 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	27 -> "48 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"49 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	28 -> "49 | OB(O)c1ccccn1" [label=""]
	"50 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	28 -> "50 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"51 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	29 -> "51 | Brc1ccccn1" [label=""]
	"52 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	29 -> "52 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"53 | c1ccncc1" [color=lightyellow shape=box style=filled]
	30 -> "53 | c1ccncc1" [label=""]
	"54 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	30 -> "54 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"55 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	31 -> "55 | Brc1ccccn1" [label=""]
	"56 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	31 -> "56 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"57 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	32 -> "57 | Clc1ncnc2ccsc12" [label=""]
	"58 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	32 -> "58 | Brc1ccccn1" [label=""]
	"59 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	33 -> "59 | OB(O)c1ccccn1" [label=""]
	"60 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	33 -> "60 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"61 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	34 -> "61 | OB(O)c1ccccn1" [label=""]
	"62 | Clc1nc(Br)nc2ccsc12" [color=lightblue shape=box style=filled]
	34 -> "62 | Clc1nc(Br)nc2ccsc12" [label=""]
	"63 | Ic1ccccn1" [color=lightyellow shape=box style=filled]
	35 -> "63 | Ic1ccccn1" [label=""]
	"64 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	35 -> "64 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"65 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	36 -> "65 | Clc1ncnc2ccsc12" [label=""]
	"66 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	36 -> "66 | OB(O)c1ccccn1" [label=""]
	"67 | c1ccncc1" [color=lightyellow shape=box style=filled]
	37 -> "67 | c1ccncc1" [label=""]
	"68 | Clc1nc(Br)nc2ccsc12" [color=lightblue shape=box style=filled]
	37 -> "68 | Clc1nc(Br)nc2ccsc12" [label=""]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	38 -> "69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"70 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	38 -> "70 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"71 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	39 -> "71 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"72 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	39 -> "72 | O=C(O)CC1CC1" [label=""]
	"73 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	40 -> "73 | Clc1ncnc2ccsc12" [label=""]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	40 -> "74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"75 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	41 -> "75 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"76 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	41 -> "76 | O=C(O)CC1CC1" [label=""]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	42 -> "77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [label=""]
	"78 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	42 -> "78 | O=C(O)CC1CC1" [label=""]
	"79 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	43 -> "79 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"80 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)O" [color=aquamarine shape=box style=filled]
	44 -> "80 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)O" [label=""]
	"81 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=aquamarine shape=box style=filled]
	45 -> "81 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"82 | O=C1CN[C@H](C(=O)O)C1" [color=lightyellow shape=box style=filled]
	45 -> "82 | O=C1CN[C@H](C(=O)O)C1" [label=""]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	46 -> "83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"84 | O=C1CN[C@H](C(=O)O)C1" [color=lightyellow shape=box style=filled]
	46 -> "84 | O=C1CN[C@H](C(=O)O)C1" [label=""]
	"85 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	47 -> "85 | Oc1ncnc2ccsc12" [label=""]
	"86 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	47 -> "86 | Brc1ccccn1" [label=""]
	"87 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	48 -> "87 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"88 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	48 -> "88 | OB(O)c1ccccn1" [label=""]
	"89 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	49 -> "89 | Brc1ccccn1" [label=""]
	"90 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	49 -> "90 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"91 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	50 -> "91 | Oc1ncnc2ccsc12" [label=""]
	"92 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	50 -> "92 | OB(O)c1ccccn1" [label=""]
	"93 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	51 -> "93 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"94 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	51 -> "94 | OB(O)c1ccccn1" [label=""]
	"95 | O=Cc1ccccn1" [color=lightyellow shape=box style=filled]
	52 -> "95 | O=Cc1ccccn1" [label=""]
	"96 | N=C(O)c1sccc1N" [color=lightblue shape=box style=filled]
	52 -> "96 | N=C(O)c1sccc1N" [label=""]
	"97 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	53 -> "97 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"98 | c1ccncc1" [color=lightyellow shape=box style=filled]
	53 -> "98 | c1ccncc1" [label=""]
	"99 | Oc1nc(Br)nc2ccsc12" [color=lightblue shape=box style=filled]
	54 -> "99 | Oc1nc(Br)nc2ccsc12" [label=""]
	"100 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	54 -> "100 | OB(O)c1ccccn1" [label=""]
	"101 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	55 -> "101 | Brc1ccccn1" [label=""]
	"102 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	55 -> "102 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"103 | CC1(C)OB(c2ccccn2)OC1(C)C" [color=lightyellow shape=box style=filled]
	56 -> "103 | CC1(C)OB(c2ccccn2)OC1(C)C" [label=""]
	"104 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	56 -> "104 | Oc1ncnc2ccsc12" [label=""]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	57 -> "105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"106 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	57 -> "106 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"107 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	58 -> "107 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"108 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	58 -> "108 | O=C(O)CC1CC1" [label=""]
	"109 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	59 -> "109 | Clc1ncnc2ccsc12" [label=""]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	59 -> "110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"111 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	60 -> "111 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"112 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	60 -> "112 | O=C(O)CC1CC1" [label=""]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	61 -> "113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"114 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	61 -> "114 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"115 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	62 -> "115 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"116 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	62 -> "116 | O=C(O)CC1CC1" [label=""]
	"117 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	63 -> "117 | O=C(O)CC1CC1" [label=""]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=aquamarine shape=box style=filled]
	63 -> "118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"119 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" [color=aquamarine shape=box style=filled]
	64 -> "119 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" [label=""]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	64 -> "120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"121 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	65 -> "121 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" [color=lightblue shape=box style=filled]
	65 -> "122 | Clc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"123 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	66 -> "123 | OB(O)c1ccccn1" [label=""]
	"124 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	66 -> "124 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"125 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	67 -> "125 | Brc1ccccn1" [label=""]
	"126 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	67 -> "126 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"127 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	68 -> "127 | Brc1ccccn1" [label=""]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	68 -> "128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"129 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	69 -> "129 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" [color=lightblue shape=box style=filled]
	69 -> "130 | Fc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"131 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	70 -> "131 | OB(O)c1ccccn1" [label=""]
	"132 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	70 -> "132 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"133 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	71 -> "133 | OB(O)c1ccccn1" [label=""]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=aquamarine shape=box style=filled]
	71 -> "134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	72 -> "135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"136 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	72 -> "136 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"137 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	73 -> "137 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" [label=""]
	"138 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	73 -> "138 | O=C(O)CC1CC1" [label=""]
	74 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 74 [label=0.000]
	75 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 75 [label=0.000]
	76 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 76 [label=0.000]
	77 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 77 [label=0.000]
	78 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 78 [label=0.000]
	79 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 79 [label=0.000]
	80 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 80 [label=0.000]
	81 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 81 [label=0.000]
	82 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 82 [label=0.000]
	83 [color=lightblue shape=rarrow style=filled]
	"21 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 91 [label=0.000]
	92 [color=lightblue shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"22 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"23 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"23 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"25 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"25 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"27 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2" -> 107 [label=0.000]
	108 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 108 [label=0.000]
	109 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 109 [label=0.000]
	110 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 110 [label=0.000]
	111 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 111 [label=0.000]
	112 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 113 [label=0.000]
	114 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 115 [label=0.000]
	116 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 116 [label=0.000]
	117 [color=lightblue shape=rarrow style=filled]
	"28 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"29 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"29 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 120 [label=0.000]
	121 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 122 [label=0.000]
	123 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"31 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 129 [label=0.000]
	130 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 130 [label=0.000]
	131 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 131 [label=0.000]
	132 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 132 [label=0.000]
	133 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 133 [label=0.000]
	134 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 134 [label=0.000]
	135 [color=aquamarine shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 135 [label=0.000]
	136 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 136 [label=0.000]
	137 [color=aquamarine shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 137 [label=0.000]
	138 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 138 [label=0.000]
	139 [color=lightblue shape=rarrow style=filled]
	"32 | Oc1nc(-c2ccccn2)nc2ccsc12" -> 139 [label=0.000]
	140 [color=aquamarine shape=rarrow style=filled]
	"33 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 140 [label=0.000]
	141 [color=aquamarine shape=rarrow style=filled]
	"33 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 141 [label=0.000]
	142 [color=aquamarine shape=rarrow style=filled]
	"35 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 142 [label=0.000]
	143 [color=aquamarine shape=rarrow style=filled]
	"35 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 143 [label=0.000]
	144 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 144 [label=0.000]
	145 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 145 [label=0.000]
	146 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 146 [label=0.000]
	147 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 147 [label=0.000]
	148 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 148 [label=0.000]
	149 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 149 [label=0.000]
	150 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 150 [label=0.000]
	151 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 151 [label=0.000]
	152 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 152 [label=0.000]
	153 [color=aquamarine shape=rarrow style=filled]
	"37 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 153 [label=0.000]
	154 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 154 [label=0.000]
	155 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 155 [label=0.000]
	156 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 156 [label=0.000]
	157 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 157 [label=0.000]
	158 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 158 [label=0.000]
	159 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 159 [label=0.000]
	160 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 160 [label=0.000]
	161 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 161 [label=0.000]
	162 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 162 [label=0.000]
	163 [color=aquamarine shape=rarrow style=filled]
	"39 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 163 [label=0.000]
	164 [color=aquamarine shape=rarrow style=filled]
	"40 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" -> 164 [label=0.000]
	165 [color=aquamarine shape=rarrow style=filled]
	"42 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 165 [label=0.000]
	166 [color=aquamarine shape=rarrow style=filled]
	"42 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 166 [label=0.000]
	167 [color=aquamarine shape=rarrow style=filled]
	"43 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" -> 167 [label=0.000]
	168 [color=aquamarine shape=rarrow style=filled]
	"43 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" -> 168 [label=0.000]
	169 [color=aquamarine shape=rarrow style=filled]
	"44 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" -> 169 [label=0.000]
	170 [color=aquamarine shape=rarrow style=filled]
	"44 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" -> 170 [label=0.000]
	171 [color=aquamarine shape=rarrow style=filled]
	"44 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" -> 171 [label=0.000]
	172 [color=aquamarine shape=rarrow style=filled]
	"45 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" -> 172 [label=0.000]
	173 [color=aquamarine shape=rarrow style=filled]
	"45 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" -> 173 [label=0.000]
	174 [color=aquamarine shape=rarrow style=filled]
	"46 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 174 [label=0.000]
	175 [color=aquamarine shape=rarrow style=filled]
	"46 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 175 [label=0.000]
	176 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 176 [label=0.000]
	177 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 177 [label=0.000]
	178 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 178 [label=0.000]
	179 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 179 [label=0.000]
	180 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 180 [label=0.000]
	181 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 181 [label=0.000]
	182 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 182 [label=0.000]
	183 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 183 [label=0.000]
	184 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 184 [label=0.000]
	185 [color=aquamarine shape=rarrow style=filled]
	"47 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 185 [label=0.000]
	186 [color=lightblue shape=rarrow style=filled]
	"62 | Clc1nc(Br)nc2ccsc12" -> 186 [label=0.000]
	187 [color=lightblue shape=rarrow style=filled]
	"62 | Clc1nc(Br)nc2ccsc12" -> 187 [label=0.000]
	188 [color=aquamarine shape=rarrow style=filled]
	"62 | Clc1nc(Br)nc2ccsc12" -> 188 [label=0.000]
	189 [color=lightblue shape=rarrow style=filled]
	"68 | Clc1nc(Br)nc2ccsc12" -> 189 [label=0.000]
	190 [color=lightblue shape=rarrow style=filled]
	"68 | Clc1nc(Br)nc2ccsc12" -> 190 [label=0.000]
	191 [color=aquamarine shape=rarrow style=filled]
	"68 | Clc1nc(Br)nc2ccsc12" -> 191 [label=0.000]
	192 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 192 [label=0.000]
	193 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 193 [label=0.000]
	194 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 194 [label=0.000]
	195 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 195 [label=0.000]
	196 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 196 [label=0.000]
	197 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 197 [label=0.000]
	198 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 198 [label=0.000]
	199 [color=aquamarine shape=rarrow style=filled]
	"69 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 199 [label=0.000]
	200 [color=aquamarine shape=rarrow style=filled]
	"71 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 200 [label=0.000]
	201 [color=aquamarine shape=rarrow style=filled]
	"71 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 201 [label=0.000]
	202 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 202 [label=0.000]
	203 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 203 [label=0.000]
	204 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 204 [label=0.000]
	205 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 205 [label=0.000]
	206 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 206 [label=0.000]
	207 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 207 [label=0.000]
	208 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 208 [label=0.000]
	209 [color=aquamarine shape=rarrow style=filled]
	"74 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 209 [label=0.000]
	210 [color=aquamarine shape=rarrow style=filled]
	"75 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 210 [label=0.000]
	211 [color=aquamarine shape=rarrow style=filled]
	"75 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 211 [label=0.000]
	212 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 212 [label=0.000]
	213 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 213 [label=0.000]
	214 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 214 [label=0.000]
	215 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 215 [label=0.000]
	216 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 216 [label=0.000]
	217 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 217 [label=0.000]
	218 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 218 [label=0.000]
	219 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 219 [label=0.000]
	220 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 220 [label=0.000]
	221 [color=aquamarine shape=rarrow style=filled]
	"77 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)N2" -> 221 [label=0.000]
	222 [color=aquamarine shape=rarrow style=filled]
	"79 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 222 [label=0.000]
	223 [color=aquamarine shape=rarrow style=filled]
	"79 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 223 [label=0.000]
	224 [color=aquamarine shape=rarrow style=filled]
	"80 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)O" -> 224 [label=0.000]
	225 [color=aquamarine shape=rarrow style=filled]
	"80 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)O" -> 225 [label=0.000]
	226 [color=aquamarine shape=rarrow style=filled]
	"81 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" -> 226 [label=0.000]
	227 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 227 [label=0.000]
	228 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 228 [label=0.000]
	229 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 229 [label=0.000]
	230 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 230 [label=0.000]
	231 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 231 [label=0.000]
	232 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 232 [label=0.000]
	233 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 233 [label=0.000]
	234 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 234 [label=0.000]
	235 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 235 [label=0.000]
	236 [color=aquamarine shape=rarrow style=filled]
	"83 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 236 [label=0.000]
	237 [color=lightblue shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 237 [label=0.000]
	238 [color=lightblue shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 238 [label=0.000]
	239 [color=aquamarine shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 239 [label=0.000]
	240 [color=aquamarine shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 240 [label=0.000]
	241 [color=aquamarine shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 241 [label=0.000]
	242 [color=aquamarine shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 242 [label=0.000]
	243 [color=aquamarine shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 243 [label=0.000]
	244 [color=aquamarine shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 244 [label=0.000]
	245 [color=aquamarine shape=rarrow style=filled]
	"96 | N=C(O)c1sccc1N" -> 245 [label=0.000]
	246 [color=aquamarine shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 246 [label=0.000]
	247 [color=lightblue shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 247 [label=0.000]
	248 [color=aquamarine shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 248 [label=0.000]
	249 [color=aquamarine shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 249 [label=0.000]
	250 [color=aquamarine shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 250 [label=0.000]
	251 [color=lightblue shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 251 [label=0.000]
	252 [color=aquamarine shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 252 [label=0.000]
	253 [color=aquamarine shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 253 [label=0.000]
	254 [color=aquamarine shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 254 [label=0.000]
	255 [color=lightblue shape=rarrow style=filled]
	"99 | Oc1nc(Br)nc2ccsc12" -> 255 [label=0.000]
	256 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 256 [label=0.000]
	257 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 257 [label=0.000]
	258 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 258 [label=0.000]
	259 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 259 [label=0.000]
	260 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 260 [label=0.000]
	261 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 261 [label=0.000]
	262 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 262 [label=0.000]
	263 [color=aquamarine shape=rarrow style=filled]
	"105 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 263 [label=0.000]
	264 [color=aquamarine shape=rarrow style=filled]
	"107 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 264 [label=0.000]
	265 [color=aquamarine shape=rarrow style=filled]
	"107 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 265 [label=0.000]
	266 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 266 [label=0.000]
	267 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 267 [label=0.000]
	268 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 268 [label=0.000]
	269 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 269 [label=0.000]
	270 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 270 [label=0.000]
	271 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 271 [label=0.000]
	272 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 272 [label=0.000]
	273 [color=aquamarine shape=rarrow style=filled]
	"110 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 273 [label=0.000]
	274 [color=aquamarine shape=rarrow style=filled]
	"111 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 274 [label=0.000]
	275 [color=aquamarine shape=rarrow style=filled]
	"111 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3ncnc4ccsc34)C[C@H]1C(=O)N2" -> 275 [label=0.000]
	276 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 276 [label=0.000]
	277 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 277 [label=0.000]
	278 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 278 [label=0.000]
	279 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 279 [label=0.000]
	280 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 280 [label=0.000]
	281 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 281 [label=0.000]
	282 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 282 [label=0.000]
	283 [color=aquamarine shape=rarrow style=filled]
	"113 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 283 [label=0.000]
	284 [color=aquamarine shape=rarrow style=filled]
	"115 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 284 [label=0.000]
	285 [color=aquamarine shape=rarrow style=filled]
	"115 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 285 [label=0.000]
	286 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 286 [label=0.000]
	287 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 287 [label=0.000]
	288 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 288 [label=0.000]
	289 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 289 [label=0.000]
	290 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 290 [label=0.000]
	291 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 291 [label=0.000]
	292 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 292 [label=0.000]
	293 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 293 [label=0.000]
	294 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 294 [label=0.000]
	295 [color=aquamarine shape=rarrow style=filled]
	"118 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 295 [label=0.000]
	296 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" -> 296 [label=0.000]
	297 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" -> 297 [label=0.000]
	298 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 298 [label=0.000]
	299 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 299 [label=0.000]
	300 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 300 [label=0.000]
	301 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 301 [label=0.000]
	302 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 302 [label=0.000]
	303 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 303 [label=0.000]
	304 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 304 [label=0.000]
	305 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 305 [label=0.000]
	306 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 306 [label=0.000]
	307 [color=aquamarine shape=rarrow style=filled]
	"120 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 307 [label=0.000]
	308 [color=aquamarine shape=rarrow style=filled]
	"121 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 308 [label=0.000]
	309 [color=aquamarine shape=rarrow style=filled]
	"121 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 309 [label=0.000]
	310 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 310 [label=0.000]
	311 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 311 [label=0.000]
	312 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 312 [label=0.000]
	313 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 313 [label=0.000]
	314 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 314 [label=0.000]
	315 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 315 [label=0.000]
	316 [color=aquamarine shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 316 [label=0.000]
	317 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 317 [label=0.000]
	318 [color=lightblue shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 318 [label=0.000]
	319 [color=aquamarine shape=rarrow style=filled]
	"122 | Clc1nc(-c2ccccn2)nc2ccsc12" -> 319 [label=0.000]
	320 [color=aquamarine shape=rarrow style=filled]
	"124 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 320 [label=0.000]
	321 [color=aquamarine shape=rarrow style=filled]
	"124 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 321 [label=0.000]
	322 [color=aquamarine shape=rarrow style=filled]
	"126 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 322 [label=0.000]
	323 [color=aquamarine shape=rarrow style=filled]
	"126 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 323 [label=0.000]
	324 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 324 [label=0.000]
	325 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 325 [label=0.000]
	326 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 326 [label=0.000]
	327 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 327 [label=0.000]
	328 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 328 [label=0.000]
	329 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 329 [label=0.000]
	330 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 330 [label=0.000]
	331 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 331 [label=0.000]
	332 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 332 [label=0.000]
	333 [color=aquamarine shape=rarrow style=filled]
	"128 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 333 [label=0.000]
	334 [color=aquamarine shape=rarrow style=filled]
	"129 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 334 [label=0.000]
	335 [color=aquamarine shape=rarrow style=filled]
	"129 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 335 [label=0.000]
	336 [color=lightblue shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 336 [label=0.000]
	337 [color=lightblue shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 337 [label=0.000]
	338 [color=aquamarine shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 338 [label=0.000]
	339 [color=aquamarine shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 339 [label=0.000]
	340 [color=lightblue shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 340 [label=0.000]
	341 [color=lightblue shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 341 [label=0.000]
	342 [color=lightblue shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 342 [label=0.000]
	343 [color=aquamarine shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 343 [label=0.000]
	344 [color=aquamarine shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 344 [label=0.000]
	345 [color=aquamarine shape=rarrow style=filled]
	"130 | Fc1nc(-c2ccccn2)nc2ccsc12" -> 345 [label=0.000]
	346 [color=aquamarine shape=rarrow style=filled]
	"132 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 346 [label=0.000]
	347 [color=aquamarine shape=rarrow style=filled]
	"132 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 347 [label=0.000]
	348 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 348 [label=0.000]
	349 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 349 [label=0.000]
	350 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 350 [label=0.000]
	351 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 351 [label=0.000]
	352 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 352 [label=0.000]
	353 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 353 [label=0.000]
	354 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 354 [label=0.000]
	355 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 355 [label=0.000]
	356 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 356 [label=0.000]
	357 [color=aquamarine shape=rarrow style=filled]
	"134 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" -> 357 [label=0.000]
	358 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 358 [label=0.000]
	359 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 359 [label=0.000]
	360 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 360 [label=0.000]
	361 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 361 [label=0.000]
	362 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 362 [label=0.000]
	363 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 363 [label=0.000]
	364 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 364 [label=0.000]
	365 [color=aquamarine shape=rarrow style=filled]
	"135 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" -> 365 [label=0.000]
	366 [color=aquamarine shape=rarrow style=filled]
	"137 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 366 [label=0.000]
	367 [color=aquamarine shape=rarrow style=filled]
	"137 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](Oc3nc(Cl)nc4ccsc34)C[C@H]1C(=O)N2" -> 367 [label=0.000]
	"139 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	74 -> "139 | OB(O)c1ccccn1" [label=""]
	"140 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	74 -> "140 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"141 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	75 -> "141 | Brc1ccccn1" [label=""]
	"142 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	75 -> "142 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"143 | c1ccncc1" [color=lightyellow shape=box style=filled]
	76 -> "143 | c1ccncc1" [label=""]
	"144 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	76 -> "144 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"145 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	77 -> "145 | Brc1ccccn1" [label=""]
	"146 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	77 -> "146 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"147 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	78 -> "147 | Clc1ncnc2ccsc12" [label=""]
	"148 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	78 -> "148 | Brc1ccccn1" [label=""]
	"149 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	79 -> "149 | OB(O)c1ccccn1" [label=""]
	"150 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	79 -> "150 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"151 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	80 -> "151 | OB(O)c1ccccn1" [label=""]
	"152 | Clc1nc(Br)nc2ccsc12" [color=lightblue shape=box style=filled]
	80 -> "152 | Clc1nc(Br)nc2ccsc12" [label=""]
	"153 | Ic1ccccn1" [color=lightyellow shape=box style=filled]
	81 -> "153 | Ic1ccccn1" [label=""]
	"154 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	81 -> "154 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"155 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	82 -> "155 | Clc1ncnc2ccsc12" [label=""]
	"156 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	82 -> "156 | OB(O)c1ccccn1" [label=""]
	"157 | c1ccncc1" [color=lightyellow shape=box style=filled]
	83 -> "157 | c1ccncc1" [label=""]
	"158 | Clc1nc(Br)nc2ccsc12" [color=lightblue shape=box style=filled]
	83 -> "158 | Clc1nc(Br)nc2ccsc12" [label=""]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=aquamarine shape=box style=filled]
	84 -> "159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [color=aquamarine shape=box style=filled]
	85 -> "160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [label=""]
	"161 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	85 -> "161 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"162 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	86 -> "162 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" [color=aquamarine shape=box style=filled]
	86 -> "163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"164 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=aquamarine shape=box style=filled]
	87 -> "164 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [color=aquamarine shape=box style=filled]
	88 -> "165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [label=""]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [color=aquamarine shape=box style=filled]
	89 -> "166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [label=""]
	"167 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [color=aquamarine shape=box style=filled]
	90 -> "167 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [label=""]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" [color=aquamarine shape=box style=filled]
	91 -> "168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"169 | O=CN1C[C@H](O)C[C@H]1C(=O)O" [color=lightyellow shape=box style=filled]
	92 -> "169 | O=CN1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [color=lightblue shape=box style=filled]
	92 -> "170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [label=""]
	"171 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	93 -> "171 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"172 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	94 -> "172 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"173 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	94 -> "173 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"174 | Clc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	95 -> "174 | Clc1ncc2sccc2n1" [label=""]
	"175 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	95 -> "175 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"176 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	96 -> "176 | Clc1ncnc2ccsc12" [label=""]
	"177 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	96 -> "177 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"178 | c1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	97 -> "178 | c1ncc2sccc2n1" [label=""]
	"179 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	97 -> "179 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"180 | COC(=O)[C@@]1(NC(=O)[C@@H]2CCCN2)C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [color=lightgrey shape=box style=filled]
	98 -> "180 | COC(=O)[C@@]1(NC(=O)[C@@H]2CCCN2)C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"181 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	99 -> "181 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"182 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	99 -> "182 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"183 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	100 -> "183 | CC(C)(C)OC(=O)O" [label=""]
	"184 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	100 -> "184 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"185 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	100 -> "185 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"186 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	101 -> "186 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"187 | CC(C)(C)OC([O])=O" [color=lightgrey shape=box style=filled]
	101 -> "187 | CC(C)(C)OC([O])=O" [label=""]
	"188 | CC(C)(C)O[C]=O" [color=lightgrey shape=box style=filled]
	101 -> "188 | CC(C)(C)O[C]=O" [label=""]
	"189 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	102 -> "189 | CC(C)(C)OC(=O)O" [label=""]
	"190 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	102 -> "190 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"191 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	103 -> "191 | CC(C)(C)OC(=O)O" [label=""]
	"192 | CC(C)(C)OC(=O)Cl" [color=lightyellow shape=box style=filled]
	103 -> "192 | CC(C)(C)OC(=O)Cl" [label=""]
	"193 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	103 -> "193 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"194 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	104 -> "194 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"195 | CC(C)(C)OC([O])=O" [color=lightgrey shape=box style=filled]
	104 -> "195 | CC(C)(C)OC([O])=O" [label=""]
	"196 | CC(C)(C)O[C]=O" [color=lightgrey shape=box style=filled]
	104 -> "196 | CC(C)(C)O[C]=O" [label=""]
	"197 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	105 -> "197 | CC(C)(C)OC(=O)O" [label=""]
	"198 | CC(C)(C)OC([O])=O" [color=lightgrey shape=box style=filled]
	105 -> "198 | CC(C)(C)OC([O])=O" [label=""]
	"199 | CC(C)(C)O[C]=O" [color=lightgrey shape=box style=filled]
	105 -> "199 | CC(C)(C)O[C]=O" [label=""]
	"200 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	105 -> "200 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"201 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	106 -> "201 | CC(C)(C)OC(=O)O" [label=""]
	"202 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	106 -> "202 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"203 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	106 -> "203 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"204 | CC(C)(C)OC(=O)O" [color=lightgrey shape=box style=filled]
	107 -> "204 | CC(C)(C)OC(=O)O" [label=""]
	"205 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	107 -> "205 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2" [label=""]
	"206 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	108 -> "206 | Oc1ncnc2ccsc12" [label=""]
	"207 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	108 -> "207 | Brc1ccccn1" [label=""]
	"208 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	109 -> "208 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"209 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	109 -> "209 | OB(O)c1ccccn1" [label=""]
	"210 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	110 -> "210 | Brc1ccccn1" [label=""]
	"211 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	110 -> "211 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"212 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	111 -> "212 | Oc1ncnc2ccsc12" [label=""]
	"213 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	111 -> "213 | OB(O)c1ccccn1" [label=""]
	"214 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	112 -> "214 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"215 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	112 -> "215 | OB(O)c1ccccn1" [label=""]
	"216 | O=Cc1ccccn1" [color=lightyellow shape=box style=filled]
	113 -> "216 | O=Cc1ccccn1" [label=""]
	"217 | N=C(O)c1sccc1N" [color=lightgrey shape=box style=filled]
	113 -> "217 | N=C(O)c1sccc1N" [label=""]
	"218 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	114 -> "218 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"219 | c1ccncc1" [color=lightyellow shape=box style=filled]
	114 -> "219 | c1ccncc1" [label=""]
	"220 | Oc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	115 -> "220 | Oc1nc(Br)nc2ccsc12" [label=""]
	"221 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	115 -> "221 | OB(O)c1ccccn1" [label=""]
	"222 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	116 -> "222 | Brc1ccccn1" [label=""]
	"223 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	116 -> "223 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"224 | CC1(C)OB(c2ccccn2)OC1(C)C" [color=lightyellow shape=box style=filled]
	117 -> "224 | CC1(C)OB(c2ccccn2)OC1(C)C" [label=""]
	"225 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	117 -> "225 | Oc1ncnc2ccsc12" [label=""]
	"226 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	118 -> "226 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"227 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	118 -> "227 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"228 | Clc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	119 -> "228 | Clc1ncc2sccc2n1" [label=""]
	"229 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	119 -> "229 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"230 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	120 -> "230 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"231 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	121 -> "231 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [label=""]
	"232 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	122 -> "232 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)O" [label=""]
	"233 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)=O)C(=O)N2" [color=lightgrey shape=box style=filled]
	123 -> "233 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)=O)C(=O)N2" [label=""]
	"234 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	124 -> "234 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [label=""]
	"235 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	125 -> "235 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [label=""]
	"236 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)O)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	126 -> "236 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)O)C[C@H]1C=CCCCCCCN" [label=""]
	"237 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [color=lightgrey shape=box style=filled]
	127 -> "237 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [label=""]
	"238 | [O]Cc1ccccc1" [color=lightgrey shape=box style=filled]
	128 -> "238 | [O]Cc1ccccc1" [label=""]
	"239 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N[C]=O)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	128 -> "239 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N[C]=O)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [label=""]
	"240 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N[C@@H](CC(=O)CBr)C(=O)N2" [color=lightgrey shape=box style=filled]
	129 -> "240 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N[C@@H](CC(=O)CBr)C(=O)N2" [label=""]
	"241 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	130 -> "241 | Oc1ncnc2ccsc12" [label=""]
	"242 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	130 -> "242 | Brc1ccccn1" [label=""]
	"243 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	131 -> "243 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"244 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	131 -> "244 | OB(O)c1ccccn1" [label=""]
	"245 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	132 -> "245 | Brc1ccccn1" [label=""]
	"246 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	132 -> "246 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"247 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	133 -> "247 | Oc1ncnc2ccsc12" [label=""]
	"248 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	133 -> "248 | OB(O)c1ccccn1" [label=""]
	"249 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	134 -> "249 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"250 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	134 -> "250 | OB(O)c1ccccn1" [label=""]
	"251 | O=Cc1ccccn1" [color=lightyellow shape=box style=filled]
	135 -> "251 | O=Cc1ccccn1" [label=""]
	"252 | N=C(O)c1sccc1N" [color=lightgrey shape=box style=filled]
	135 -> "252 | N=C(O)c1sccc1N" [label=""]
	"253 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	136 -> "253 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"254 | c1ccncc1" [color=lightyellow shape=box style=filled]
	136 -> "254 | c1ccncc1" [label=""]
	"255 | Oc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	137 -> "255 | Oc1nc(Br)nc2ccsc12" [label=""]
	"256 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	137 -> "256 | OB(O)c1ccccn1" [label=""]
	"257 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	138 -> "257 | Brc1ccccn1" [label=""]
	"258 | Oc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	138 -> "258 | Oc1nc(Cl)nc2ccsc12" [label=""]
	"259 | CC1(C)OB(c2ccccn2)OC1(C)C" [color=lightyellow shape=box style=filled]
	139 -> "259 | CC1(C)OB(c2ccccn2)OC1(C)C" [label=""]
	"260 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	139 -> "260 | Oc1ncnc2ccsc12" [label=""]
	"261 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	140 -> "261 | Clc1ncnc2ccsc12" [label=""]
	"262 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	140 -> "262 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"263 | c1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	141 -> "263 | c1ncc2sccc2n1" [label=""]
	"264 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	141 -> "264 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"265 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	142 -> "265 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"266 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	142 -> "266 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"267 | Clc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	143 -> "267 | Clc1ncc2sccc2n1" [label=""]
	"268 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	143 -> "268 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"269 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	144 -> "269 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" [label=""]
	"270 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	144 -> "270 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"271 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	145 -> "271 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"272 | Clc1nc(-c2ccccn2)nc2ccsc12" [color=lightgrey shape=box style=filled]
	145 -> "272 | Clc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"273 | c1ccc(-c2ncc3sccc3n2)nc1" [color=lightgrey shape=box style=filled]
	146 -> "273 | c1ccc(-c2ncc3sccc3n2)nc1" [label=""]
	"274 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [color=lightgrey shape=box style=filled]
	146 -> "274 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"275 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	147 -> "275 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [label=""]
	"276 | N[C@@H](CCCCCC=O)C(=O)O" [color=lightgrey shape=box style=filled]
	147 -> "276 | N[C@@H](CCCCCC=O)C(=O)O" [label=""]
	"277 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	148 -> "277 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"278 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	148 -> "278 | OB(O)c1ccccn1" [label=""]
	"279 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	149 -> "279 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"280 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	149 -> "280 | Brc1ccccn1" [label=""]
	"281 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	150 -> "281 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"282 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	150 -> "282 | Brc1ccccn1" [label=""]
	"283 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	151 -> "283 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"284 | Fc1nc(-c2ccccn2)nc2ccsc12" [color=lightgrey shape=box style=filled]
	151 -> "284 | Fc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"285 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	152 -> "285 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"286 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	152 -> "286 | OB(O)c1ccccn1" [label=""]
	"287 | CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [color=lightyellow shape=box style=filled]
	153 -> "287 | CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"288 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	153 -> "288 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [label=""]
	"289 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	154 -> "289 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"290 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [color=lightgrey shape=box style=filled]
	155 -> "290 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [label=""]
	"291 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	155 -> "291 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"292 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	156 -> "292 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"293 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	156 -> "293 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"294 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	157 -> "294 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"295 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [color=lightgrey shape=box style=filled]
	158 -> "295 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [label=""]
	"296 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	159 -> "296 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [label=""]
	"297 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	160 -> "297 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [label=""]
	"298 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	161 -> "298 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"299 | O=CN1C[C@H](O)C[C@H]1C(=O)O" [color=lightyellow shape=box style=filled]
	162 -> "299 | O=CN1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"300 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	162 -> "300 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [label=""]
	"301 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	163 -> "301 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"302 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [color=lightgrey shape=box style=filled]
	164 -> "302 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [label=""]
	"303 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	164 -> "303 | O=C(O)CC1CC1" [label=""]
	"304 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	165 -> "304 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"305 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	165 -> "305 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"306 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	166 -> "306 | O=C(O)CC1CC1" [label=""]
	"307 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	166 -> "307 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"308 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	167 -> "308 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"309 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	167 -> "309 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"310 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	168 -> "310 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"311 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	168 -> "311 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"312 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	169 -> "312 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"313 | O=C1CN[C@H](C(=O)O)C1" [color=lightyellow shape=box style=filled]
	169 -> "313 | O=C1CN[C@H](C(=O)O)C1" [label=""]
	"314 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C=O" [color=lightgrey shape=box style=filled]
	170 -> "314 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C=O" [label=""]
	"315 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	170 -> "315 | O=C(O)CC1CC1" [label=""]
	"316 | NCCCCCCC=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CC(=O)CN1)C(=O)OC=O" [color=lightgrey shape=box style=filled]
	171 -> "316 | NCCCCCCC=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CC(=O)CN1)C(=O)OC=O" [label=""]
	"317 | O=C[Br+]Br" [color=lightgrey shape=box style=filled]
	171 -> "317 | O=C[Br+]Br" [label=""]
	"318 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	171 -> "318 | ClC(Cl)(Cl)Cl" [label=""]
	"319 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	171 -> "319 | O=C(O)CC1CC1" [label=""]
	"320 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	172 -> "320 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"321 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	172 -> "321 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"322 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	173 -> "322 | O=C(O)CC1CC1" [label=""]
	"323 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [color=lightgrey shape=box style=filled]
	173 -> "323 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [label=""]
	"324 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	174 -> "324 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"325 | O=C1CN[C@H](C(=O)O)C1" [color=lightyellow shape=box style=filled]
	174 -> "325 | O=C1CN[C@H](C(=O)O)C1" [label=""]
	"326 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	175 -> "326 | O=C(O)CC1CC1" [label=""]
	"327 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	175 -> "327 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"328 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	176 -> "328 | O=C(O)CC1CC1" [label=""]
	"329 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	176 -> "329 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"330 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	177 -> "330 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"331 | COC(=O)[C@@]1(N)C[C@H]1C" [color=lightgrey shape=box style=filled]
	177 -> "331 | COC(=O)[C@@]1(N)C[C@H]1C" [label=""]
	"332 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	178 -> "332 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"333 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	178 -> "333 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"334 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	179 -> "334 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"335 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	179 -> "335 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"336 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	180 -> "336 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [label=""]
	"337 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	180 -> "337 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"338 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	181 -> "338 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"339 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [color=lightgrey shape=box style=filled]
	181 -> "339 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [label=""]
	"340 | COC(=O)[C@@]1(N)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	182 -> "340 | COC(=O)[C@@]1(N)C[C@H]1C=O" [label=""]
	"341 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	182 -> "341 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"342 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	183 -> "342 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"343 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	183 -> "343 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"344 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	184 -> "344 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"345 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	184 -> "345 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"346 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	185 -> "346 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"347 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	185 -> "347 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"348 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	186 -> "348 | O=C1CCC(=O)N1Cl" [label=""]
	"349 | Brc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	186 -> "349 | Brc1ncc2sccc2n1" [label=""]
	"350 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	187 -> "350 | Clc1ncnc2ccsc12" [label=""]
	"351 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	187 -> "351 | O=C1CCC(=O)N1Br" [label=""]
	"352 | Clc1nc(Br)ncc1Br" [color=lightyellow shape=box style=filled]
	188 -> "352 | Clc1nc(Br)ncc1Br" [label=""]
	"353 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	188 -> "353 | O=C1CCC(=O)N1Br" [label=""]
	"354 | O=CC(=O)S" [color=lightgrey shape=box style=filled]
	188 -> "354 | O=CC(=O)S" [label=""]
	"355 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	189 -> "355 | O=C1CCC(=O)N1Cl" [label=""]
	"356 | Brc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	189 -> "356 | Brc1ncc2sccc2n1" [label=""]
	"357 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	190 -> "357 | Clc1ncnc2ccsc12" [label=""]
	"358 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	190 -> "358 | O=C1CCC(=O)N1Br" [label=""]
	"359 | Clc1nc(Br)ncc1Br" [color=lightyellow shape=box style=filled]
	191 -> "359 | Clc1nc(Br)ncc1Br" [label=""]
	"360 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	191 -> "360 | O=C1CCC(=O)N1Br" [label=""]
	"361 | O=CC(=O)S" [color=lightgrey shape=box style=filled]
	191 -> "361 | O=CC(=O)S" [label=""]
	"362 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	192 -> "362 | O=C(O)CC1CC1" [label=""]
	"363 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	192 -> "363 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"364 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	193 -> "364 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"365 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	193 -> "365 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"366 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	194 -> "366 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"367 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	195 -> "367 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"368 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	196 -> "368 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"369 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	197 -> "369 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"370 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	198 -> "370 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"371 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	199 -> "371 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"372 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	199 -> "372 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"373 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	200 -> "373 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"374 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	200 -> "374 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"375 | Clc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	201 -> "375 | Clc1ncc2sccc2n1" [label=""]
	"376 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	201 -> "376 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"377 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	202 -> "377 | O=C(O)CC1CC1" [label=""]
	"378 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	202 -> "378 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"379 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	203 -> "379 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"380 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	203 -> "380 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"381 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	204 -> "381 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"382 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	205 -> "382 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"383 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	206 -> "383 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"384 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	207 -> "384 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"385 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	208 -> "385 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"386 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	209 -> "386 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"387 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	209 -> "387 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"388 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	210 -> "388 | Clc1ncnc2ccsc12" [label=""]
	"389 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	210 -> "389 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"390 | c1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	211 -> "390 | c1ncc2sccc2n1" [label=""]
	"391 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	211 -> "391 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"392 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	212 -> "392 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"393 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	213 -> "393 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [label=""]
	"394 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	214 -> "394 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1CC(=O)C[C@H]1C(=O)O" [label=""]
	"395 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)=O)C(=O)N2" [color=lightgrey shape=box style=filled]
	215 -> "395 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)=O)C(=O)N2" [label=""]
	"396 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	216 -> "396 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [label=""]
	"397 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	217 -> "397 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" [label=""]
	"398 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)O)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	218 -> "398 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C(=O)O)C[C@H]1C=CCCCCCCN" [label=""]
	"399 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [color=lightgrey shape=box style=filled]
	219 -> "399 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [label=""]
	"400 | [O]Cc1ccccc1" [color=lightgrey shape=box style=filled]
	220 -> "400 | [O]Cc1ccccc1" [label=""]
	"401 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N[C]=O)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	220 -> "401 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N[C]=O)C(=O)N1CC(=O)C[C@H]1C(=O)N2" [label=""]
	"402 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N[C@@H](CC(=O)CBr)C(=O)N2" [color=lightgrey shape=box style=filled]
	221 -> "402 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N[C@@H](CC(=O)CBr)C(=O)N2" [label=""]
	"403 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	222 -> "403 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"404 | O=C1CN[C@H](C(=O)O)C1" [color=lightyellow shape=box style=filled]
	222 -> "404 | O=C1CN[C@H](C(=O)O)C1" [label=""]
	"405 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	223 -> "405 | O=C(O)CC1CC1" [label=""]
	"406 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	223 -> "406 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"407 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	224 -> "407 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"408 | O=C1CN[C@H](C(=O)O)C1" [color=lightyellow shape=box style=filled]
	224 -> "408 | O=C1CN[C@H](C(=O)O)C1" [label=""]
	"409 | N[C@]1(C(=O)OC(=O)O)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C(=O)C1" [color=lightgrey shape=box style=filled]
	225 -> "409 | N[C@]1(C(=O)OC(=O)O)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1CC(=O)C(=O)C1" [label=""]
	"410 | O=C([O+]=[O+]O)[Cl+]Br" [color=lightgrey shape=box style=filled]
	225 -> "410 | O=C([O+]=[O+]O)[Cl+]Br" [label=""]
	"411 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [color=lightgrey shape=box style=filled]
	226 -> "411 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" [label=""]
	"412 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	226 -> "412 | O=C(O)CC1CC1" [label=""]
	"413 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	227 -> "413 | O=C(O)CC1CC1" [label=""]
	"414 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	227 -> "414 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"415 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	228 -> "415 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"416 | COC(=O)[C@@]1(N)C[C@H]1C" [color=lightgrey shape=box style=filled]
	228 -> "416 | COC(=O)[C@@]1(N)C[C@H]1C" [label=""]
	"417 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	229 -> "417 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"418 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	229 -> "418 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"419 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	230 -> "419 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"420 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	230 -> "420 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"421 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	231 -> "421 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [label=""]
	"422 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	231 -> "422 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"423 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	232 -> "423 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"424 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [color=lightgrey shape=box style=filled]
	232 -> "424 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [label=""]
	"425 | COC(=O)[C@@]1(N)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	233 -> "425 | COC(=O)[C@@]1(N)C[C@H]1C=O" [label=""]
	"426 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	233 -> "426 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"427 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	234 -> "427 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"428 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	234 -> "428 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"429 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	235 -> "429 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"430 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	235 -> "430 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"431 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	236 -> "431 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"432 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	236 -> "432 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"433 | N#CO" [color=lightyellow shape=box style=filled]
	237 -> "433 | N#CO" [label=""]
	"434 | Nc1ccsc1" [color=lightyellow shape=box style=filled]
	237 -> "434 | Nc1ccsc1" [label=""]
	"435 | N" [color=lightyellow shape=box style=filled]
	238 -> "435 | N" [label=""]
	"436 | Nc1ccsc1C(=O)O" [color=lightyellow shape=box style=filled]
	238 -> "436 | Nc1ccsc1C(=O)O" [label=""]
	"437 | N=C(O)c1sccc1[N+](=O)[O-]" [color=lightgrey shape=box style=filled]
	239 -> "437 | N=C(O)c1sccc1[N+](=O)[O-]" [label=""]
	"438 | CC(C)(C)OC(=O)NC(C=CS)=CC(=N)O" [color=lightgrey shape=box style=filled]
	240 -> "438 | CC(C)(C)OC(=O)NC(C=CS)=CC(=N)O" [label=""]
	"439 | N=C(O)C=C(N)C=CS" [color=lightgrey shape=box style=filled]
	241 -> "439 | N=C(O)C=C(N)C=CS" [label=""]
	"440 | N=C(O)C=C(N)C(Br)=CS" [color=lightgrey shape=box style=filled]
	242 -> "440 | N=C(O)C=C(N)C(Br)=CS" [label=""]
	"441 | N#CO" [color=lightyellow shape=box style=filled]
	243 -> "441 | N#CO" [label=""]
	"442 | O=Nc1ccsc1" [color=lightgrey shape=box style=filled]
	243 -> "442 | O=Nc1ccsc1" [label=""]
	"443 | N=C(O)CSC=CC(N)=O" [color=lightgrey shape=box style=filled]
	244 -> "443 | N=C(O)CSC=CC(N)=O" [label=""]
	"444 | N=C(O)C=C(N)C=C(S)Br" [color=lightgrey shape=box style=filled]
	245 -> "444 | N=C(O)C=C(N)C=C(S)Br" [label=""]
	"445 | O" [color=lightyellow shape=box style=filled]
	246 -> "445 | O" [label=""]
	"446 | Clc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	246 -> "446 | Clc1nc(Br)nc2ccsc12" [label=""]
	"447 | Oc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	247 -> "447 | Oc1ncnc2ccsc12" [label=""]
	"448 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	247 -> "448 | O=C1CCC(=O)N1Br" [label=""]
	"449 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	248 -> "449 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"450 | Clc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	248 -> "450 | Clc1nc(Br)nc2ccsc12" [label=""]
	"451 | OO" [color=lightyellow shape=box style=filled]
	249 -> "451 | OO" [label=""]
	"452 | Clc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	249 -> "452 | Clc1nc(Br)nc2ccsc12" [label=""]
	"453 | O" [color=lightyellow shape=box style=filled]
	250 -> "453 | O" [label=""]
	"454 | Brc1nc(Br)c2sccc2n1" [color=lightgrey shape=box style=filled]
	250 -> "454 | Brc1nc(Br)c2sccc2n1" [label=""]
	"455 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	251 -> "455 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"456 | Brc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	251 -> "456 | Brc1ncc2sccc2n1" [label=""]
	"457 | OBr" [color=lightgrey shape=box style=filled]
	252 -> "457 | OBr" [label=""]
	"458 | Clc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	252 -> "458 | Clc1nc(Br)nc2ccsc12" [label=""]
	"459 | O=O" [color=lightgrey shape=box style=filled]
	253 -> "459 | O=O" [label=""]
	"460 | Clc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	253 -> "460 | Clc1nc(Br)nc2ccsc12" [label=""]
	"461 | O" [color=lightyellow shape=box style=filled]
	254 -> "461 | O" [label=""]
	"462 | Fc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	254 -> "462 | Fc1nc(Br)nc2ccsc12" [label=""]
	"463 | Brc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	255 -> "463 | Brc1ncc2sccc2n1" [label=""]
	"464 | CN(C)O" [color=lightyellow shape=box style=filled]
	255 -> "464 | CN(C)O" [label=""]
	"465 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	256 -> "465 | O=C(O)CC1CC1" [label=""]
	"466 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	256 -> "466 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"467 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	257 -> "467 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"468 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	257 -> "468 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"469 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	258 -> "469 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"470 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	259 -> "470 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"471 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	260 -> "471 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"472 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	261 -> "472 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"473 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	262 -> "473 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"474 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	263 -> "474 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"475 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	263 -> "475 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"476 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	264 -> "476 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"477 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	264 -> "477 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"478 | Clc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	265 -> "478 | Clc1ncc2sccc2n1" [label=""]
	"479 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	265 -> "479 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"480 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	266 -> "480 | O=C(O)CC1CC1" [label=""]
	"481 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	266 -> "481 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"482 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	267 -> "482 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"483 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	267 -> "483 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"484 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	268 -> "484 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"485 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	269 -> "485 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"486 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	270 -> "486 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"487 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	271 -> "487 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"488 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	272 -> "488 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"489 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	273 -> "489 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"490 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	273 -> "490 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"491 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	274 -> "491 | Clc1ncnc2ccsc12" [label=""]
	"492 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	274 -> "492 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"493 | c1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	275 -> "493 | c1ncc2sccc2n1" [label=""]
	"494 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	275 -> "494 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"495 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	276 -> "495 | O=C(O)CC1CC1" [label=""]
	"496 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	276 -> "496 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"497 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	277 -> "497 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"498 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	277 -> "498 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"499 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	278 -> "499 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"500 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	279 -> "500 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"501 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	280 -> "501 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"502 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	281 -> "502 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"503 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	282 -> "503 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"504 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	283 -> "504 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"505 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	283 -> "505 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"506 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	284 -> "506 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"507 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	284 -> "507 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"508 | Clc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	285 -> "508 | Clc1ncc2sccc2n1" [label=""]
	"509 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	285 -> "509 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"510 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	286 -> "510 | O=C(O)[C@@H]1C[C@@H](Oc2nc(-c3ccccn3)nc3ccsc23)CN1" [label=""]
	"511 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	286 -> "511 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"512 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	287 -> "512 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"513 | Clc1nc(-c2ccccn2)nc2ccsc12" [color=lightgrey shape=box style=filled]
	287 -> "513 | Clc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"514 | c1ccc(-c2ncc3sccc3n2)nc1" [color=lightgrey shape=box style=filled]
	288 -> "514 | c1ccc(-c2ncc3sccc3n2)nc1" [label=""]
	"515 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [color=lightgrey shape=box style=filled]
	288 -> "515 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"516 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	289 -> "516 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [label=""]
	"517 | N[C@@H](CCCCCC=O)C(=O)O" [color=lightgrey shape=box style=filled]
	289 -> "517 | N[C@@H](CCCCCC=O)C(=O)O" [label=""]
	"518 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	290 -> "518 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"519 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	290 -> "519 | OB(O)c1ccccn1" [label=""]
	"520 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	291 -> "520 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"521 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	291 -> "521 | Brc1ccccn1" [label=""]
	"522 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	292 -> "522 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"523 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	292 -> "523 | Brc1ccccn1" [label=""]
	"524 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	293 -> "524 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"525 | Fc1nc(-c2ccccn2)nc2ccsc12" [color=lightgrey shape=box style=filled]
	293 -> "525 | Fc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"526 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	294 -> "526 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"527 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	294 -> "527 | OB(O)c1ccccn1" [label=""]
	"528 | CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [color=lightyellow shape=box style=filled]
	295 -> "528 | CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"529 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	295 -> "529 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccn4)nc4ccsc34)CN2)C[C@H]1C" [label=""]
	"530 | Clc1nc(-c2ccccn2)nc2ccsc12" [color=lightgrey shape=box style=filled]
	296 -> "530 | Clc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"531 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	296 -> "531 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"532 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	297 -> "532 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"533 | Fc1nc(-c2ccccn2)nc2ccsc12" [color=lightgrey shape=box style=filled]
	297 -> "533 | Fc1nc(-c2ccccn2)nc2ccsc12" [label=""]
	"534 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	298 -> "534 | O=C(O)CC1CC1" [label=""]
	"535 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	298 -> "535 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"536 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	299 -> "536 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"537 | COC(=O)[C@@]1(N)C[C@H]1C" [color=lightgrey shape=box style=filled]
	299 -> "537 | COC(=O)[C@@]1(N)C[C@H]1C" [label=""]
	"538 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	300 -> "538 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"539 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	300 -> "539 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"540 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	301 -> "540 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"541 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	301 -> "541 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"542 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	302 -> "542 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [label=""]
	"543 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	302 -> "543 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"544 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	303 -> "544 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"545 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [color=lightgrey shape=box style=filled]
	303 -> "545 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [label=""]
	"546 | COC(=O)[C@@]1(N)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	304 -> "546 | COC(=O)[C@@]1(N)C[C@H]1C=O" [label=""]
	"547 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	304 -> "547 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"548 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	305 -> "548 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"549 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	305 -> "549 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"550 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	306 -> "550 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"551 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	306 -> "551 | O=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"552 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	307 -> "552 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"553 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	307 -> "553 | CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"554 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	308 -> "554 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"555 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	308 -> "555 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"556 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	309 -> "556 | O=C(O)CC1CC1" [label=""]
	"557 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	309 -> "557 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"558 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	310 -> "558 | OB(O)c1ccccn1" [label=""]
	"559 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	310 -> "559 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"560 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	311 -> "560 | Brc1ccccn1" [label=""]
	"561 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	311 -> "561 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"562 | c1ccncc1" [color=lightyellow shape=box style=filled]
	312 -> "562 | c1ccncc1" [label=""]
	"563 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	312 -> "563 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"564 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	313 -> "564 | Brc1ccccn1" [label=""]
	"565 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	313 -> "565 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"566 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	314 -> "566 | Clc1ncnc2ccsc12" [label=""]
	"567 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	314 -> "567 | Brc1ccccn1" [label=""]
	"568 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	315 -> "568 | OB(O)c1ccccn1" [label=""]
	"569 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	315 -> "569 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"570 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	316 -> "570 | OB(O)c1ccccn1" [label=""]
	"571 | Clc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	316 -> "571 | Clc1nc(Br)nc2ccsc12" [label=""]
	"572 | Ic1ccccn1" [color=lightyellow shape=box style=filled]
	317 -> "572 | Ic1ccccn1" [label=""]
	"573 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	317 -> "573 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"574 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	318 -> "574 | Clc1ncnc2ccsc12" [label=""]
	"575 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	318 -> "575 | OB(O)c1ccccn1" [label=""]
	"576 | c1ccncc1" [color=lightyellow shape=box style=filled]
	319 -> "576 | c1ccncc1" [label=""]
	"577 | Clc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	319 -> "577 | Clc1nc(Br)nc2ccsc12" [label=""]
	"578 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	320 -> "578 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"579 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	320 -> "579 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"580 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	321 -> "580 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"581 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	321 -> "581 | O=C(O)CC1CC1" [label=""]
	"582 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	322 -> "582 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"583 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	322 -> "583 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"584 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	323 -> "584 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"585 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	323 -> "585 | O=C(O)CC1CC1" [label=""]
	"586 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	324 -> "586 | Clc1ncnc2ccsc12" [label=""]
	"587 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	324 -> "587 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"588 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	325 -> "588 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"589 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	325 -> "589 | O=C(O)CC1CC1" [label=""]
	"590 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	326 -> "590 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"591 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	326 -> "591 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"592 | CCOC(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	327 -> "592 | CCOC(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"593 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	327 -> "593 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"594 | [CH2]C" [color=lightgrey shape=box style=filled]
	328 -> "594 | [CH2]C" [label=""]
	"595 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	328 -> "595 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"596 | [O]C(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	328 -> "596 | [O]C(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"597 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	329 -> "597 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"598 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	329 -> "598 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"599 | CCI" [color=lightyellow shape=box style=filled]
	329 -> "599 | CCI" [label=""]
	"600 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	330 -> "600 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"601 | CCBr" [color=lightyellow shape=box style=filled]
	330 -> "601 | CCBr" [label=""]
	"602 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	330 -> "602 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"603 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	331 -> "603 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"604 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	331 -> "604 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"605 | CCO" [color=lightyellow shape=box style=filled]
	331 -> "605 | CCO" [label=""]
	"606 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	332 -> "606 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"607 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	332 -> "607 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"608 | CC=O" [color=lightgrey shape=box style=filled]
	332 -> "608 | CC=O" [label=""]
	"609 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	333 -> "609 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"610 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	333 -> "610 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"611 | C=C=O" [color=lightgrey shape=box style=filled]
	333 -> "611 | C=C=O" [label=""]
	"612 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	334 -> "612 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"613 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	334 -> "613 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"614 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	335 -> "614 | O=C(O)CC1CC1" [label=""]
	"615 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	335 -> "615 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"616 | Fc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	336 -> "616 | Fc1nc(Cl)nc2ccsc12" [label=""]
	"617 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	336 -> "617 | OB(O)c1ccccn1" [label=""]
	"618 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	337 -> "618 | Brc1ccccn1" [label=""]
	"619 | Fc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	337 -> "619 | Fc1nc(Cl)nc2ccsc12" [label=""]
	"620 | Fc1ncnc2ccsc12" [color=lightgrey shape=box style=filled]
	338 -> "620 | Fc1ncnc2ccsc12" [label=""]
	"621 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	338 -> "621 | Brc1ccccn1" [label=""]
	"622 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	339 -> "622 | OB(O)c1ccccn1" [label=""]
	"623 | Fc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	339 -> "623 | Fc1nc(Br)nc2ccsc12" [label=""]
	"624 | Fc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	340 -> "624 | Fc1nc(Cl)nc2ccsc12" [label=""]
	"625 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	340 -> "625 | OB(O)c1ccccn1" [label=""]
	"626 | c1ccncc1" [color=lightyellow shape=box style=filled]
	341 -> "626 | c1ccncc1" [label=""]
	"627 | Fc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	341 -> "627 | Fc1nc(Cl)nc2ccsc12" [label=""]
	"628 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	342 -> "628 | Brc1ccccn1" [label=""]
	"629 | Fc1nc(Cl)nc2ccsc12" [color=lightyellow shape=box style=filled]
	342 -> "629 | Fc1nc(Cl)nc2ccsc12" [label=""]
	"630 | Fc1ncnc2ccsc12" [color=lightgrey shape=box style=filled]
	343 -> "630 | Fc1ncnc2ccsc12" [label=""]
	"631 | OB(O)c1ccccn1" [color=lightyellow shape=box style=filled]
	343 -> "631 | OB(O)c1ccccn1" [label=""]
	"632 | c1ccncc1" [color=lightyellow shape=box style=filled]
	344 -> "632 | c1ccncc1" [label=""]
	"633 | Fc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	344 -> "633 | Fc1nc(Br)nc2ccsc12" [label=""]
	"634 | Brc1ccccn1" [color=lightyellow shape=box style=filled]
	345 -> "634 | Brc1ccccn1" [label=""]
	"635 | Fc1nc(Br)nc2ccsc12" [color=lightgrey shape=box style=filled]
	345 -> "635 | Fc1nc(Br)nc2ccsc12" [label=""]
	"636 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	346 -> "636 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"637 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	346 -> "637 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"638 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	347 -> "638 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"639 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	347 -> "639 | O=C(O)CC1CC1" [label=""]
	"640 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	348 -> "640 | Clc1ncnc2ccsc12" [label=""]
	"641 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	348 -> "641 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"642 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	349 -> "642 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](Oc3ncnc4ccsc34)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"643 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	349 -> "643 | O=C(O)CC1CC1" [label=""]
	"644 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	350 -> "644 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"645 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	350 -> "645 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"646 | CCOC(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	351 -> "646 | CCOC(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"647 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	351 -> "647 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"648 | [CH2]C" [color=lightgrey shape=box style=filled]
	352 -> "648 | [CH2]C" [label=""]
	"649 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	352 -> "649 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"650 | [O]C(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	352 -> "650 | [O]C(=O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"651 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	353 -> "651 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"652 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	353 -> "652 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"653 | CCI" [color=lightyellow shape=box style=filled]
	353 -> "653 | CCI" [label=""]
	"654 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	354 -> "654 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"655 | CCBr" [color=lightyellow shape=box style=filled]
	354 -> "655 | CCBr" [label=""]
	"656 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	354 -> "656 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"657 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	355 -> "657 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"658 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	355 -> "658 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"659 | CCO" [color=lightyellow shape=box style=filled]
	355 -> "659 | CCO" [label=""]
	"660 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	356 -> "660 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"661 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	356 -> "661 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"662 | CC=O" [color=lightgrey shape=box style=filled]
	356 -> "662 | CC=O" [label=""]
	"663 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [color=lightgrey shape=box style=filled]
	357 -> "663 | O=C(O)[C@@H]1C[C@@H](Oc2ncnc3ccsc23)CN1" [label=""]
	"664 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	357 -> "664 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"665 | C=C=O" [color=lightgrey shape=box style=filled]
	357 -> "665 | C=C=O" [label=""]
	"666 | O=C(O)CC1CC1" [color=lightyellow shape=box style=filled]
	358 -> "666 | O=C(O)CC1CC1" [label=""]
	"667 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	358 -> "667 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"668 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	359 -> "668 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"669 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	359 -> "669 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"670 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	360 -> "670 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"671 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	361 -> "671 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"672 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [color=lightgrey shape=box style=filled]
	362 -> "672 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)CC1CC1" [label=""]
	"673 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	363 -> "673 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)Cl" [label=""]
	"674 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	364 -> "674 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"675 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	365 -> "675 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)CC1CC1)C(=O)O" [label=""]
	"676 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	365 -> "676 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"677 | Clc1nc(Cl)c2sccc2n1" [color=lightyellow shape=box style=filled]
	366 -> "677 | Clc1nc(Cl)c2sccc2n1" [label=""]
	"678 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	366 -> "678 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"679 | Clc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	367 -> "679 | Clc1ncc2sccc2n1" [label=""]
	"680 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	367 -> "680 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	368 [color=lightblue shape=rarrow style=filled]
	"152 | Clc1nc(Br)nc2ccsc12" -> 368 [label=0.000]
	369 [color=lightblue shape=rarrow style=filled]
	"152 | Clc1nc(Br)nc2ccsc12" -> 369 [label=0.000]
	370 [color=aquamarine shape=rarrow style=filled]
	"152 | Clc1nc(Br)nc2ccsc12" -> 370 [label=0.000]
	371 [color=lightblue shape=rarrow style=filled]
	"158 | Clc1nc(Br)nc2ccsc12" -> 371 [label=0.000]
	372 [color=lightblue shape=rarrow style=filled]
	"158 | Clc1nc(Br)nc2ccsc12" -> 372 [label=0.000]
	373 [color=aquamarine shape=rarrow style=filled]
	"158 | Clc1nc(Br)nc2ccsc12" -> 373 [label=0.000]
	374 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 374 [label=0.000]
	375 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 375 [label=0.000]
	376 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 376 [label=0.000]
	377 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 377 [label=0.000]
	378 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 378 [label=0.000]
	379 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 379 [label=0.000]
	380 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 380 [label=0.000]
	381 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 381 [label=0.000]
	382 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 382 [label=0.000]
	383 [color=aquamarine shape=rarrow style=filled]
	"159 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" -> 383 [label=0.000]
	384 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 384 [label=0.000]
	385 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 385 [label=0.000]
	386 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 386 [label=0.000]
	387 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 387 [label=0.000]
	388 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 388 [label=0.000]
	389 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 389 [label=0.000]
	390 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 390 [label=0.000]
	391 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 391 [label=0.000]
	392 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 392 [label=0.000]
	393 [color=aquamarine shape=rarrow style=filled]
	"160 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C=O" -> 393 [label=0.000]
	394 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 394 [label=0.000]
	395 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 395 [label=0.000]
	396 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 396 [label=0.000]
	397 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 397 [label=0.000]
	398 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 398 [label=0.000]
	399 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 399 [label=0.000]
	400 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 400 [label=0.000]
	401 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 401 [label=0.000]
	402 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 402 [label=0.000]
	403 [color=aquamarine shape=rarrow style=filled]
	"163 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)N2" -> 403 [label=0.000]
	404 [color=aquamarine shape=rarrow style=filled]
	"164 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O" -> 404 [label=0.000]
	405 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 405 [label=0.000]
	406 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 406 [label=0.000]
	407 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 407 [label=0.000]
	408 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 408 [label=0.000]
	409 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 409 [label=0.000]
	410 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 410 [label=0.000]
	411 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 411 [label=0.000]
	412 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 412 [label=0.000]
	413 [color=aquamarine shape=rarrow style=filled]
	"165 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" -> 413 [label=0.000]
	414 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 414 [label=0.000]
	415 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 415 [label=0.000]
	416 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 416 [label=0.000]
	417 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 417 [label=0.000]
	418 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 418 [label=0.000]
	419 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 419 [label=0.000]
	420 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 420 [label=0.000]
	421 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 421 [label=0.000]
	422 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 422 [label=0.000]
	423 [color=aquamarine shape=rarrow style=filled]
	"166 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" -> 423 [label=0.000]
	424 [color=aquamarine shape=rarrow style=filled]
	"167 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" -> 424 [label=0.000]
	425 [color=aquamarine shape=rarrow style=filled]
	"167 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cl)C[C@H]1C=CCCCCCCN" -> 425 [label=0.000]
	426 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 426 [label=0.000]
	427 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 427 [label=0.000]
	428 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 428 [label=0.000]
	429 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 429 [label=0.000]
	430 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 430 [label=0.000]
	431 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 431 [label=0.000]
	432 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 432 [label=0.000]
	433 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 433 [label=0.000]
	434 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 434 [label=0.000]
	435 [color=aquamarine shape=rarrow style=filled]
	"168 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C=CCCCCCC(N)=O" -> 435 [label=0.000]
	436 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 436 [label=0.000]
	437 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 437 [label=0.000]
	438 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 438 [label=0.000]
	439 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 439 [label=0.000]
	440 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 440 [label=0.000]
	441 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 441 [label=0.000]
	442 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 442 [label=0.000]
	443 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 443 [label=0.000]
	444 [color=lightblue shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 444 [label=0.000]
	445 [color=aquamarine shape=rarrow style=filled]
	"170 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" -> 445 [label=0.000]
	"681 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	368 -> "681 | O=C1CCC(=O)N1Cl" [label=""]
	"682 | Brc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	368 -> "682 | Brc1ncc2sccc2n1" [label=""]
	"683 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	369 -> "683 | Clc1ncnc2ccsc12" [label=""]
	"684 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	369 -> "684 | O=C1CCC(=O)N1Br" [label=""]
	"685 | Clc1nc(Br)ncc1Br" [color=lightyellow shape=box style=filled]
	370 -> "685 | Clc1nc(Br)ncc1Br" [label=""]
	"686 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	370 -> "686 | O=C1CCC(=O)N1Br" [label=""]
	"687 | O=CC(=O)S" [color=lightgrey shape=box style=filled]
	370 -> "687 | O=CC(=O)S" [label=""]
	"688 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	371 -> "688 | O=C1CCC(=O)N1Cl" [label=""]
	"689 | Brc1ncc2sccc2n1" [color=lightyellow shape=box style=filled]
	371 -> "689 | Brc1ncc2sccc2n1" [label=""]
	"690 | Clc1ncnc2ccsc12" [color=lightyellow shape=box style=filled]
	372 -> "690 | Clc1ncnc2ccsc12" [label=""]
	"691 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	372 -> "691 | O=C1CCC(=O)N1Br" [label=""]
	"692 | Clc1nc(Br)ncc1Br" [color=lightyellow shape=box style=filled]
	373 -> "692 | Clc1nc(Br)ncc1Br" [label=""]
	"693 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	373 -> "693 | O=C1CCC(=O)N1Br" [label=""]
	"694 | O=CC(=O)S" [color=lightgrey shape=box style=filled]
	373 -> "694 | O=CC(=O)S" [label=""]
	"695 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	374 -> "695 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"696 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	374 -> "696 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"697 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	375 -> "697 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [label=""]
	"698 | N[C@@H](CCCCCC=O)C(=O)O" [color=lightgrey shape=box style=filled]
	375 -> "698 | N[C@@H](CCCCCC=O)C(=O)O" [label=""]
	"699 | CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [color=lightyellow shape=box style=filled]
	376 -> "699 | CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"700 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	376 -> "700 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [label=""]
	"701 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	377 -> "701 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [label=""]
	"702 | CCOP(=O)(CCCCCC[C@H](N)C(=O)O)OCC" [color=lightgrey shape=box style=filled]
	377 -> "702 | CCOP(=O)(CCCCCC[C@H](N)C(=O)O)OCC" [label=""]
	"703 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	378 -> "703 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C" [label=""]
	"704 | CCCCCC[C@H](N)C(=O)O" [color=lightyellow shape=box style=filled]
	378 -> "704 | CCCCCC[C@H](N)C(=O)O" [label=""]
	"705 | N[C@@H](CCCCCCBr)C(=O)O" [color=lightgrey shape=box style=filled]
	379 -> "705 | N[C@@H](CCCCCCBr)C(=O)O" [label=""]
	"706 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	379 -> "706 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C" [label=""]
	"707 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	380 -> "707 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=O" [label=""]
	"708 | N[C@@H](CCCCCC=O)C(=O)O" [color=lightgrey shape=box style=filled]
	380 -> "708 | N[C@@H](CCCCCC=O)C(=O)O" [label=""]
	"709 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	381 -> "709 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C" [label=""]
	"710 | N[C@@H](CCCCCC=O)C(=O)O" [color=lightgrey shape=box style=filled]
	381 -> "710 | N[C@@H](CCCCCC=O)C(=O)O" [label=""]
	"711 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C" [color=lightgrey shape=box style=filled]
	382 -> "711 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C" [label=""]
	"712 | N[C@@H](CCCCCCO)C(=O)O" [color=lightyellow shape=box style=filled]
	382 -> "712 | N[C@@H](CCCCCCO)C(=O)O" [label=""]
	"713 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	383 -> "713 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=O" [label=""]
	"714 | CCCCCC[C@H](N)C(=O)O" [color=lightyellow shape=box style=filled]
	383 -> "714 | CCCCCC[C@H](N)C(=O)O" [label=""]
	"715 | C=CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	384 -> "715 | C=CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [label=""]
	"716 | COC(=O)C1(N)CC1" [color=lightyellow shape=box style=filled]
	384 -> "716 | COC(=O)C1(N)CC1" [label=""]
	"717 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	385 -> "717 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [label=""]
	"718 | COC(=O)[C@@]1(N)C[C@H]1C" [color=lightgrey shape=box style=filled]
	386 -> "718 | COC(=O)[C@@]1(N)C[C@H]1C" [label=""]
	"719 | N[C@H](C=O)CCCCCC=O" [color=lightgrey shape=box style=filled]
	386 -> "719 | N[C@H](C=O)CCCCCC=O" [label=""]
	"720 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	387 -> "720 | CN(C)C=O" [label=""]
	"721 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	387 -> "721 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [label=""]
	"722 | C=CCCCCC[C@H](N)C=O" [color=lightgrey shape=box style=filled]
	388 -> "722 | C=CCCCCC[C@H](N)C=O" [label=""]
	"723 | COC(=O)C1(N)CC1" [color=lightyellow shape=box style=filled]
	388 -> "723 | COC(=O)C1(N)CC1" [label=""]
	"724 | N[C@H](C=O)CCCCCC=CBr" [color=lightgrey shape=box style=filled]
	389 -> "724 | N[C@H](C=O)CCCCCC=CBr" [label=""]
	"725 | COC(=O)C1(N)CC1" [color=lightyellow shape=box style=filled]
	389 -> "725 | COC(=O)C1(N)CC1" [label=""]
	"726 | CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	390 -> "726 | CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [label=""]
	"727 | COC(=O)[C@@]1(N)C[C@H]1C" [color=lightgrey shape=box style=filled]
	390 -> "727 | COC(=O)[C@@]1(N)C[C@H]1C" [label=""]
	"728 | COC(=O)[C@@H](N)CCC=CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	391 -> "728 | COC(=O)[C@@H](N)CCC=CCCCCC[C@@H](C=O)NC(=O)OCc1ccccc1" [label=""]
	"729 | CCCCCC[C@H](N)C=O" [color=lightgrey shape=box style=filled]
	392 -> "729 | CCCCCC[C@H](N)C=O" [label=""]
	"730 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	392 -> "730 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"731 | [O]Cc1ccccc1" [color=lightgrey shape=box style=filled]
	393 -> "731 | [O]Cc1ccccc1" [label=""]
	"732 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)N[C]=O" [color=lightgrey shape=box style=filled]
	393 -> "732 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)N[C]=O" [label=""]
	"733 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	394 -> "733 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"734 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)CN1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	395 -> "734 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)CN1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"735 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)CNC[C@H](O)CCC(=O)N2" [color=lightgrey shape=box style=filled]
	396 -> "735 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)CNC[C@H](O)CCC(=O)N2" [label=""]
	"736 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN(CC=O)[C@@H](C)C(=O)N2" [color=lightgrey shape=box style=filled]
	397 -> "736 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN(CC=O)[C@@H](C)C(=O)N2" [label=""]
	"737 | COC(=O)[C@@]1(O)C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(N)=O" [color=lightgrey shape=box style=filled]
	398 -> "737 | COC(=O)[C@@]1(O)C[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(N)=O" [label=""]
	"738 | COC(=O)[C@H]1C[C@H]1C=CCCCCC[C@@H](CN1C[C@H](O)C[C@H]1C(N)=O)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	399 -> "738 | COC(=O)[C@H]1C[C@H]1C=CCCCCC[C@@H](CN1C[C@H](O)C[C@H]1C(N)=O)NC(=O)OC(C)(C)C" [label=""]
	"739 | COC(=O)[C@H]1C(Br)[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(N)=O" [color=lightgrey shape=box style=filled]
	400 -> "739 | COC(=O)[C@H]1C(Br)[C@H]1C=CCCCCC[C@H](N)CN1C[C@H](O)C[C@H]1C(N)=O" [label=""]
	"740 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN(CC(=O)O)[C@@H](C)C(=O)N2" [color=lightgrey shape=box style=filled]
	401 -> "740 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N)CN(CC(=O)O)[C@@H](C)C(=O)N2" [label=""]
	"741 | COC(=O)[C@H]1C[C@H]1C=CCCCCC[C@H](N)CN1CC(=O)C[C@H]1C(N)=O" [color=lightgrey shape=box style=filled]
	402 -> "741 | COC(=O)[C@H]1C[C@H]1C=CCCCCC[C@H](N)CN1CC(=O)C[C@H]1C(N)=O" [label=""]
	"742 | [O]Cc1ccccc1" [color=lightgrey shape=box style=filled]
	403 -> "742 | [O]Cc1ccccc1" [label=""]
	"743 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N[C]=O)CN1C[C@H](O)C[C@H]1C(=O)N2" [color=lightgrey shape=box style=filled]
	403 -> "743 | COC(=O)[C@@]12C[C@H]1C=CCCCCC[C@H](N[C]=O)CN1C[C@H](O)C[C@H]1C(=O)N2" [label=""]
	"744 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [color=lightgrey shape=box style=filled]
	404 -> "744 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)O" [label=""]
	"745 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	404 -> "745 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"746 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [color=lightgrey shape=box style=filled]
	405 -> "746 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N)C(=O)Cl" [label=""]
	"747 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	405 -> "747 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"748 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	406 -> "748 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Cl" [label=""]
	"749 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	406 -> "749 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"750 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	407 -> "750 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"751 | [O]Cc1ccccc1" [color=lightgrey shape=box style=filled]
	407 -> "751 | [O]Cc1ccccc1" [label=""]
	"752 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N[C]=O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	407 -> "752 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N[C]=O)C(=O)Cl" [label=""]
	"753 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)Cl)C(=O)Cl" [color=lightgrey shape=box style=filled]
	408 -> "753 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)Cl)C(=O)Cl" [label=""]
	"754 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	408 -> "754 | OCc1ccccc1" [label=""]
	"755 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	408 -> "755 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"756 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	409 -> "756 | OCc1ccccc1" [label=""]
	"757 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N=C=O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	409 -> "757 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](N=C=O)C(=O)Cl" [label=""]
	"758 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	409 -> "758 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"759 | OC(Br)c1ccccc1" [color=lightgrey shape=box style=filled]
	410 -> "759 | OC(Br)c1ccccc1" [label=""]
	"760 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC=O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	410 -> "760 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC=O)C(=O)Cl" [label=""]
	"761 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	410 -> "761 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"762 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	411 -> "762 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)O)C(=O)Cl" [label=""]
	"763 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	411 -> "763 | OCc1ccccc1" [label=""]
	"764 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	411 -> "764 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"765 | OC(Br)c1ccccc1" [color=lightgrey shape=box style=filled]
	412 -> "765 | OC(Br)c1ccccc1" [label=""]
	"766 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	412 -> "766 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC(=O)O)C(=O)Cl" [label=""]
	"767 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	412 -> "767 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"768 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	413 -> "768 | OCc1ccccc1" [label=""]
	"769 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	413 -> "769 | O=C1CCC(=O)N1Br" [label=""]
	"770 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC=O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	413 -> "770 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@H](NC=O)C(=O)Cl" [label=""]
	"771 | O=C[C@@H]1C[C@@H](O)CN1" [color=lightgrey shape=box style=filled]
	413 -> "771 | O=C[C@@H]1C[C@@H](O)CN1" [label=""]
	"772 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	414 -> "772 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCC[C@@H](C=O)NC(=O)OC(C)(C)C" [label=""]
	"773 | O=C(O)[C@@H]1C[C@@H](O)CN1" [color=lightyellow shape=box style=filled]
	414 -> "773 | O=C(O)[C@@H]1C[C@@H](O)CN1" [label=""]
	"774 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	415 -> "774 | CN(C)C=O" [label=""]
	"775 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	415 -> "775 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"776 | O=CO" [color=lightyellow shape=box style=filled]
	416 -> "776 | O=CO" [label=""]
	"777 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	416 -> "777 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"778 | O=CCl" [color=lightgrey shape=box style=filled]
	417 -> "778 | O=CCl" [label=""]
	"779 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	417 -> "779 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"780 | C=O" [color=lightyellow shape=box style=filled]
	418 -> "780 | C=O" [label=""]
	"781 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	418 -> "781 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"782 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	419 -> "782 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"783 | C=O" [color=lightyellow shape=box style=filled]
	419 -> "783 | C=O" [label=""]
	"784 | O=CO" [color=lightyellow shape=box style=filled]
	420 -> "784 | O=CO" [label=""]
	"785 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	420 -> "785 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"786 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	421 -> "786 | CN(C)C=O" [label=""]
	"787 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	421 -> "787 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"788 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	422 -> "788 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"789 | O=CO" [color=lightyellow shape=box style=filled]
	422 -> "789 | O=CO" [label=""]
	"790 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	423 -> "790 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCCNC(=O)OC(C)(C)C" [label=""]
	"791 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	423 -> "791 | CN(C)C=O" [label=""]
	"792 | O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	424 -> "792 | O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)Cl" [label=""]
	"793 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	424 -> "793 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCCN" [label=""]
	"794 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	425 -> "794 | O=C(Cl)Cl" [label=""]
	"795 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCN" [color=lightgrey shape=box style=filled]
	425 -> "795 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCCN" [label=""]
	"796 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	426 -> "796 | COC(=O)[C@@]1(N)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"797 | O=CN1C[C@H](O)C[C@H]1C(=O)O" [color=lightyellow shape=box style=filled]
	426 -> "797 | O=CN1C[C@H](O)C[C@H]1C(=O)O" [label=""]
	"798 | O=CO" [color=lightyellow shape=box style=filled]
	427 -> "798 | O=CO" [label=""]
	"799 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	427 -> "799 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"800 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	428 -> "800 | CN(C)C=O" [label=""]
	"801 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	428 -> "801 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"802 | C=O" [color=lightyellow shape=box style=filled]
	429 -> "802 | C=O" [label=""]
	"803 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	429 -> "803 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"804 | NC(=O)CCCCCC=O" [color=lightgrey shape=box style=filled]
	430 -> "804 | NC(=O)CCCCCC=O" [label=""]
	"805 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C" [color=lightgrey shape=box style=filled]
	430 -> "805 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2C=O)C[C@H]1C" [label=""]
	"806 | CO" [color=lightyellow shape=box style=filled]
	431 -> "806 | CO" [label=""]
	"807 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	431 -> "807 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"808 | O=CO" [color=lightyellow shape=box style=filled]
	432 -> "808 | O=CO" [label=""]
	"809 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	432 -> "809 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"810 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	433 -> "810 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"811 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	433 -> "811 | COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H](O)CN2)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"812 | CCCCCCC(N)=O" [color=lightyellow shape=box style=filled]
	434 -> "812 | CCCCCCC(N)=O" [label=""]
	"813 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C=O)C[C@H]1C" [color=lightgrey shape=box style=filled]
	434 -> "813 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2C=O)C[C@H]1C" [label=""]
	"814 | O=CO" [color=lightyellow shape=box style=filled]
	435 -> "814 | O=CO" [label=""]
	"815 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCC(N)=O" [color=lightgrey shape=box style=filled]
	435 -> "815 | COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)CN2)C[C@H]1C=CCCCCCC(N)=O" [label=""]
	"816 | COC(=O)[C@@]1(N)C[C@H]1C" [color=lightgrey shape=box style=filled]
	436 -> "816 | COC(=O)[C@@]1(N)C[C@H]1C" [label=""]
	"817 | NCCCCCCC=O" [color=lightgrey shape=box style=filled]
	436 -> "817 | NCCCCCCC=O" [label=""]
	"818 | NCCCCCCC=CBr" [color=lightgrey shape=box style=filled]
	437 -> "818 | NCCCCCCC=CBr" [label=""]
	"819 | COC(=O)C1(N)CC1" [color=lightyellow shape=box style=filled]
	437 -> "819 | COC(=O)C1(N)CC1" [label=""]
	"820 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	438 -> "820 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"821 | NCCCCCCC=O" [color=lightgrey shape=box style=filled]
	438 -> "821 | NCCCCCCC=O" [label=""]
	"822 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	439 -> "822 | COC(=O)[C@@]1(NO)C[C@H]1C=O" [label=""]
	"823 | CCCCCCCN" [color=lightyellow shape=box style=filled]
	439 -> "823 | CCCCCCCN" [label=""]
	"824 | CCCCCCCN" [color=lightyellow shape=box style=filled]
	440 -> "824 | CCCCCCCN" [label=""]
	"825 | COC(=O)[C@@]1(NO)C[C@H]1C" [color=lightgrey shape=box style=filled]
	440 -> "825 | COC(=O)[C@@]1(NO)C[C@H]1C" [label=""]
	"826 | COC(=O)[C@@]1(N)C[C@H]1C=O" [color=lightgrey shape=box style=filled]
	441 -> "826 | COC(=O)[C@@]1(N)C[C@H]1C=O" [label=""]
	"827 | NCCCCCCC=O" [color=lightgrey shape=box style=filled]
	441 -> "827 | NCCCCCCC=O" [label=""]
	"828 | CCCCCCCN" [color=lightyellow shape=box style=filled]
	442 -> "828 | CCCCCCCN" [label=""]
	"829 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [color=lightgrey shape=box style=filled]
	442 -> "829 | COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C" [label=""]
	"830 | NCCCCCCC=CCl" [color=lightgrey shape=box style=filled]
	443 -> "830 | NCCCCCCC=CCl" [label=""]
	"831 | COC(=O)C1(N)CC1" [color=lightyellow shape=box style=filled]
	443 -> "831 | COC(=O)C1(N)CC1" [label=""]
	"832 | C=CCCCCCCN" [color=lightyellow shape=box style=filled]
	444 -> "832 | C=CCCCCCCN" [label=""]
	"833 | COC(=O)C1(N)CC1" [color=lightyellow shape=box style=filled]
	444 -> "833 | COC(=O)C1(N)CC1" [label=""]
	"834 | COC(=O)[C@@]1(N)C[C@H]1CO" [color=lightgrey shape=box style=filled]
	445 -> "834 | COC(=O)[C@@]1(N)C[C@H]1CO" [label=""]
	"835 | NCCCCCCC=O" [color=lightgrey shape=box style=filled]
	445 -> "835 | NCCCCCCC=O" [label=""]
}
