digraph G {
	rankdir=LR
	node [shape=box]
	"1 | COCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | COCC1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)O" -> 1 [label=0.000]
	"2 | O=C(O)Cc1cccs1" [color=lightyellow shape=box style=filled]
	1 -> "2 | O=C(O)Cc1cccs1" [label=""]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" [color=lightblue shape=box style=filled]
	1 -> "3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" [label=""]
	2 [color=lightblue shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 10 [label=0.000]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | COCC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 11 [label=0.000]
	"4 | COCBr" [color=lightyellow shape=box style=filled]
	2 -> "4 | COCBr" [label=""]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [color=lightblue shape=box style=filled]
	2 -> "5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [label=""]
	"6 | CO" [color=lightyellow shape=box style=filled]
	3 -> "6 | CO" [label=""]
	"7 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	3 -> "7 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" [label=""]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	4 -> "8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [label=""]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" [color=aquamarine shape=box style=filled]
	5 -> "9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"10 | O=C=O" [color=lightyellow shape=box style=filled]
	5 -> "10 | O=C=O" [label=""]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" [color=aquamarine shape=box style=filled]
	6 -> "11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" [label=""]
	"12 | COCC1=CS[C@H](CN)N(C(=O)Cl)C1C(=O)O" [color=aquamarine shape=box style=filled]
	7 -> "12 | COCC1=CS[C@H](CN)N(C(=O)Cl)C1C(=O)O" [label=""]
	"13 | COC" [color=lightyellow shape=box style=filled]
	8 -> "13 | COC" [label=""]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	8 -> "14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" [label=""]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" [color=aquamarine shape=box style=filled]
	9 -> "15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" [label=""]
	"16 | COCCl" [color=lightblue shape=box style=filled]
	10 -> "16 | COCCl" [label=""]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [color=aquamarine shape=box style=filled]
	10 -> "17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [label=""]
	"18 | O=CO" [color=lightyellow shape=box style=filled]
	11 -> "18 | O=CO" [label=""]
	"19 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	11 -> "19 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" [label=""]
	12 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 13 [label=0.000]
	14 [color=lightblue shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"7 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"7 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"7 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"7 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"7 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"8 | COCC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"9 | COCC1=CS[C@@H]2C(N)C(=O)N2C1" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"11 | COCC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"12 | COCC1=CS[C@H](CN)N(C(=O)Cl)C1C(=O)O" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"14 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"15 | COCC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" -> 77 [label=0.000]
	78 [color=lightblue shape=rarrow style=filled]
	"16 | COCCl" -> 78 [label=0.000]
	79 [color=lightblue shape=rarrow style=filled]
	"16 | COCCl" -> 79 [label=0.000]
	80 [color=lightblue shape=rarrow style=filled]
	"16 | COCCl" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"17 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"19 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"19 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"19 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"19 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"19 | NC1C(=O)N2C(C(=O)O)C(CBr)=CS[C@H]12" -> 95 [label=0.000]
	"20 | NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	12 -> "20 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"21 | O=C=O" [color=lightyellow shape=box style=filled]
	12 -> "21 | O=C=O" [label=""]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	13 -> "22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightblue shape=box style=filled]
	14 -> "23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"24 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	14 -> "24 | CC(C)(C)OC(N)=O" [label=""]
	"25 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [color=aquamarine shape=box style=filled]
	15 -> "25 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [label=""]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=aquamarine shape=box style=filled]
	16 -> "26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [color=aquamarine shape=box style=filled]
	17 -> "27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [label=""]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [color=aquamarine shape=box style=filled]
	18 -> "28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"29 | N" [color=lightyellow shape=box style=filled]
	18 -> "29 | N" [label=""]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=aquamarine shape=box style=filled]
	19 -> "30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"31 | O=CO" [color=lightyellow shape=box style=filled]
	20 -> "31 | O=CO" [label=""]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	20 -> "32 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	21 -> "33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" [color=aquamarine shape=box style=filled]
	22 -> "34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" [label=""]
	"35 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	22 -> "35 | O=C1CCC(=O)N1Br" [label=""]
	"36 | BrCBr" [color=lightyellow shape=box style=filled]
	23 -> "36 | BrCBr" [label=""]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [color=aquamarine shape=box style=filled]
	23 -> "37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [label=""]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=aquamarine shape=box style=filled]
	24 -> "38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=aquamarine shape=box style=filled]
	25 -> "39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"40 | CBr" [color=lightyellow shape=box style=filled]
	26 -> "40 | CBr" [label=""]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	26 -> "41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" [label=""]
	"42 | COCC1=CSCNC1C(=O)O" [color=aquamarine shape=box style=filled]
	27 -> "42 | COCC1=CSCNC1C(=O)O" [label=""]
	"43 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	27 -> "43 | NC(=O)C(=O)O" [label=""]
	"44 | COCBr" [color=lightyellow shape=box style=filled]
	28 -> "44 | COCBr" [label=""]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	28 -> "45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"46 | CO" [color=lightyellow shape=box style=filled]
	29 -> "46 | CO" [label=""]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=aquamarine shape=box style=filled]
	29 -> "47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" [color=aquamarine shape=box style=filled]
	30 -> "48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" [label=""]
	"49 | O=C=O" [color=lightyellow shape=box style=filled]
	30 -> "49 | O=C=O" [label=""]
	"50 | N=CC(=O)O" [color=lightblue shape=box style=filled]
	31 -> "50 | N=CC(=O)O" [label=""]
	"51 | COCC1=CSCNC1C(=O)O" [color=aquamarine shape=box style=filled]
	31 -> "51 | COCC1=CSCNC1C(=O)O" [label=""]
	"52 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	32 -> "52 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"53 | COCC1=CSCNC1C(=O)O" [color=aquamarine shape=box style=filled]
	32 -> "53 | COCC1=CSCNC1C(=O)O" [label=""]
	"54 | CO" [color=lightyellow shape=box style=filled]
	33 -> "54 | CO" [label=""]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	33 -> "55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" [label=""]
	"56 | COCC1=CSCNC1C(=O)O" [color=aquamarine shape=box style=filled]
	34 -> "56 | COCC1=CSCNC1C(=O)O" [label=""]
	"57 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	34 -> "57 | NCC(=O)O" [label=""]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=aquamarine shape=box style=filled]
	35 -> "58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"59 | CO" [color=lightyellow shape=box style=filled]
	35 -> "59 | CO" [label=""]
	"60 | COCC1=CSCNC1C(=O)O" [color=aquamarine shape=box style=filled]
	36 -> "60 | COCC1=CSCNC1C(=O)O" [label=""]
	"61 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	36 -> "61 | NC(=O)C(=O)O" [label=""]
	"62 | CO" [color=lightyellow shape=box style=filled]
	37 -> "62 | CO" [label=""]
	"63 | NC1C(=O)N2CC(CBr)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	37 -> "63 | NC1C(=O)N2CC(CBr)=CS[C@H]12" [label=""]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" [color=aquamarine shape=box style=filled]
	38 -> "64 | COCC1=CS[C@@H]2CC(=O)N2C1" [label=""]
	"65 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	38 -> "65 | CC(C)(C)OC(N)=O" [label=""]
	"66 | COCBr" [color=lightyellow shape=box style=filled]
	39 -> "66 | COCBr" [label=""]
	"67 | NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	39 -> "67 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"68 | CO" [color=lightyellow shape=box style=filled]
	40 -> "68 | CO" [label=""]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	40 -> "69 | NC1C(=O)N2CC(CO)=CS[C@H]12" [label=""]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" [color=aquamarine shape=box style=filled]
	41 -> "70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" [label=""]
	"71 | NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	42 -> "71 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"72 | COCCl" [color=lightblue shape=box style=filled]
	42 -> "72 | COCCl" [label=""]
	"73 | COC" [color=lightyellow shape=box style=filled]
	43 -> "73 | COC" [label=""]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	43 -> "74 | NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"75 | CO" [color=lightyellow shape=box style=filled]
	44 -> "75 | CO" [label=""]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	44 -> "76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" [label=""]
	"77 | CO" [color=lightyellow shape=box style=filled]
	45 -> "77 | CO" [label=""]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	45 -> "78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" [label=""]
	"79 | NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	46 -> "79 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"80 | CO" [color=lightyellow shape=box style=filled]
	46 -> "80 | CO" [label=""]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	47 -> "81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"82 | O=CO" [color=lightyellow shape=box style=filled]
	47 -> "82 | O=CO" [label=""]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	48 -> "83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"84 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	48 -> "84 | CN(C)C=O" [label=""]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	49 -> "85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"86 | O=CCl" [color=lightblue shape=box style=filled]
	49 -> "86 | O=CCl" [label=""]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	50 -> "87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"88 | CO" [color=lightyellow shape=box style=filled]
	50 -> "88 | CO" [label=""]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	51 -> "89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"90 | O=COC(=O)c1cccc(Cl)c1" [color=lightblue shape=box style=filled]
	51 -> "90 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"91 | N" [color=lightyellow shape=box style=filled]
	52 -> "91 | N" [label=""]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" [color=aquamarine shape=box style=filled]
	52 -> "92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" [label=""]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	53 -> "93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"94 | O=CO" [color=lightyellow shape=box style=filled]
	53 -> "94 | O=CO" [label=""]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=aquamarine shape=box style=filled]
	54 -> "95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"96 | COCBr" [color=lightyellow shape=box style=filled]
	54 -> "96 | COCBr" [label=""]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	55 -> "97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"98 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	55 -> "98 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	56 -> "99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" [label=""]
	"100 | O=CO" [color=lightyellow shape=box style=filled]
	56 -> "100 | O=CO" [label=""]
	"101 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	56 -> "101 | O=C(O)c1cccc(Cl)c1" [label=""]
	"102 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	57 -> "102 | O=C(Cl)Cl" [label=""]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	57 -> "103 | COCC1=CS[C@H](CN)NC1C(=O)O" [label=""]
	"104 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	58 -> "104 | O=C1CCC(=O)N1Br" [label=""]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [color=aquamarine shape=box style=filled]
	58 -> "105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [label=""]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	59 -> "106 | NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"107 | O=C=O" [color=lightyellow shape=box style=filled]
	59 -> "107 | O=C=O" [label=""]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=aquamarine shape=box style=filled]
	60 -> "108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"109 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [color=aquamarine shape=box style=filled]
	61 -> "109 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [label=""]
	"110 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	61 -> "110 | CC(C)(C)OC(N)=O" [label=""]
	"111 | N" [color=lightyellow shape=box style=filled]
	62 -> "111 | N" [label=""]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" [color=aquamarine shape=box style=filled]
	62 -> "112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=aquamarine shape=box style=filled]
	63 -> "113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=aquamarine shape=box style=filled]
	64 -> "114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=aquamarine shape=box style=filled]
	65 -> "115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"116 | N" [color=lightyellow shape=box style=filled]
	66 -> "116 | N" [label=""]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" [color=aquamarine shape=box style=filled]
	66 -> "117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" [label=""]
	"118 | N" [color=lightyellow shape=box style=filled]
	67 -> "118 | N" [label=""]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" [color=aquamarine shape=box style=filled]
	67 -> "119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" [label=""]
	"120 | O=C=O" [color=lightyellow shape=box style=filled]
	68 -> "120 | O=C=O" [label=""]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	68 -> "121 | COCC1=CS[C@H](CN)NC1C(=O)O" [label=""]
	"122 | COCBr" [color=lightyellow shape=box style=filled]
	69 -> "122 | COCBr" [label=""]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=aquamarine shape=box style=filled]
	69 -> "123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"124 | NC=O" [color=lightyellow shape=box style=filled]
	70 -> "124 | NC=O" [label=""]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" [color=aquamarine shape=box style=filled]
	70 -> "125 | COCC1=CSCN(C(=O)O)C1C(=O)O" [label=""]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" [color=aquamarine shape=box style=filled]
	71 -> "126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" [label=""]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" [color=aquamarine shape=box style=filled]
	72 -> "127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" [color=aquamarine shape=box style=filled]
	73 -> "128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" [label=""]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" [color=aquamarine shape=box style=filled]
	74 -> "129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" [label=""]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [color=aquamarine shape=box style=filled]
	75 -> "130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [label=""]
	"131 | O=C=O" [color=lightyellow shape=box style=filled]
	75 -> "131 | O=C=O" [label=""]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" [color=aquamarine shape=box style=filled]
	76 -> "132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" [label=""]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" [color=aquamarine shape=box style=filled]
	77 -> "133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" [label=""]
	"134 | COC" [color=lightyellow shape=box style=filled]
	78 -> "134 | COC" [label=""]
	"135 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	78 -> "135 | ClC(Cl)(Cl)Cl" [label=""]
	"136 | COC" [color=lightyellow shape=box style=filled]
	79 -> "136 | COC" [label=""]
	"137 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	79 -> "137 | O=C1CCC(=O)N1Cl" [label=""]
	"138 | COCBr" [color=lightyellow shape=box style=filled]
	80 -> "138 | COCBr" [label=""]
	"139 | Cl" [color=lightyellow shape=box style=filled]
	80 -> "139 | Cl" [label=""]
	"140 | NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	81 -> "140 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"141 | O=C=O" [color=lightyellow shape=box style=filled]
	81 -> "141 | O=C=O" [label=""]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	82 -> "142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=aquamarine shape=box style=filled]
	83 -> "143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"144 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	83 -> "144 | CC(C)(C)OC(N)=O" [label=""]
	"145 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [color=aquamarine shape=box style=filled]
	84 -> "145 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [label=""]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=aquamarine shape=box style=filled]
	85 -> "146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [color=aquamarine shape=box style=filled]
	86 -> "147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [label=""]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [color=aquamarine shape=box style=filled]
	87 -> "148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"149 | N" [color=lightyellow shape=box style=filled]
	87 -> "149 | N" [label=""]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=aquamarine shape=box style=filled]
	88 -> "150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"151 | O=CO" [color=lightyellow shape=box style=filled]
	89 -> "151 | O=CO" [label=""]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	89 -> "152 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	90 -> "153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" [color=aquamarine shape=box style=filled]
	91 -> "154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" [label=""]
	"155 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	91 -> "155 | O=C1CCC(=O)N1Br" [label=""]
	"156 | BrCBr" [color=lightyellow shape=box style=filled]
	92 -> "156 | BrCBr" [label=""]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [color=aquamarine shape=box style=filled]
	92 -> "157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [label=""]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=aquamarine shape=box style=filled]
	93 -> "158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=aquamarine shape=box style=filled]
	94 -> "159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"160 | CBr" [color=lightyellow shape=box style=filled]
	95 -> "160 | CBr" [label=""]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" [color=aquamarine shape=box style=filled]
	95 -> "161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" [label=""]
	96 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"20 | NC1C(=O)N2CC=CS[C@H]12" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 108 [label=0.000]
	109 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 109 [label=0.000]
	110 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 110 [label=0.000]
	111 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 113 [label=0.000]
	114 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"22 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 116 [label=0.000]
	117 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 120 [label=0.000]
	121 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 122 [label=0.000]
	123 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 123 [label=0.000]
	124 [color=lightblue shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"25 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 129 [label=0.000]
	130 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 130 [label=0.000]
	131 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 131 [label=0.000]
	132 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 132 [label=0.000]
	133 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 133 [label=0.000]
	134 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 134 [label=0.000]
	135 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 135 [label=0.000]
	136 [color=aquamarine shape=rarrow style=filled]
	"26 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 136 [label=0.000]
	137 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 137 [label=0.000]
	138 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 138 [label=0.000]
	139 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 139 [label=0.000]
	140 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 140 [label=0.000]
	141 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 141 [label=0.000]
	142 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 142 [label=0.000]
	143 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 143 [label=0.000]
	144 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 144 [label=0.000]
	145 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 145 [label=0.000]
	146 [color=aquamarine shape=rarrow style=filled]
	"27 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 146 [label=0.000]
	147 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 147 [label=0.000]
	148 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 148 [label=0.000]
	149 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 149 [label=0.000]
	150 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 150 [label=0.000]
	151 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 151 [label=0.000]
	152 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 152 [label=0.000]
	153 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 153 [label=0.000]
	154 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 154 [label=0.000]
	155 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 155 [label=0.000]
	156 [color=aquamarine shape=rarrow style=filled]
	"28 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 156 [label=0.000]
	157 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 157 [label=0.000]
	158 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 158 [label=0.000]
	159 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 159 [label=0.000]
	160 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 160 [label=0.000]
	161 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 161 [label=0.000]
	162 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 162 [label=0.000]
	163 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 163 [label=0.000]
	164 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 164 [label=0.000]
	165 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 165 [label=0.000]
	166 [color=aquamarine shape=rarrow style=filled]
	"30 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 166 [label=0.000]
	167 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 167 [label=0.000]
	168 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 168 [label=0.000]
	169 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 169 [label=0.000]
	170 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 170 [label=0.000]
	171 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 171 [label=0.000]
	172 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 172 [label=0.000]
	173 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 173 [label=0.000]
	174 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 174 [label=0.000]
	175 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 175 [label=0.000]
	176 [color=aquamarine shape=rarrow style=filled]
	"32 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 176 [label=0.000]
	177 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 177 [label=0.000]
	178 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 178 [label=0.000]
	179 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 179 [label=0.000]
	180 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 180 [label=0.000]
	181 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 181 [label=0.000]
	182 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 182 [label=0.000]
	183 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 183 [label=0.000]
	184 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 184 [label=0.000]
	185 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 185 [label=0.000]
	186 [color=aquamarine shape=rarrow style=filled]
	"33 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 186 [label=0.000]
	187 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 187 [label=0.000]
	188 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 188 [label=0.000]
	189 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 189 [label=0.000]
	190 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 190 [label=0.000]
	191 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 191 [label=0.000]
	192 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 192 [label=0.000]
	193 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 193 [label=0.000]
	194 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 194 [label=0.000]
	195 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 195 [label=0.000]
	196 [color=aquamarine shape=rarrow style=filled]
	"34 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 196 [label=0.000]
	197 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 197 [label=0.000]
	198 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 198 [label=0.000]
	199 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 199 [label=0.000]
	200 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 200 [label=0.000]
	201 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 201 [label=0.000]
	202 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 202 [label=0.000]
	203 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 203 [label=0.000]
	204 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 204 [label=0.000]
	205 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 205 [label=0.000]
	206 [color=aquamarine shape=rarrow style=filled]
	"37 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 206 [label=0.000]
	207 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 207 [label=0.000]
	208 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 208 [label=0.000]
	209 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 209 [label=0.000]
	210 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 210 [label=0.000]
	211 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 211 [label=0.000]
	212 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 212 [label=0.000]
	213 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 213 [label=0.000]
	214 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 214 [label=0.000]
	215 [color=aquamarine shape=rarrow style=filled]
	"38 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 215 [label=0.000]
	216 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 216 [label=0.000]
	217 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 217 [label=0.000]
	218 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 218 [label=0.000]
	219 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 219 [label=0.000]
	220 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 220 [label=0.000]
	221 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 221 [label=0.000]
	222 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 222 [label=0.000]
	223 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 223 [label=0.000]
	224 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 224 [label=0.000]
	225 [color=aquamarine shape=rarrow style=filled]
	"39 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 225 [label=0.000]
	226 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 226 [label=0.000]
	227 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 227 [label=0.000]
	228 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 228 [label=0.000]
	229 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 229 [label=0.000]
	230 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 230 [label=0.000]
	231 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 231 [label=0.000]
	232 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 232 [label=0.000]
	233 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 233 [label=0.000]
	234 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 234 [label=0.000]
	235 [color=aquamarine shape=rarrow style=filled]
	"41 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 235 [label=0.000]
	236 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 236 [label=0.000]
	237 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 237 [label=0.000]
	238 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 238 [label=0.000]
	239 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 239 [label=0.000]
	240 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 240 [label=0.000]
	241 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 241 [label=0.000]
	242 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 242 [label=0.000]
	243 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 243 [label=0.000]
	244 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 244 [label=0.000]
	245 [color=aquamarine shape=rarrow style=filled]
	"42 | COCC1=CSCNC1C(=O)O" -> 245 [label=0.000]
	246 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 246 [label=0.000]
	247 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 247 [label=0.000]
	248 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 248 [label=0.000]
	249 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 249 [label=0.000]
	250 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 250 [label=0.000]
	251 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 251 [label=0.000]
	252 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 252 [label=0.000]
	253 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 253 [label=0.000]
	254 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 254 [label=0.000]
	255 [color=aquamarine shape=rarrow style=filled]
	"45 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 255 [label=0.000]
	256 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 256 [label=0.000]
	257 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 257 [label=0.000]
	258 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 258 [label=0.000]
	259 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 259 [label=0.000]
	260 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 260 [label=0.000]
	261 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 261 [label=0.000]
	262 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 262 [label=0.000]
	263 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 263 [label=0.000]
	264 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 264 [label=0.000]
	265 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 265 [label=0.000]
	266 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 266 [label=0.000]
	267 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 267 [label=0.000]
	268 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 268 [label=0.000]
	269 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 269 [label=0.000]
	270 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 270 [label=0.000]
	271 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 271 [label=0.000]
	272 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 272 [label=0.000]
	273 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 273 [label=0.000]
	274 [color=aquamarine shape=rarrow style=filled]
	"48 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 274 [label=0.000]
	275 [color=lightblue shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 275 [label=0.000]
	276 [color=lightblue shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 276 [label=0.000]
	277 [color=aquamarine shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 277 [label=0.000]
	278 [color=aquamarine shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 278 [label=0.000]
	279 [color=lightblue shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 279 [label=0.000]
	280 [color=aquamarine shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 280 [label=0.000]
	281 [color=aquamarine shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 281 [label=0.000]
	282 [color=aquamarine shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 282 [label=0.000]
	283 [color=lightblue shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 283 [label=0.000]
	284 [color=lightblue shape=rarrow style=filled]
	"50 | N=CC(=O)O" -> 284 [label=0.000]
	285 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 285 [label=0.000]
	286 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 286 [label=0.000]
	287 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 287 [label=0.000]
	288 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 288 [label=0.000]
	289 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 289 [label=0.000]
	290 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 290 [label=0.000]
	291 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 291 [label=0.000]
	292 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 292 [label=0.000]
	293 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 293 [label=0.000]
	294 [color=aquamarine shape=rarrow style=filled]
	"51 | COCC1=CSCNC1C(=O)O" -> 294 [label=0.000]
	295 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 295 [label=0.000]
	296 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 296 [label=0.000]
	297 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 297 [label=0.000]
	298 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 298 [label=0.000]
	299 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 299 [label=0.000]
	300 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 300 [label=0.000]
	301 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 301 [label=0.000]
	302 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 302 [label=0.000]
	303 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 303 [label=0.000]
	304 [color=aquamarine shape=rarrow style=filled]
	"53 | COCC1=CSCNC1C(=O)O" -> 304 [label=0.000]
	305 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 305 [label=0.000]
	306 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 306 [label=0.000]
	307 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 307 [label=0.000]
	308 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 308 [label=0.000]
	309 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 309 [label=0.000]
	310 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 310 [label=0.000]
	311 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 311 [label=0.000]
	312 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 312 [label=0.000]
	313 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 313 [label=0.000]
	314 [color=aquamarine shape=rarrow style=filled]
	"55 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1C(=O)O" -> 314 [label=0.000]
	315 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 315 [label=0.000]
	316 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 316 [label=0.000]
	317 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 317 [label=0.000]
	318 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 318 [label=0.000]
	319 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 319 [label=0.000]
	320 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 320 [label=0.000]
	321 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 321 [label=0.000]
	322 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 322 [label=0.000]
	323 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 323 [label=0.000]
	324 [color=aquamarine shape=rarrow style=filled]
	"56 | COCC1=CSCNC1C(=O)O" -> 324 [label=0.000]
	325 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 325 [label=0.000]
	326 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 326 [label=0.000]
	327 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 327 [label=0.000]
	328 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 328 [label=0.000]
	329 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 329 [label=0.000]
	330 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 330 [label=0.000]
	331 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 331 [label=0.000]
	332 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 332 [label=0.000]
	333 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 333 [label=0.000]
	334 [color=aquamarine shape=rarrow style=filled]
	"58 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CO)=CS1" -> 334 [label=0.000]
	335 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 335 [label=0.000]
	336 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 336 [label=0.000]
	337 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 337 [label=0.000]
	338 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 338 [label=0.000]
	339 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 339 [label=0.000]
	340 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 340 [label=0.000]
	341 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 341 [label=0.000]
	342 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 342 [label=0.000]
	343 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 343 [label=0.000]
	344 [color=aquamarine shape=rarrow style=filled]
	"60 | COCC1=CSCNC1C(=O)O" -> 344 [label=0.000]
	345 [color=aquamarine shape=rarrow style=filled]
	"63 | NC1C(=O)N2CC(CBr)=CS[C@H]12" -> 345 [label=0.000]
	346 [color=aquamarine shape=rarrow style=filled]
	"63 | NC1C(=O)N2CC(CBr)=CS[C@H]12" -> 346 [label=0.000]
	347 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 347 [label=0.000]
	348 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 348 [label=0.000]
	349 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 349 [label=0.000]
	350 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 350 [label=0.000]
	351 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 351 [label=0.000]
	352 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 352 [label=0.000]
	353 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 353 [label=0.000]
	354 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 354 [label=0.000]
	355 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 355 [label=0.000]
	356 [color=aquamarine shape=rarrow style=filled]
	"64 | COCC1=CS[C@@H]2CC(=O)N2C1" -> 356 [label=0.000]
	357 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 357 [label=0.000]
	358 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 358 [label=0.000]
	359 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 359 [label=0.000]
	360 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 360 [label=0.000]
	361 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 361 [label=0.000]
	362 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 362 [label=0.000]
	363 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 363 [label=0.000]
	364 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 364 [label=0.000]
	365 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 365 [label=0.000]
	366 [color=aquamarine shape=rarrow style=filled]
	"67 | NC1C(=O)N2CC=CS[C@H]12" -> 366 [label=0.000]
	367 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 367 [label=0.000]
	368 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 368 [label=0.000]
	369 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 369 [label=0.000]
	370 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 370 [label=0.000]
	371 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 371 [label=0.000]
	372 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 372 [label=0.000]
	373 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 373 [label=0.000]
	374 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 374 [label=0.000]
	375 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 375 [label=0.000]
	376 [color=aquamarine shape=rarrow style=filled]
	"69 | NC1C(=O)N2CC(CO)=CS[C@H]12" -> 376 [label=0.000]
	377 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 377 [label=0.000]
	378 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 378 [label=0.000]
	379 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 379 [label=0.000]
	380 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 380 [label=0.000]
	381 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 381 [label=0.000]
	382 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 382 [label=0.000]
	383 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 383 [label=0.000]
	384 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 384 [label=0.000]
	385 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 385 [label=0.000]
	386 [color=aquamarine shape=rarrow style=filled]
	"70 | COCC1=CS[C@H](C(N)C(=O)O)NC1" -> 386 [label=0.000]
	387 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 387 [label=0.000]
	388 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 388 [label=0.000]
	389 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 389 [label=0.000]
	390 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 390 [label=0.000]
	391 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 391 [label=0.000]
	392 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 392 [label=0.000]
	393 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 393 [label=0.000]
	394 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 394 [label=0.000]
	395 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 395 [label=0.000]
	396 [color=aquamarine shape=rarrow style=filled]
	"71 | NC1C(=O)N2CC=CS[C@H]12" -> 396 [label=0.000]
	397 [color=lightblue shape=rarrow style=filled]
	"72 | COCCl" -> 397 [label=0.000]
	398 [color=lightblue shape=rarrow style=filled]
	"72 | COCCl" -> 398 [label=0.000]
	399 [color=lightblue shape=rarrow style=filled]
	"72 | COCCl" -> 399 [label=0.000]
	400 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 400 [label=0.000]
	401 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 401 [label=0.000]
	402 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 402 [label=0.000]
	403 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 403 [label=0.000]
	404 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 404 [label=0.000]
	405 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 405 [label=0.000]
	406 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 406 [label=0.000]
	407 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 407 [label=0.000]
	408 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 408 [label=0.000]
	409 [color=aquamarine shape=rarrow style=filled]
	"74 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 409 [label=0.000]
	410 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 410 [label=0.000]
	411 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 411 [label=0.000]
	412 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 412 [label=0.000]
	413 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 413 [label=0.000]
	414 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 414 [label=0.000]
	415 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 415 [label=0.000]
	416 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 416 [label=0.000]
	417 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 417 [label=0.000]
	418 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 418 [label=0.000]
	419 [color=aquamarine shape=rarrow style=filled]
	"76 | NC1C(=O)N2CC(C=O)=CS[C@H]12" -> 419 [label=0.000]
	420 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 420 [label=0.000]
	421 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 421 [label=0.000]
	422 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 422 [label=0.000]
	423 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 423 [label=0.000]
	424 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 424 [label=0.000]
	425 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 425 [label=0.000]
	426 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 426 [label=0.000]
	427 [color=aquamarine shape=rarrow style=filled]
	"78 | NC1C(=O)N2CC(CCl)=CS[C@H]12" -> 427 [label=0.000]
	428 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 428 [label=0.000]
	429 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 429 [label=0.000]
	430 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 430 [label=0.000]
	431 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 431 [label=0.000]
	432 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 432 [label=0.000]
	433 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 433 [label=0.000]
	434 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 434 [label=0.000]
	435 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 435 [label=0.000]
	436 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 436 [label=0.000]
	437 [color=aquamarine shape=rarrow style=filled]
	"79 | NC1C(=O)N2CC=CS[C@H]12" -> 437 [label=0.000]
	438 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 438 [label=0.000]
	439 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 439 [label=0.000]
	440 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 440 [label=0.000]
	441 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 441 [label=0.000]
	442 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 442 [label=0.000]
	443 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 443 [label=0.000]
	444 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 444 [label=0.000]
	445 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 445 [label=0.000]
	446 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 446 [label=0.000]
	447 [color=aquamarine shape=rarrow style=filled]
	"81 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 447 [label=0.000]
	448 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 448 [label=0.000]
	449 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 449 [label=0.000]
	450 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 450 [label=0.000]
	451 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 451 [label=0.000]
	452 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 452 [label=0.000]
	453 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 453 [label=0.000]
	454 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 454 [label=0.000]
	455 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 455 [label=0.000]
	456 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 456 [label=0.000]
	457 [color=aquamarine shape=rarrow style=filled]
	"83 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 457 [label=0.000]
	458 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 458 [label=0.000]
	459 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 459 [label=0.000]
	460 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 460 [label=0.000]
	461 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 461 [label=0.000]
	462 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 462 [label=0.000]
	463 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 463 [label=0.000]
	464 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 464 [label=0.000]
	465 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 465 [label=0.000]
	466 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 466 [label=0.000]
	467 [color=aquamarine shape=rarrow style=filled]
	"85 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 467 [label=0.000]
	468 [color=lightblue shape=rarrow style=filled]
	"86 | O=CCl" -> 468 [label=0.000]
	469 [color=aquamarine shape=rarrow style=filled]
	"86 | O=CCl" -> 469 [label=0.000]
	470 [color=lightblue shape=rarrow style=filled]
	"86 | O=CCl" -> 470 [label=0.000]
	471 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 471 [label=0.000]
	472 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 472 [label=0.000]
	473 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 473 [label=0.000]
	474 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 474 [label=0.000]
	475 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 475 [label=0.000]
	476 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 476 [label=0.000]
	477 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 477 [label=0.000]
	478 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 478 [label=0.000]
	479 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 479 [label=0.000]
	480 [color=aquamarine shape=rarrow style=filled]
	"87 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 480 [label=0.000]
	481 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 481 [label=0.000]
	482 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 482 [label=0.000]
	483 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 483 [label=0.000]
	484 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 484 [label=0.000]
	485 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 485 [label=0.000]
	486 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 486 [label=0.000]
	487 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 487 [label=0.000]
	488 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 488 [label=0.000]
	489 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 489 [label=0.000]
	490 [color=aquamarine shape=rarrow style=filled]
	"89 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 490 [label=0.000]
	491 [color=lightblue shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 491 [label=0.000]
	492 [color=lightblue shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 492 [label=0.000]
	493 [color=lightblue shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 493 [label=0.000]
	494 [color=lightblue shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 494 [label=0.000]
	495 [color=aquamarine shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 495 [label=0.000]
	496 [color=aquamarine shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 496 [label=0.000]
	497 [color=aquamarine shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 497 [label=0.000]
	498 [color=aquamarine shape=rarrow style=filled]
	"90 | O=COC(=O)c1cccc(Cl)c1" -> 498 [label=0.000]
	499 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 499 [label=0.000]
	500 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 500 [label=0.000]
	501 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 501 [label=0.000]
	502 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 502 [label=0.000]
	503 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 503 [label=0.000]
	504 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 504 [label=0.000]
	505 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 505 [label=0.000]
	506 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 506 [label=0.000]
	507 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 507 [label=0.000]
	508 [color=aquamarine shape=rarrow style=filled]
	"92 | COCC1=CS[C@H](C(=O)O)N(C=O)C1C(=O)O" -> 508 [label=0.000]
	509 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 509 [label=0.000]
	510 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 510 [label=0.000]
	511 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 511 [label=0.000]
	512 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 512 [label=0.000]
	513 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 513 [label=0.000]
	514 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 514 [label=0.000]
	515 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 515 [label=0.000]
	516 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 516 [label=0.000]
	517 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 517 [label=0.000]
	518 [color=aquamarine shape=rarrow style=filled]
	"93 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 518 [label=0.000]
	519 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 519 [label=0.000]
	520 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 520 [label=0.000]
	521 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 521 [label=0.000]
	522 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 522 [label=0.000]
	523 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 523 [label=0.000]
	524 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 524 [label=0.000]
	525 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 525 [label=0.000]
	526 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 526 [label=0.000]
	527 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 527 [label=0.000]
	528 [color=aquamarine shape=rarrow style=filled]
	"95 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 528 [label=0.000]
	529 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 529 [label=0.000]
	530 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 530 [label=0.000]
	531 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 531 [label=0.000]
	532 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 532 [label=0.000]
	533 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 533 [label=0.000]
	534 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 534 [label=0.000]
	535 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 535 [label=0.000]
	536 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 536 [label=0.000]
	537 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 537 [label=0.000]
	538 [color=aquamarine shape=rarrow style=filled]
	"97 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 538 [label=0.000]
	539 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 539 [label=0.000]
	540 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 540 [label=0.000]
	541 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 541 [label=0.000]
	542 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 542 [label=0.000]
	543 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 543 [label=0.000]
	544 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 544 [label=0.000]
	545 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 545 [label=0.000]
	546 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 546 [label=0.000]
	547 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 547 [label=0.000]
	548 [color=aquamarine shape=rarrow style=filled]
	"99 | COCC1=CS[C@H](C(N)=O)NC1C(=O)O" -> 548 [label=0.000]
	549 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 549 [label=0.000]
	550 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 550 [label=0.000]
	551 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 551 [label=0.000]
	552 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 552 [label=0.000]
	553 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 553 [label=0.000]
	554 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 554 [label=0.000]
	555 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 555 [label=0.000]
	556 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 556 [label=0.000]
	557 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 557 [label=0.000]
	558 [color=aquamarine shape=rarrow style=filled]
	"103 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 558 [label=0.000]
	559 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 559 [label=0.000]
	560 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 560 [label=0.000]
	561 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 561 [label=0.000]
	562 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 562 [label=0.000]
	563 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 563 [label=0.000]
	564 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 564 [label=0.000]
	565 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 565 [label=0.000]
	566 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 566 [label=0.000]
	567 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 567 [label=0.000]
	568 [color=aquamarine shape=rarrow style=filled]
	"105 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 568 [label=0.000]
	569 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 569 [label=0.000]
	570 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 570 [label=0.000]
	571 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 571 [label=0.000]
	572 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 572 [label=0.000]
	573 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 573 [label=0.000]
	574 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 574 [label=0.000]
	575 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 575 [label=0.000]
	576 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 576 [label=0.000]
	577 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 577 [label=0.000]
	578 [color=aquamarine shape=rarrow style=filled]
	"106 | NC1C(=O)N2CC(Br)=CS[C@H]12" -> 578 [label=0.000]
	579 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 579 [label=0.000]
	580 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 580 [label=0.000]
	581 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 581 [label=0.000]
	582 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 582 [label=0.000]
	583 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 583 [label=0.000]
	584 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 584 [label=0.000]
	585 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 585 [label=0.000]
	586 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 586 [label=0.000]
	587 [color=aquamarine shape=rarrow style=filled]
	"108 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 587 [label=0.000]
	588 [color=aquamarine shape=rarrow style=filled]
	"109 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" -> 588 [label=0.000]
	589 [color=aquamarine shape=rarrow style=filled]
	"109 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" -> 589 [label=0.000]
	590 [color=aquamarine shape=rarrow style=filled]
	"109 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" -> 590 [label=0.000]
	591 [color=aquamarine shape=rarrow style=filled]
	"109 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" -> 591 [label=0.000]
	592 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 592 [label=0.000]
	593 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 593 [label=0.000]
	594 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 594 [label=0.000]
	595 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 595 [label=0.000]
	596 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 596 [label=0.000]
	597 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 597 [label=0.000]
	598 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 598 [label=0.000]
	599 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 599 [label=0.000]
	600 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 600 [label=0.000]
	601 [color=aquamarine shape=rarrow style=filled]
	"112 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" -> 601 [label=0.000]
	602 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 602 [label=0.000]
	603 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 603 [label=0.000]
	604 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 604 [label=0.000]
	605 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 605 [label=0.000]
	606 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 606 [label=0.000]
	607 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 607 [label=0.000]
	608 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 608 [label=0.000]
	609 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 609 [label=0.000]
	610 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 610 [label=0.000]
	611 [color=aquamarine shape=rarrow style=filled]
	"113 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 611 [label=0.000]
	612 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 612 [label=0.000]
	613 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 613 [label=0.000]
	614 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 614 [label=0.000]
	615 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 615 [label=0.000]
	616 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 616 [label=0.000]
	617 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 617 [label=0.000]
	618 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 618 [label=0.000]
	619 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 619 [label=0.000]
	620 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 620 [label=0.000]
	621 [color=aquamarine shape=rarrow style=filled]
	"114 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 621 [label=0.000]
	622 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 622 [label=0.000]
	623 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 623 [label=0.000]
	624 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 624 [label=0.000]
	625 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 625 [label=0.000]
	626 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 626 [label=0.000]
	627 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 627 [label=0.000]
	628 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 628 [label=0.000]
	629 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 629 [label=0.000]
	630 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 630 [label=0.000]
	631 [color=aquamarine shape=rarrow style=filled]
	"115 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" -> 631 [label=0.000]
	632 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 632 [label=0.000]
	633 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 633 [label=0.000]
	634 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 634 [label=0.000]
	635 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 635 [label=0.000]
	636 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 636 [label=0.000]
	637 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 637 [label=0.000]
	638 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 638 [label=0.000]
	639 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 639 [label=0.000]
	640 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 640 [label=0.000]
	641 [color=aquamarine shape=rarrow style=filled]
	"117 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" -> 641 [label=0.000]
	642 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 642 [label=0.000]
	643 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 643 [label=0.000]
	644 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 644 [label=0.000]
	645 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 645 [label=0.000]
	646 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 646 [label=0.000]
	647 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 647 [label=0.000]
	648 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 648 [label=0.000]
	649 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 649 [label=0.000]
	650 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 650 [label=0.000]
	651 [color=aquamarine shape=rarrow style=filled]
	"119 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" -> 651 [label=0.000]
	652 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 652 [label=0.000]
	653 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 653 [label=0.000]
	654 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 654 [label=0.000]
	655 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 655 [label=0.000]
	656 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 656 [label=0.000]
	657 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 657 [label=0.000]
	658 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 658 [label=0.000]
	659 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 659 [label=0.000]
	660 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 660 [label=0.000]
	661 [color=aquamarine shape=rarrow style=filled]
	"121 | COCC1=CS[C@H](CN)NC1C(=O)O" -> 661 [label=0.000]
	662 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 662 [label=0.000]
	663 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 663 [label=0.000]
	664 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 664 [label=0.000]
	665 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 665 [label=0.000]
	666 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 666 [label=0.000]
	667 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 667 [label=0.000]
	668 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 668 [label=0.000]
	669 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 669 [label=0.000]
	670 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 670 [label=0.000]
	671 [color=aquamarine shape=rarrow style=filled]
	"123 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 671 [label=0.000]
	672 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 672 [label=0.000]
	673 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 673 [label=0.000]
	674 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 674 [label=0.000]
	675 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 675 [label=0.000]
	676 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 676 [label=0.000]
	677 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 677 [label=0.000]
	678 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 678 [label=0.000]
	679 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 679 [label=0.000]
	680 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 680 [label=0.000]
	681 [color=aquamarine shape=rarrow style=filled]
	"125 | COCC1=CSCN(C(=O)O)C1C(=O)O" -> 681 [label=0.000]
	682 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 682 [label=0.000]
	683 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 683 [label=0.000]
	684 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 684 [label=0.000]
	685 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 685 [label=0.000]
	686 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 686 [label=0.000]
	687 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 687 [label=0.000]
	688 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 688 [label=0.000]
	689 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 689 [label=0.000]
	690 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 690 [label=0.000]
	691 [color=aquamarine shape=rarrow style=filled]
	"126 | COCC(=CS[C]CN)C([N]C(=O)O)C(=O)O" -> 691 [label=0.000]
	692 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 692 [label=0.000]
	693 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 693 [label=0.000]
	694 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 694 [label=0.000]
	695 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 695 [label=0.000]
	696 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 696 [label=0.000]
	697 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 697 [label=0.000]
	698 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 698 [label=0.000]
	699 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 699 [label=0.000]
	700 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 700 [label=0.000]
	701 [color=aquamarine shape=rarrow style=filled]
	"127 | COCC(=CS)C(C(=O)O)N(CCNC(=O)OC(C)(C)C)C(=O)O" -> 701 [label=0.000]
	702 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 702 [label=0.000]
	703 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 703 [label=0.000]
	704 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 704 [label=0.000]
	705 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 705 [label=0.000]
	706 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 706 [label=0.000]
	707 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 707 [label=0.000]
	708 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 708 [label=0.000]
	709 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 709 [label=0.000]
	710 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 710 [label=0.000]
	711 [color=aquamarine shape=rarrow style=filled]
	"128 | COCC(=C[S])C(C(=O)O)N([C]CN)C(=O)O" -> 711 [label=0.000]
	712 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 712 [label=0.000]
	713 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 713 [label=0.000]
	714 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 714 [label=0.000]
	715 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 715 [label=0.000]
	716 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 716 [label=0.000]
	717 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 717 [label=0.000]
	718 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 718 [label=0.000]
	719 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 719 [label=0.000]
	720 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 720 [label=0.000]
	721 [color=aquamarine shape=rarrow style=filled]
	"129 | COCC(=CSC(=O)CN)C(NC(=O)O)C(=O)O" -> 721 [label=0.000]
	722 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 722 [label=0.000]
	723 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 723 [label=0.000]
	724 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 724 [label=0.000]
	725 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 725 [label=0.000]
	726 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 726 [label=0.000]
	727 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 727 [label=0.000]
	728 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 728 [label=0.000]
	729 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 729 [label=0.000]
	730 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 730 [label=0.000]
	731 [color=aquamarine shape=rarrow style=filled]
	"130 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" -> 731 [label=0.000]
	732 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 732 [label=0.000]
	733 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 733 [label=0.000]
	734 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 734 [label=0.000]
	735 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 735 [label=0.000]
	736 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 736 [label=0.000]
	737 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 737 [label=0.000]
	738 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 738 [label=0.000]
	739 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 739 [label=0.000]
	740 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 740 [label=0.000]
	741 [color=aquamarine shape=rarrow style=filled]
	"132 | COCC(CSCCN)C(NC(=O)O)C(=O)O" -> 741 [label=0.000]
	742 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 742 [label=0.000]
	743 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 743 [label=0.000]
	744 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 744 [label=0.000]
	745 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 745 [label=0.000]
	746 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 746 [label=0.000]
	747 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 747 [label=0.000]
	748 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 748 [label=0.000]
	749 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 749 [label=0.000]
	750 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 750 [label=0.000]
	751 [color=aquamarine shape=rarrow style=filled]
	"133 | COCC(=CS)C(C(=O)O)N(CC(N)=O)C(=O)O" -> 751 [label=0.000]
	752 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 752 [label=0.000]
	753 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 753 [label=0.000]
	754 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 754 [label=0.000]
	755 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 755 [label=0.000]
	756 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 756 [label=0.000]
	757 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 757 [label=0.000]
	758 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 758 [label=0.000]
	759 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 759 [label=0.000]
	760 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 760 [label=0.000]
	761 [color=aquamarine shape=rarrow style=filled]
	"140 | NC1C(=O)N2CC=CS[C@H]12" -> 761 [label=0.000]
	762 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 762 [label=0.000]
	763 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 763 [label=0.000]
	764 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 764 [label=0.000]
	765 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 765 [label=0.000]
	766 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 766 [label=0.000]
	767 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 767 [label=0.000]
	768 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 768 [label=0.000]
	769 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 769 [label=0.000]
	770 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 770 [label=0.000]
	771 [color=aquamarine shape=rarrow style=filled]
	"142 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 771 [label=0.000]
	772 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 772 [label=0.000]
	773 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 773 [label=0.000]
	774 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 774 [label=0.000]
	775 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 775 [label=0.000]
	776 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 776 [label=0.000]
	777 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 777 [label=0.000]
	778 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 778 [label=0.000]
	779 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 779 [label=0.000]
	780 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 780 [label=0.000]
	781 [color=aquamarine shape=rarrow style=filled]
	"143 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" -> 781 [label=0.000]
	782 [color=aquamarine shape=rarrow style=filled]
	"145 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" -> 782 [label=0.000]
	783 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 783 [label=0.000]
	784 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 784 [label=0.000]
	785 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 785 [label=0.000]
	786 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 786 [label=0.000]
	787 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 787 [label=0.000]
	788 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 788 [label=0.000]
	789 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 789 [label=0.000]
	790 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 790 [label=0.000]
	791 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 791 [label=0.000]
	792 [color=aquamarine shape=rarrow style=filled]
	"146 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" -> 792 [label=0.000]
	793 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 793 [label=0.000]
	794 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 794 [label=0.000]
	795 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 795 [label=0.000]
	796 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 796 [label=0.000]
	797 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 797 [label=0.000]
	798 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 798 [label=0.000]
	799 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 799 [label=0.000]
	800 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 800 [label=0.000]
	801 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 801 [label=0.000]
	802 [color=aquamarine shape=rarrow style=filled]
	"147 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" -> 802 [label=0.000]
	803 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 803 [label=0.000]
	804 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 804 [label=0.000]
	805 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 805 [label=0.000]
	806 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 806 [label=0.000]
	807 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 807 [label=0.000]
	808 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 808 [label=0.000]
	809 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 809 [label=0.000]
	810 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 810 [label=0.000]
	811 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 811 [label=0.000]
	812 [color=aquamarine shape=rarrow style=filled]
	"148 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" -> 812 [label=0.000]
	813 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 813 [label=0.000]
	814 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 814 [label=0.000]
	815 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 815 [label=0.000]
	816 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 816 [label=0.000]
	817 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 817 [label=0.000]
	818 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 818 [label=0.000]
	819 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 819 [label=0.000]
	820 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 820 [label=0.000]
	821 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 821 [label=0.000]
	822 [color=aquamarine shape=rarrow style=filled]
	"150 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" -> 822 [label=0.000]
	823 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 823 [label=0.000]
	824 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 824 [label=0.000]
	825 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 825 [label=0.000]
	826 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 826 [label=0.000]
	827 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 827 [label=0.000]
	828 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 828 [label=0.000]
	829 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 829 [label=0.000]
	830 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 830 [label=0.000]
	831 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 831 [label=0.000]
	832 [color=aquamarine shape=rarrow style=filled]
	"152 | NC[C@@H]1NC(C(=O)O)C=CS1" -> 832 [label=0.000]
	833 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 833 [label=0.000]
	834 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 834 [label=0.000]
	835 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 835 [label=0.000]
	836 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 836 [label=0.000]
	837 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 837 [label=0.000]
	838 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 838 [label=0.000]
	839 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 839 [label=0.000]
	840 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 840 [label=0.000]
	841 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 841 [label=0.000]
	842 [color=aquamarine shape=rarrow style=filled]
	"153 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" -> 842 [label=0.000]
	843 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 843 [label=0.000]
	844 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 844 [label=0.000]
	845 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 845 [label=0.000]
	846 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 846 [label=0.000]
	847 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 847 [label=0.000]
	848 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 848 [label=0.000]
	849 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 849 [label=0.000]
	850 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 850 [label=0.000]
	851 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 851 [label=0.000]
	852 [color=aquamarine shape=rarrow style=filled]
	"154 | CC1=CS[C@@H]2C(N)C(=O)N2C1C(=O)O" -> 852 [label=0.000]
	853 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 853 [label=0.000]
	854 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 854 [label=0.000]
	855 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 855 [label=0.000]
	856 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 856 [label=0.000]
	857 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 857 [label=0.000]
	858 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 858 [label=0.000]
	859 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 859 [label=0.000]
	860 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 860 [label=0.000]
	861 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 861 [label=0.000]
	862 [color=aquamarine shape=rarrow style=filled]
	"157 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" -> 862 [label=0.000]
	863 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 863 [label=0.000]
	864 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 864 [label=0.000]
	865 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 865 [label=0.000]
	866 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 866 [label=0.000]
	867 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 867 [label=0.000]
	868 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 868 [label=0.000]
	869 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 869 [label=0.000]
	870 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 870 [label=0.000]
	871 [color=aquamarine shape=rarrow style=filled]
	"158 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 871 [label=0.000]
	872 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 872 [label=0.000]
	873 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 873 [label=0.000]
	874 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 874 [label=0.000]
	875 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 875 [label=0.000]
	876 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 876 [label=0.000]
	877 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 877 [label=0.000]
	878 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 878 [label=0.000]
	879 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 879 [label=0.000]
	880 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 880 [label=0.000]
	881 [color=aquamarine shape=rarrow style=filled]
	"159 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(CBr)=CS1" -> 881 [label=0.000]
	882 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 882 [label=0.000]
	883 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 883 [label=0.000]
	884 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 884 [label=0.000]
	885 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 885 [label=0.000]
	886 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 886 [label=0.000]
	887 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 887 [label=0.000]
	888 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 888 [label=0.000]
	889 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 889 [label=0.000]
	890 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 890 [label=0.000]
	891 [color=aquamarine shape=rarrow style=filled]
	"161 | NC1C(=O)N2C(C(=O)O)C(Br)=CS[C@H]12" -> 891 [label=0.000]
	"162 | O=C1C[C@H]2SC=CCN12" [color=aquamarine shape=box style=filled]
	96 -> "162 | O=C1C[C@H]2SC=CCN12" [label=""]
	"163 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	96 -> "163 | CC(C)(C)OC(N)=O" [label=""]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=aquamarine shape=box style=filled]
	97 -> "164 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	98 -> "165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" [color=aquamarine shape=box style=filled]
	99 -> "166 | NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"167 | N" [color=lightyellow shape=box style=filled]
	100 -> "167 | N" [label=""]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	100 -> "168 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	101 -> "169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"170 | NC[C@H]1SC=CCN1C(=O)O" [color=aquamarine shape=box style=filled]
	102 -> "170 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [color=aquamarine shape=box style=filled]
	103 -> "171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [label=""]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" [color=aquamarine shape=box style=filled]
	104 -> "172 | O=NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"173 | O=CO" [color=lightyellow shape=box style=filled]
	105 -> "173 | O=CO" [label=""]
	"174 | NC[C@@H]1NCC=CS1" [color=aquamarine shape=box style=filled]
	105 -> "174 | NC[C@@H]1NCC=CS1" [label=""]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=aquamarine shape=box style=filled]
	106 -> "175 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"176 | O=C=O" [color=lightyellow shape=box style=filled]
	106 -> "176 | O=C=O" [label=""]
	"177 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	107 -> "177 | NC(=O)C(=O)O" [label=""]
	"178 | O=C(O)C1C=CSCN1" [color=aquamarine shape=box style=filled]
	107 -> "178 | O=C(O)C1C=CSCN1" [label=""]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	108 -> "179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"180 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	108 -> "180 | CC(C)(C)OC(N)=O" [label=""]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	109 -> "181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	110 -> "182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" [color=aquamarine shape=box style=filled]
	111 -> "183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" [label=""]
	"184 | N" [color=lightyellow shape=box style=filled]
	112 -> "184 | N" [label=""]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	112 -> "185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"186 | O=C(O)C1C=CSCN1" [color=aquamarine shape=box style=filled]
	113 -> "186 | O=C(O)C1C=CSCN1" [label=""]
	"187 | NC(Br)C(=O)O" [color=lightblue shape=box style=filled]
	113 -> "187 | NC(Br)C(=O)O" [label=""]
	"188 | N" [color=lightyellow shape=box style=filled]
	114 -> "188 | N" [label=""]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=aquamarine shape=box style=filled]
	114 -> "189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	115 -> "190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	116 -> "191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"192 | O=C1C[C@H]2SC=CCN12" [color=aquamarine shape=box style=filled]
	117 -> "192 | O=C1C[C@H]2SC=CCN12" [label=""]
	"193 | O=C=O" [color=lightyellow shape=box style=filled]
	117 -> "193 | O=C=O" [label=""]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [color=aquamarine shape=box style=filled]
	118 -> "194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	119 -> "195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" [color=aquamarine shape=box style=filled]
	120 -> "196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" [label=""]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" [color=aquamarine shape=box style=filled]
	121 -> "197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" [color=aquamarine shape=box style=filled]
	122 -> "198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" [label=""]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" [color=aquamarine shape=box style=filled]
	123 -> "199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"200 | [CH][S]" [color=lightblue shape=box style=filled]
	124 -> "200 | [CH][S]" [label=""]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" [color=lightblue shape=box style=filled]
	124 -> "201 | [CH]C(C(=O)O)N1[CH]CC1=O" [label=""]
	"202 | C=CC(C(=O)O)N1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	125 -> "202 | C=CC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"203 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	126 -> "203 | O=C(Cl)Cl" [label=""]
	"204 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	126 -> "204 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"205 | O=C=O" [color=lightyellow shape=box style=filled]
	127 -> "205 | O=C=O" [label=""]
	"206 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	127 -> "206 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"207 | NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	128 -> "207 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"208 | O=C=O" [color=lightyellow shape=box style=filled]
	128 -> "208 | O=C=O" [label=""]
	"209 | NC[C@H](NC(=O)O)SC=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	129 -> "209 | NC[C@H](NC(=O)O)SC=CC(=O)C(=O)O" [label=""]
	"210 | CC(C)(C)OC(=O)NCCSC=CC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	130 -> "210 | CC(C)(C)OC(=O)NCCSC=CC(NC(=O)O)C(=O)O" [label=""]
	"211 | NC[C]SC=CC([N]C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	131 -> "211 | NC[C]SC=CC([N]C(=O)O)C(=O)O" [label=""]
	"212 | NC[C@H](NC(=O)O)SC=CCC(=O)O" [color=lightgrey shape=box style=filled]
	132 -> "212 | NC[C@H](NC(=O)O)SC=CCC(=O)O" [label=""]
	"213 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	133 -> "213 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"214 | NC=O" [color=lightyellow shape=box style=filled]
	133 -> "214 | NC=O" [label=""]
	"215 | NC[C@H](NC(=O)O)SC=CC(O)C(=O)O" [color=lightgrey shape=box style=filled]
	134 -> "215 | NC[C@H](NC(=O)O)SC=CC(O)C(=O)O" [label=""]
	"216 | CC(C)(C)OC(=O)C(N)CSC=CC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	135 -> "216 | CC(C)(C)OC(=O)C(N)CSC=CC(NC(=O)O)C(=O)O" [label=""]
	"217 | CC(C)(C)OC(=O)NC[C@H](NC(=O)O)SC=CCC(=O)O" [color=lightgrey shape=box style=filled]
	136 -> "217 | CC(C)(C)OC(=O)NC[C@H](NC(=O)O)SC=CCC(=O)O" [label=""]
	"218 | CCCC(=O)O" [color=lightyellow shape=box style=filled]
	137 -> "218 | CCCC(=O)O" [label=""]
	"219 | NC1C(=O)NC1=S" [color=lightgrey shape=box style=filled]
	137 -> "219 | NC1C(=O)NC1=S" [label=""]
	"220 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	138 -> "220 | CCC(=O)C(=O)O" [label=""]
	"221 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	138 -> "221 | NC1C(=O)N[C@@H]1S" [label=""]
	"222 | CCC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	139 -> "222 | CCC(O)C(=O)O" [label=""]
	"223 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	139 -> "223 | NC1C(=O)N[C@@H]1S" [label=""]
	"224 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	140 -> "224 | NC1C(=O)N[C@@H]1S" [label=""]
	"225 | CCC(Br)C(=O)O" [color=lightyellow shape=box style=filled]
	140 -> "225 | CCC(Br)C(=O)O" [label=""]
	"226 | CCCC(=O)O" [color=lightyellow shape=box style=filled]
	141 -> "226 | CCCC(=O)O" [label=""]
	"227 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	141 -> "227 | NC1C(=O)N[C@@H]1S" [label=""]
	"228 | CCC(N[C@H](S)C(N)C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	142 -> "228 | CCC(N[C@H](S)C(N)C(=O)O)C(=O)O" [label=""]
	"229 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	143 -> "229 | CCC(=O)C(=O)O" [label=""]
	"230 | NC1C(=O)NC1=S" [color=lightgrey shape=box style=filled]
	143 -> "230 | NC1C(=O)NC1=S" [label=""]
	"231 | CCC(NC(=O)C(N)C=S)C(=O)O" [color=lightgrey shape=box style=filled]
	144 -> "231 | CCC(NC(=O)C(N)C=S)C(=O)O" [label=""]
	"232 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	145 -> "232 | CCC(=O)C(=O)O" [label=""]
	"233 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	145 -> "233 | NC1C(=O)N[C@@H]1S" [label=""]
	"234 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	146 -> "234 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"235 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	146 -> "235 | CC(C)(C)OC(N)=O" [label=""]
	"236 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	147 -> "236 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [label=""]
	"237 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)Cl" [color=lightgrey shape=box style=filled]
	148 -> "237 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)Cl" [label=""]
	"238 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	149 -> "238 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"239 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	150 -> "239 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)O" [label=""]
	"240 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	151 -> "240 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"241 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	152 -> "241 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [label=""]
	"242 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	153 -> "242 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)Cl" [label=""]
	"243 | O=C(O)C(=O)N1CSC=CC1C(=O)O" [color=lightgrey shape=box style=filled]
	154 -> "243 | O=C(O)C(=O)N1CSC=CC1C(=O)O" [label=""]
	"244 | CCOC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=lightgrey shape=box style=filled]
	155 -> "244 | CCOC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"245 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	156 -> "245 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"246 | O=C=O" [color=lightyellow shape=box style=filled]
	156 -> "246 | O=C=O" [label=""]
	"247 | O=CO" [color=lightyellow shape=box style=filled]
	157 -> "247 | O=CO" [label=""]
	"248 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	157 -> "248 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"249 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	158 -> "249 | CN(C)C=O" [label=""]
	"250 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	158 -> "250 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"251 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	159 -> "251 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"252 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	159 -> "252 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"253 | N" [color=lightyellow shape=box style=filled]
	160 -> "253 | N" [label=""]
	"254 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	160 -> "254 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [label=""]
	"255 | O=CO" [color=lightyellow shape=box style=filled]
	161 -> "255 | O=CO" [label=""]
	"256 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	161 -> "256 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"257 | CO" [color=lightyellow shape=box style=filled]
	162 -> "257 | CO" [label=""]
	"258 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	162 -> "258 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"259 | NC(=O)[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	163 -> "259 | NC(=O)[C@H]1SC=CCN1C=O" [label=""]
	"260 | O=C=O" [color=lightyellow shape=box style=filled]
	163 -> "260 | O=C=O" [label=""]
	"261 | O=CCl" [color=lightgrey shape=box style=filled]
	164 -> "261 | O=CCl" [label=""]
	"262 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	164 -> "262 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"263 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	165 -> "263 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"264 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	165 -> "264 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"265 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	166 -> "265 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"266 | C=CO" [color=lightgrey shape=box style=filled]
	166 -> "266 | C=CO" [label=""]
	"267 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	167 -> "267 | NC[C@@H]1NCC=CS1" [label=""]
	"268 | O=C=O" [color=lightyellow shape=box style=filled]
	167 -> "268 | O=C=O" [label=""]
	"269 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	168 -> "269 | O=C(O)C1C=CSCN1" [label=""]
	"270 | NC=O" [color=lightyellow shape=box style=filled]
	168 -> "270 | NC=O" [label=""]
	"271 | N" [color=lightyellow shape=box style=filled]
	169 -> "271 | N" [label=""]
	"272 | O=C(O)C1C=CS[C@H](CO)N1" [color=lightgrey shape=box style=filled]
	169 -> "272 | O=C(O)C1C=CS[C@H](CO)N1" [label=""]
	"273 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	170 -> "273 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"274 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	171 -> "274 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"275 | N" [color=lightyellow shape=box style=filled]
	172 -> "275 | N" [label=""]
	"276 | O=C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	172 -> "276 | O=C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"277 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	173 -> "277 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"278 | O=C=O" [color=lightyellow shape=box style=filled]
	173 -> "278 | O=C=O" [label=""]
	"279 | N" [color=lightyellow shape=box style=filled]
	174 -> "279 | N" [label=""]
	"280 | O=C(O)C1C=CS[C@H](CBr)N1" [color=lightgrey shape=box style=filled]
	174 -> "280 | O=C(O)C1C=CS[C@H](CBr)N1" [label=""]
	"281 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	175 -> "281 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"282 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	176 -> "282 | O=C(O)C1C=CSCN1" [label=""]
	"283 | NCBr" [color=lightgrey shape=box style=filled]
	176 -> "283 | NCBr" [label=""]
	"284 | CC(C)(C)OC(=O)NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	177 -> "284 | CC(C)(C)OC(=O)NCC(=O)Cl" [label=""]
	"285 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	177 -> "285 | O=C(O)C1C=CSCN1" [label=""]
	"286 | NC(=O)C(=O)Cl" [color=lightyellow shape=box style=filled]
	178 -> "286 | NC(=O)C(=O)Cl" [label=""]
	"287 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	178 -> "287 | O=C(O)C1C=CSCN1" [label=""]
	"288 | N=CC(=O)Cl" [color=lightgrey shape=box style=filled]
	179 -> "288 | N=CC(=O)Cl" [label=""]
	"289 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	179 -> "289 | O=C(O)C1C=CSCN1" [label=""]
	"290 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	180 -> "290 | O=C(Cl)Cl" [label=""]
	"291 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	180 -> "291 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"292 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	181 -> "292 | O=C(O)C1C=CSC=N1" [label=""]
	"293 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	181 -> "293 | NCC(=O)Cl" [label=""]
	"294 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	182 -> "294 | O=C(Cl)Cl" [label=""]
	"295 | CN" [color=lightyellow shape=box style=filled]
	182 -> "295 | CN" [label=""]
	"296 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	182 -> "296 | O=C(O)C1C=CSCN1" [label=""]
	"297 | NC(C(=O)Cl)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	183 -> "297 | NC(C(=O)Cl)[C@@H]1NCC=CS1" [label=""]
	"298 | O=C=O" [color=lightyellow shape=box style=filled]
	183 -> "298 | O=C=O" [label=""]
	"299 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	184 -> "299 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"300 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	184 -> "300 | CC(C)(C)OC(N)=O" [label=""]
	"301 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	185 -> "301 | O=C(O)C1C=CSC=N1" [label=""]
	"302 | O=NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	185 -> "302 | O=NCC(=O)Cl" [label=""]
	"303 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	186 -> "303 | O=C(O)C1C=CSC=N1" [label=""]
	"304 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	186 -> "304 | NCC(=O)Cl" [label=""]
	"305 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [color=lightgrey shape=box style=filled]
	187 -> "305 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"306 | O=C=O" [color=lightyellow shape=box style=filled]
	187 -> "306 | O=C=O" [label=""]
	"307 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	188 -> "307 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [label=""]
	"308 | CC1=CS[C@@H]2CC(=O)N2C1C(=O)O" [color=lightgrey shape=box style=filled]
	189 -> "308 | CC1=CS[C@@H]2CC(=O)N2C1C(=O)O" [label=""]
	"309 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	189 -> "309 | CC(C)(C)OC(N)=O" [label=""]
	"310 | CC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" [color=lightgrey shape=box style=filled]
	190 -> "310 | CC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" [label=""]
	"311 | CC1=CS[C@H](CN)N(C(=O)Cl)C1C(=O)O" [color=lightgrey shape=box style=filled]
	191 -> "311 | CC1=CS[C@H](CN)N(C(=O)Cl)C1C(=O)O" [label=""]
	"312 | C=O" [color=lightyellow shape=box style=filled]
	192 -> "312 | C=O" [label=""]
	"313 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [color=lightgrey shape=box style=filled]
	192 -> "313 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [label=""]
	"314 | N" [color=lightyellow shape=box style=filled]
	193 -> "314 | N" [label=""]
	"315 | CC1=CS[C@@H]2C(=O)C(=O)N2C1C(=O)O" [color=lightgrey shape=box style=filled]
	193 -> "315 | CC1=CS[C@@H]2C(=O)C(=O)N2C1C(=O)O" [label=""]
	"316 | CC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" [color=lightgrey shape=box style=filled]
	194 -> "316 | CC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" [label=""]
	"317 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(C)=CS1" [color=lightgrey shape=box style=filled]
	195 -> "317 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(C)=CS1" [label=""]
	"318 | O=CO" [color=lightyellow shape=box style=filled]
	196 -> "318 | O=CO" [label=""]
	"319 | CC1=CS[C@H](CN)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	196 -> "319 | CC1=CS[C@H](CN)NC1C(=O)O" [label=""]
	"320 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	197 -> "320 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"321 | O=C=O" [color=lightyellow shape=box style=filled]
	197 -> "321 | O=C=O" [label=""]
	"322 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	198 -> "322 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"323 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	199 -> "323 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"324 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	199 -> "324 | CC(C)(C)OC(N)=O" [label=""]
	"325 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	200 -> "325 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [label=""]
	"326 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	201 -> "326 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"327 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [color=lightgrey shape=box style=filled]
	202 -> "327 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [label=""]
	"328 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [color=lightgrey shape=box style=filled]
	203 -> "328 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"329 | N" [color=lightyellow shape=box style=filled]
	203 -> "329 | N" [label=""]
	"330 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=lightgrey shape=box style=filled]
	204 -> "330 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"331 | O=CO" [color=lightyellow shape=box style=filled]
	205 -> "331 | O=CO" [label=""]
	"332 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	205 -> "332 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"333 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	206 -> "333 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"334 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	207 -> "334 | O=C1CCC(=O)N1Br" [label=""]
	"335 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	207 -> "335 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [label=""]
	"336 | O=C=O" [color=lightyellow shape=box style=filled]
	208 -> "336 | O=C=O" [label=""]
	"337 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [color=lightgrey shape=box style=filled]
	208 -> "337 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [label=""]
	"338 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	209 -> "338 | O=C(O)C1NCSC=C1CBr" [label=""]
	"339 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	209 -> "339 | NC(=O)C(=O)O" [label=""]
	"340 | BrCBr" [color=lightyellow shape=box style=filled]
	210 -> "340 | BrCBr" [label=""]
	"341 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	210 -> "341 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"342 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	211 -> "342 | NCC(=O)O" [label=""]
	"343 | O=C(O)C1NCSC=C1C(Br)Br" [color=lightgrey shape=box style=filled]
	211 -> "343 | O=C(O)C1NCSC=C1C(Br)Br" [label=""]
	"344 | N" [color=lightyellow shape=box style=filled]
	212 -> "344 | N" [label=""]
	"345 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	212 -> "345 | O=C(O)C1NCSC=C1CBr" [label=""]
	"346 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	212 -> "346 | O=CC(=O)O" [label=""]
	"347 | BrCBr" [color=lightyellow shape=box style=filled]
	213 -> "347 | BrCBr" [label=""]
	"348 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	213 -> "348 | O=C(O)C1C=CSCN1" [label=""]
	"349 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	213 -> "349 | NCC(=O)O" [label=""]
	"350 | O=C(O)C1[C]=CS[CH]N1" [color=lightgrey shape=box style=filled]
	214 -> "350 | O=C(O)C1[C]=CS[CH]N1" [label=""]
	"351 | N[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	214 -> "351 | N[CH]C(=O)O" [label=""]
	"352 | [CH2]Br" [color=lightgrey shape=box style=filled]
	214 -> "352 | [CH2]Br" [label=""]
	"353 | CBr" [color=lightyellow shape=box style=filled]
	215 -> "353 | CBr" [label=""]
	"354 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	215 -> "354 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"355 | O=C(O)C1N=CSC=C1CBr" [color=lightgrey shape=box style=filled]
	216 -> "355 | O=C(O)C1N=CSC=C1CBr" [label=""]
	"356 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	216 -> "356 | NCC(=O)Cl" [label=""]
	"357 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	217 -> "357 | O=C1CCC(=O)N1Br" [label=""]
	"358 | CC1=CS[C@H](C(N)C(=O)Cl)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	217 -> "358 | CC1=CS[C@H](C(N)C(=O)Cl)NC1C(=O)O" [label=""]
	"359 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	218 -> "359 | O=C(O)C1NCSC=C1CBr" [label=""]
	"360 | NC(=O)C(=O)Cl" [color=lightyellow shape=box style=filled]
	218 -> "360 | NC(=O)C(=O)Cl" [label=""]
	"361 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	219 -> "361 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"362 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	219 -> "362 | O=C(Cl)Cl" [label=""]
	"363 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	220 -> "363 | O=C(O)C1NCSC=C1CBr" [label=""]
	"364 | N=CC(=O)Cl" [color=lightgrey shape=box style=filled]
	220 -> "364 | N=CC(=O)Cl" [label=""]
	"365 | CC(C)(C)OC(=O)NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	221 -> "365 | CC(C)(C)OC(=O)NCC(=O)Cl" [label=""]
	"366 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	221 -> "366 | O=C(O)C1NCSC=C1CBr" [label=""]
	"367 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	222 -> "367 | NCC(=O)Cl" [label=""]
	"368 | BrCBr" [color=lightyellow shape=box style=filled]
	222 -> "368 | BrCBr" [label=""]
	"369 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	222 -> "369 | O=C(O)C1C=CSCN1" [label=""]
	"370 | NC(C(=O)Cl)[C@@H]1NCC(CBr)=CS1" [color=lightgrey shape=box style=filled]
	223 -> "370 | NC(C(=O)Cl)[C@@H]1NCC(CBr)=CS1" [label=""]
	"371 | O=C=O" [color=lightyellow shape=box style=filled]
	223 -> "371 | O=C=O" [label=""]
	"372 | O=C(O)C1N=CSC=C1CBr" [color=lightgrey shape=box style=filled]
	224 -> "372 | O=C(O)C1N=CSC=C1CBr" [label=""]
	"373 | O=NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	224 -> "373 | O=NCC(=O)Cl" [label=""]
	"374 | N[CH]C(=O)Cl" [color=lightgrey shape=box style=filled]
	225 -> "374 | N[CH]C(=O)Cl" [label=""]
	"375 | O=C(O)C1[C]=CS[CH]N1" [color=lightgrey shape=box style=filled]
	225 -> "375 | O=C(O)C1[C]=CS[CH]N1" [label=""]
	"376 | [CH2]Br" [color=lightgrey shape=box style=filled]
	225 -> "376 | [CH2]Br" [label=""]
	"377 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	226 -> "377 | O=C1CCC(=O)N1Br" [label=""]
	"378 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [color=lightgrey shape=box style=filled]
	226 -> "378 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [label=""]
	"379 | NC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	227 -> "379 | NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"380 | O=C=O" [color=lightyellow shape=box style=filled]
	227 -> "380 | O=C=O" [label=""]
	"381 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	228 -> "381 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"382 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	229 -> "382 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [label=""]
	"383 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	229 -> "383 | CC(C)(C)OC(N)=O" [label=""]
	"384 | N" [color=lightyellow shape=box style=filled]
	230 -> "384 | N" [label=""]
	"385 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" [color=lightgrey shape=box style=filled]
	230 -> "385 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"386 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	231 -> "386 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"387 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	232 -> "387 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"388 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	233 -> "388 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"389 | N" [color=lightyellow shape=box style=filled]
	234 -> "389 | N" [label=""]
	"390 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" [color=lightgrey shape=box style=filled]
	234 -> "390 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" [label=""]
	"391 | N" [color=lightyellow shape=box style=filled]
	235 -> "391 | N" [label=""]
	"392 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	235 -> "392 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" [label=""]
	"393 | CO" [color=lightyellow shape=box style=filled]
	236 -> "393 | CO" [label=""]
	"394 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	236 -> "394 | O=C(O)C1NCSC=C1CBr" [label=""]
	"395 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	237 -> "395 | COCC1=CSCNC1" [label=""]
	"396 | O=C=O" [color=lightyellow shape=box style=filled]
	237 -> "396 | O=C=O" [label=""]
	"397 | COCBr" [color=lightyellow shape=box style=filled]
	238 -> "397 | COCBr" [label=""]
	"398 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	238 -> "398 | O=C(O)C1C=CSCN1" [label=""]
	"399 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	239 -> "399 | CC1=CSCNC1C(=O)O" [label=""]
	"400 | C=CO" [color=lightgrey shape=box style=filled]
	239 -> "400 | C=CO" [label=""]
	"401 | O=CO" [color=lightyellow shape=box style=filled]
	240 -> "401 | O=CO" [label=""]
	"402 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	240 -> "402 | O=C(O)C1NCSC=C1CBr" [label=""]
	"403 | CO" [color=lightyellow shape=box style=filled]
	241 -> "403 | CO" [label=""]
	"404 | O=CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	241 -> "404 | O=CC1=CSCNC1C(=O)O" [label=""]
	"405 | CO" [color=lightyellow shape=box style=filled]
	242 -> "405 | CO" [label=""]
	"406 | O=C(O)C1NCSC=C1CO" [color=lightgrey shape=box style=filled]
	242 -> "406 | O=C(O)C1NCSC=C1CO" [label=""]
	"407 | CO" [color=lightyellow shape=box style=filled]
	243 -> "407 | CO" [label=""]
	"408 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	243 -> "408 | O=C(O)C1C=CSCN1" [label=""]
	"409 | CO" [color=lightyellow shape=box style=filled]
	244 -> "409 | CO" [label=""]
	"410 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	244 -> "410 | O=C(O)C1C=CSCN1" [label=""]
	"411 | CI" [color=lightyellow shape=box style=filled]
	244 -> "411 | CI" [label=""]
	"412 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	245 -> "412 | CC1=CSCNC1C(=O)O" [label=""]
	"413 | CO" [color=lightyellow shape=box style=filled]
	245 -> "413 | CO" [label=""]
	"414 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	245 -> "414 | O=C1CCC(=O)N1Br" [label=""]
	"415 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	246 -> "415 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"416 | O=C=O" [color=lightyellow shape=box style=filled]
	246 -> "416 | O=C=O" [label=""]
	"417 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	247 -> "417 | NC(=O)C(=O)O" [label=""]
	"418 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	247 -> "418 | O=C(O)C1C=CSCN1" [label=""]
	"419 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	248 -> "419 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"420 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	248 -> "420 | CC(C)(C)OC(N)=O" [label=""]
	"421 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	249 -> "421 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"422 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	250 -> "422 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"423 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" [color=lightgrey shape=box style=filled]
	251 -> "423 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" [label=""]
	"424 | N" [color=lightyellow shape=box style=filled]
	252 -> "424 | N" [label=""]
	"425 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	252 -> "425 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"426 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	253 -> "426 | O=C(O)C1C=CSCN1" [label=""]
	"427 | NC(Br)C(=O)O" [color=lightgrey shape=box style=filled]
	253 -> "427 | NC(Br)C(=O)O" [label=""]
	"428 | N" [color=lightyellow shape=box style=filled]
	254 -> "428 | N" [label=""]
	"429 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	254 -> "429 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"430 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	255 -> "430 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"431 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	256 -> "431 | O=C1CCC(=O)N1Br" [label=""]
	"432 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	256 -> "432 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [label=""]
	"433 | O=C=O" [color=lightyellow shape=box style=filled]
	257 -> "433 | O=C=O" [label=""]
	"434 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [color=lightgrey shape=box style=filled]
	257 -> "434 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [label=""]
	"435 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	258 -> "435 | O=C(O)C1NCSC=C1CBr" [label=""]
	"436 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	258 -> "436 | NC(=O)C(=O)O" [label=""]
	"437 | BrCBr" [color=lightyellow shape=box style=filled]
	259 -> "437 | BrCBr" [label=""]
	"438 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	259 -> "438 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"439 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	260 -> "439 | NCC(=O)O" [label=""]
	"440 | O=C(O)C1NCSC=C1C(Br)Br" [color=lightgrey shape=box style=filled]
	260 -> "440 | O=C(O)C1NCSC=C1C(Br)Br" [label=""]
	"441 | N" [color=lightyellow shape=box style=filled]
	261 -> "441 | N" [label=""]
	"442 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	261 -> "442 | O=C(O)C1NCSC=C1CBr" [label=""]
	"443 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	261 -> "443 | O=CC(=O)O" [label=""]
	"444 | BrCBr" [color=lightyellow shape=box style=filled]
	262 -> "444 | BrCBr" [label=""]
	"445 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	262 -> "445 | O=C(O)C1C=CSCN1" [label=""]
	"446 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	262 -> "446 | NCC(=O)O" [label=""]
	"447 | O=C(O)C1[C]=CS[CH]N1" [color=lightgrey shape=box style=filled]
	263 -> "447 | O=C(O)C1[C]=CS[CH]N1" [label=""]
	"448 | N[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	263 -> "448 | N[CH]C(=O)O" [label=""]
	"449 | [CH2]Br" [color=lightgrey shape=box style=filled]
	263 -> "449 | [CH2]Br" [label=""]
	"450 | CBr" [color=lightyellow shape=box style=filled]
	264 -> "450 | CBr" [label=""]
	"451 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	264 -> "451 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"452 | CO" [color=lightyellow shape=box style=filled]
	265 -> "452 | CO" [label=""]
	"453 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [color=lightgrey shape=box style=filled]
	265 -> "453 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [label=""]
	"454 | COCBr" [color=lightyellow shape=box style=filled]
	266 -> "454 | COCBr" [label=""]
	"455 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	266 -> "455 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"456 | COCC1=CSCN=C1" [color=lightgrey shape=box style=filled]
	267 -> "456 | COCC1=CSCN=C1" [label=""]
	"457 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	267 -> "457 | NCC(=O)O" [label=""]
	"458 | COCC1=C(Br)SCNC1" [color=lightgrey shape=box style=filled]
	268 -> "458 | COCC1=C(Br)SCNC1" [label=""]
	"459 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	268 -> "459 | NCC(=O)O" [label=""]
	"460 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	269 -> "460 | NC(=O)C(=O)O" [label=""]
	"461 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	269 -> "461 | COCC1=CSCNC1" [label=""]
	"462 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	270 -> "462 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"463 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	270 -> "463 | COCC1=CSCNC1" [label=""]
	"464 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	271 -> "464 | COCC1=CSCNC1" [label=""]
	"465 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	271 -> "465 | NCC(=O)O" [label=""]
	"466 | COCC1=CSCN=C1" [color=lightgrey shape=box style=filled]
	272 -> "466 | COCC1=CSCN=C1" [label=""]
	"467 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	272 -> "467 | NC(=O)C(=O)O" [label=""]
	"468 | COCC1=CS[C@H](CC(=O)O)NC1" [color=lightgrey shape=box style=filled]
	273 -> "468 | COCC1=CS[C@H](CC(=O)O)NC1" [label=""]
	"469 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	273 -> "469 | CC(C)(C)OC(N)=O" [label=""]
	"470 | COCC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1" [color=lightgrey shape=box style=filled]
	274 -> "470 | COCC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1" [label=""]
	"471 | N" [color=lightyellow shape=box style=filled]
	275 -> "471 | N" [label=""]
	"472 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	275 -> "472 | O=CC(=O)O" [label=""]
	"473 | O=C(O)CBr" [color=lightyellow shape=box style=filled]
	276 -> "473 | O=C(O)CBr" [label=""]
	"474 | N" [color=lightyellow shape=box style=filled]
	276 -> "474 | N" [label=""]
	"475 | CC(=O)O" [color=lightyellow shape=box style=filled]
	277 -> "475 | CC(=O)O" [label=""]
	"476 | N=O" [color=lightgrey shape=box style=filled]
	277 -> "476 | N=O" [label=""]
	"477 | N" [color=lightyellow shape=box style=filled]
	278 -> "477 | N" [label=""]
	"478 | O=C(O)CCl" [color=lightgrey shape=box style=filled]
	278 -> "478 | O=C(O)CCl" [label=""]
	"479 | N" [color=lightyellow shape=box style=filled]
	279 -> "479 | N" [label=""]
	"480 | O=C(O)CO" [color=lightyellow shape=box style=filled]
	279 -> "480 | O=C(O)CO" [label=""]
	"481 | N#CC(=O)O" [color=lightgrey shape=box style=filled]
	280 -> "481 | N#CC(=O)O" [label=""]
	"482 | N=O" [color=lightgrey shape=box style=filled]
	281 -> "482 | N=O" [label=""]
	"483 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	281 -> "483 | O=CC(=O)O" [label=""]
	"484 | N=O" [color=lightgrey shape=box style=filled]
	282 -> "484 | N=O" [label=""]
	"485 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	282 -> "485 | O=CC(=O)O" [label=""]
	"486 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	283 -> "486 | NC(=O)C(=O)O" [label=""]
	"487 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	284 -> "487 | NCC(=O)O" [label=""]
	"488 | CO" [color=lightyellow shape=box style=filled]
	285 -> "488 | CO" [label=""]
	"489 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	285 -> "489 | O=C(O)C1NCSC=C1CBr" [label=""]
	"490 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	286 -> "490 | COCC1=CSCNC1" [label=""]
	"491 | O=C=O" [color=lightyellow shape=box style=filled]
	286 -> "491 | O=C=O" [label=""]
	"492 | COCBr" [color=lightyellow shape=box style=filled]
	287 -> "492 | COCBr" [label=""]
	"493 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	287 -> "493 | O=C(O)C1C=CSCN1" [label=""]
	"494 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	288 -> "494 | CC1=CSCNC1C(=O)O" [label=""]
	"495 | C=CO" [color=lightgrey shape=box style=filled]
	288 -> "495 | C=CO" [label=""]
	"496 | O=CO" [color=lightyellow shape=box style=filled]
	289 -> "496 | O=CO" [label=""]
	"497 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	289 -> "497 | O=C(O)C1NCSC=C1CBr" [label=""]
	"498 | CO" [color=lightyellow shape=box style=filled]
	290 -> "498 | CO" [label=""]
	"499 | O=CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	290 -> "499 | O=CC1=CSCNC1C(=O)O" [label=""]
	"500 | CO" [color=lightyellow shape=box style=filled]
	291 -> "500 | CO" [label=""]
	"501 | O=C(O)C1NCSC=C1CO" [color=lightgrey shape=box style=filled]
	291 -> "501 | O=C(O)C1NCSC=C1CO" [label=""]
	"502 | CO" [color=lightyellow shape=box style=filled]
	292 -> "502 | CO" [label=""]
	"503 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	292 -> "503 | O=C(O)C1C=CSCN1" [label=""]
	"504 | CO" [color=lightyellow shape=box style=filled]
	293 -> "504 | CO" [label=""]
	"505 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	293 -> "505 | O=C(O)C1C=CSCN1" [label=""]
	"506 | CI" [color=lightyellow shape=box style=filled]
	293 -> "506 | CI" [label=""]
	"507 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	294 -> "507 | CC1=CSCNC1C(=O)O" [label=""]
	"508 | CO" [color=lightyellow shape=box style=filled]
	294 -> "508 | CO" [label=""]
	"509 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	294 -> "509 | O=C1CCC(=O)N1Br" [label=""]
	"510 | CO" [color=lightyellow shape=box style=filled]
	295 -> "510 | CO" [label=""]
	"511 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	295 -> "511 | O=C(O)C1NCSC=C1CBr" [label=""]
	"512 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	296 -> "512 | COCC1=CSCNC1" [label=""]
	"513 | O=C=O" [color=lightyellow shape=box style=filled]
	296 -> "513 | O=C=O" [label=""]
	"514 | COCBr" [color=lightyellow shape=box style=filled]
	297 -> "514 | COCBr" [label=""]
	"515 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	297 -> "515 | O=C(O)C1C=CSCN1" [label=""]
	"516 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	298 -> "516 | CC1=CSCNC1C(=O)O" [label=""]
	"517 | C=CO" [color=lightgrey shape=box style=filled]
	298 -> "517 | C=CO" [label=""]
	"518 | O=CO" [color=lightyellow shape=box style=filled]
	299 -> "518 | O=CO" [label=""]
	"519 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	299 -> "519 | O=C(O)C1NCSC=C1CBr" [label=""]
	"520 | CO" [color=lightyellow shape=box style=filled]
	300 -> "520 | CO" [label=""]
	"521 | O=CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	300 -> "521 | O=CC1=CSCNC1C(=O)O" [label=""]
	"522 | CO" [color=lightyellow shape=box style=filled]
	301 -> "522 | CO" [label=""]
	"523 | O=C(O)C1NCSC=C1CO" [color=lightgrey shape=box style=filled]
	301 -> "523 | O=C(O)C1NCSC=C1CO" [label=""]
	"524 | CO" [color=lightyellow shape=box style=filled]
	302 -> "524 | CO" [label=""]
	"525 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	302 -> "525 | O=C(O)C1C=CSCN1" [label=""]
	"526 | CO" [color=lightyellow shape=box style=filled]
	303 -> "526 | CO" [label=""]
	"527 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	303 -> "527 | O=C(O)C1C=CSCN1" [label=""]
	"528 | CI" [color=lightyellow shape=box style=filled]
	303 -> "528 | CI" [label=""]
	"529 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	304 -> "529 | CC1=CSCNC1C(=O)O" [label=""]
	"530 | CO" [color=lightyellow shape=box style=filled]
	304 -> "530 | CO" [label=""]
	"531 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	304 -> "531 | O=C1CCC(=O)N1Br" [label=""]
	"532 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	305 -> "532 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"533 | CC1=CSC=NC1C(=O)O" [color=lightgrey shape=box style=filled]
	305 -> "533 | CC1=CSC=NC1C(=O)O" [label=""]
	"534 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1" [color=lightgrey shape=box style=filled]
	306 -> "534 | CC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1" [label=""]
	"535 | O=C=O" [color=lightyellow shape=box style=filled]
	306 -> "535 | O=C=O" [label=""]
	"536 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	307 -> "536 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"537 | CC1=CSC(=O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	307 -> "537 | CC1=CSC(=O)NC1C(=O)O" [label=""]
	"538 | O=C=O" [color=lightyellow shape=box style=filled]
	308 -> "538 | O=C=O" [label=""]
	"539 | CC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	308 -> "539 | CC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [label=""]
	"540 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	309 -> "540 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"541 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	309 -> "541 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [label=""]
	"542 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	310 -> "542 | CC1=CSCNC1C(=O)O" [label=""]
	"543 | CC(C)(C)OC(=O)N=CC(=O)O" [color=lightgrey shape=box style=filled]
	310 -> "543 | CC(C)(C)OC(=O)N=CC(=O)O" [label=""]
	"544 | [CH]C(NC(=O)OC(C)(C)C)C(=O)O" [color=lightgrey shape=box style=filled]
	311 -> "544 | [CH]C(NC(=O)OC(C)(C)C)C(=O)O" [label=""]
	"545 | CC(=C[S])C([NH])C(=O)O" [color=lightgrey shape=box style=filled]
	311 -> "545 | CC(=C[S])C([NH])C(=O)O" [label=""]
	"546 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	312 -> "546 | CC1=CSCNC1C(=O)O" [label=""]
	"547 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	312 -> "547 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"548 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	312 -> "548 | NCC(=O)O" [label=""]
	"549 | CC(CS)C(NCC(NC(=O)OC(C)(C)C)C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	313 -> "549 | CC(CS)C(NCC(NC(=O)OC(C)(C)C)C(=O)O)C(=O)O" [label=""]
	"550 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	314 -> "550 | CC1=CSCNC1C(=O)O" [label=""]
	"551 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	314 -> "551 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"552 | CO" [color=lightyellow shape=box style=filled]
	315 -> "552 | CO" [label=""]
	"553 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	315 -> "553 | O=C(O)C1NCSC=C1CBr" [label=""]
	"554 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	316 -> "554 | COCC1=CSCNC1" [label=""]
	"555 | O=C=O" [color=lightyellow shape=box style=filled]
	316 -> "555 | O=C=O" [label=""]
	"556 | COCBr" [color=lightyellow shape=box style=filled]
	317 -> "556 | COCBr" [label=""]
	"557 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	317 -> "557 | O=C(O)C1C=CSCN1" [label=""]
	"558 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	318 -> "558 | CC1=CSCNC1C(=O)O" [label=""]
	"559 | C=CO" [color=lightgrey shape=box style=filled]
	318 -> "559 | C=CO" [label=""]
	"560 | O=CO" [color=lightyellow shape=box style=filled]
	319 -> "560 | O=CO" [label=""]
	"561 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	319 -> "561 | O=C(O)C1NCSC=C1CBr" [label=""]
	"562 | CO" [color=lightyellow shape=box style=filled]
	320 -> "562 | CO" [label=""]
	"563 | O=CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	320 -> "563 | O=CC1=CSCNC1C(=O)O" [label=""]
	"564 | CO" [color=lightyellow shape=box style=filled]
	321 -> "564 | CO" [label=""]
	"565 | O=C(O)C1NCSC=C1CO" [color=lightgrey shape=box style=filled]
	321 -> "565 | O=C(O)C1NCSC=C1CO" [label=""]
	"566 | CO" [color=lightyellow shape=box style=filled]
	322 -> "566 | CO" [label=""]
	"567 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	322 -> "567 | O=C(O)C1C=CSCN1" [label=""]
	"568 | CO" [color=lightyellow shape=box style=filled]
	323 -> "568 | CO" [label=""]
	"569 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	323 -> "569 | O=C(O)C1C=CSCN1" [label=""]
	"570 | CI" [color=lightyellow shape=box style=filled]
	323 -> "570 | CI" [label=""]
	"571 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	324 -> "571 | CC1=CSCNC1C(=O)O" [label=""]
	"572 | CO" [color=lightyellow shape=box style=filled]
	324 -> "572 | CO" [label=""]
	"573 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	324 -> "573 | O=C1CCC(=O)N1Br" [label=""]
	"574 | O=C(O)C1NCSC=C1CO" [color=lightgrey shape=box style=filled]
	325 -> "574 | O=C(O)C1NCSC=C1CO" [label=""]
	"575 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	325 -> "575 | NC(=O)C(=O)O" [label=""]
	"576 | NC(C(=O)O)[C@@H]1NCC(CO)=CS1" [color=lightgrey shape=box style=filled]
	326 -> "576 | NC(C(=O)O)[C@@H]1NCC(CO)=CS1" [label=""]
	"577 | O=C=O" [color=lightyellow shape=box style=filled]
	326 -> "577 | O=C=O" [label=""]
	"578 | C=O" [color=lightyellow shape=box style=filled]
	327 -> "578 | C=O" [label=""]
	"579 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	327 -> "579 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"580 | CC(C)(C)OC(=O)NC(CNC(C(=O)O)C(=CS)CO)C(=O)O" [color=lightgrey shape=box style=filled]
	328 -> "580 | CC(C)(C)OC(=O)NC(CNC(C(=O)O)C(=CS)CO)C(=O)O" [label=""]
	"581 | CC(C)(C)OC(=O)C(O)C1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	329 -> "581 | CC(C)(C)OC(=O)C(O)C1=CSCNC1C(=O)O" [label=""]
	"582 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	329 -> "582 | NCC(=O)O" [label=""]
	"583 | O=C(O)C1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	330 -> "583 | O=C(O)C1=CSCNC1C(=O)O" [label=""]
	"584 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	330 -> "584 | NCC(=O)O" [label=""]
	"585 | O=CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	331 -> "585 | O=CC1=CSCNC1C(=O)O" [label=""]
	"586 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	331 -> "586 | NCC(=O)O" [label=""]
	"587 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	332 -> "587 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"588 | O=C(O)C1NCSC=C1CO" [color=lightgrey shape=box style=filled]
	332 -> "588 | O=C(O)C1NCSC=C1CO" [label=""]
	"589 | O=C(O)C1N[C@@H](C(N[O-])C(=O)O)SC=C1CO" [color=lightgrey shape=box style=filled]
	333 -> "589 | O=C(O)C1N[C@@H](C(N[O-])C(=O)O)SC=C1CO" [label=""]
	"590 | O=CO" [color=lightyellow shape=box style=filled]
	334 -> "590 | O=CO" [label=""]
	"591 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	334 -> "591 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"592 | CO" [color=lightyellow shape=box style=filled]
	335 -> "592 | CO" [label=""]
	"593 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	335 -> "593 | O=C(O)C1NCSC=C1CBr" [label=""]
	"594 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	336 -> "594 | COCC1=CSCNC1" [label=""]
	"595 | O=C=O" [color=lightyellow shape=box style=filled]
	336 -> "595 | O=C=O" [label=""]
	"596 | COCBr" [color=lightyellow shape=box style=filled]
	337 -> "596 | COCBr" [label=""]
	"597 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	337 -> "597 | O=C(O)C1C=CSCN1" [label=""]
	"598 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	338 -> "598 | CC1=CSCNC1C(=O)O" [label=""]
	"599 | C=CO" [color=lightgrey shape=box style=filled]
	338 -> "599 | C=CO" [label=""]
	"600 | O=CO" [color=lightyellow shape=box style=filled]
	339 -> "600 | O=CO" [label=""]
	"601 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	339 -> "601 | O=C(O)C1NCSC=C1CBr" [label=""]
	"602 | CO" [color=lightyellow shape=box style=filled]
	340 -> "602 | CO" [label=""]
	"603 | O=CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	340 -> "603 | O=CC1=CSCNC1C(=O)O" [label=""]
	"604 | CO" [color=lightyellow shape=box style=filled]
	341 -> "604 | CO" [label=""]
	"605 | O=C(O)C1NCSC=C1CO" [color=lightgrey shape=box style=filled]
	341 -> "605 | O=C(O)C1NCSC=C1CO" [label=""]
	"606 | CO" [color=lightyellow shape=box style=filled]
	342 -> "606 | CO" [label=""]
	"607 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	342 -> "607 | O=C(O)C1C=CSCN1" [label=""]
	"608 | CO" [color=lightyellow shape=box style=filled]
	343 -> "608 | CO" [label=""]
	"609 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	343 -> "609 | O=C(O)C1C=CSCN1" [label=""]
	"610 | CI" [color=lightyellow shape=box style=filled]
	343 -> "610 | CI" [label=""]
	"611 | CC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	344 -> "611 | CC1=CSCNC1C(=O)O" [label=""]
	"612 | CO" [color=lightyellow shape=box style=filled]
	344 -> "612 | CO" [label=""]
	"613 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	344 -> "613 | O=C1CCC(=O)N1Br" [label=""]
	"614 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	345 -> "614 | O=C1CCC(=O)N1Br" [label=""]
	"615 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [color=lightgrey shape=box style=filled]
	345 -> "615 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"616 | N[Cl+]Br" [color=lightgrey shape=box style=filled]
	346 -> "616 | N[Cl+]Br" [label=""]
	"617 | CCOC(=O)C(=O)[C@@H]1NCC(C(=O)Br)=CS1" [color=lightgrey shape=box style=filled]
	346 -> "617 | CCOC(=O)C(=O)[C@@H]1NCC(C(=O)Br)=CS1" [label=""]
	"618 | COCC1=CS[C@H](CC(=O)O)NC1" [color=lightgrey shape=box style=filled]
	347 -> "618 | COCC1=CS[C@H](CC(=O)O)NC1" [label=""]
	"619 | CO" [color=lightyellow shape=box style=filled]
	348 -> "619 | CO" [label=""]
	"620 | O=C1C[C@H]2SC=C(CBr)CN12" [color=lightgrey shape=box style=filled]
	348 -> "620 | O=C1C[C@H]2SC=C(CBr)CN12" [label=""]
	"621 | COCBr" [color=lightyellow shape=box style=filled]
	349 -> "621 | COCBr" [label=""]
	"622 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	349 -> "622 | O=C1C[C@H]2SC=CCN12" [label=""]
	"623 | CCOC(=O)C[C@@H]1NCC(COC)=CS1" [color=lightgrey shape=box style=filled]
	350 -> "623 | CCOC(=O)C[C@@H]1NCC(COC)=CS1" [label=""]
	"624 | CO" [color=lightyellow shape=box style=filled]
	351 -> "624 | CO" [label=""]
	"625 | O=C1C[C@H]2SC=C(CCl)CN12" [color=lightgrey shape=box style=filled]
	351 -> "625 | O=C1C[C@H]2SC=C(CCl)CN12" [label=""]
	"626 | COC" [color=lightyellow shape=box style=filled]
	352 -> "626 | COC" [label=""]
	"627 | O=C1C[C@H]2SC=C(Br)CN12" [color=lightgrey shape=box style=filled]
	352 -> "627 | O=C1C[C@H]2SC=C(Br)CN12" [label=""]
	"628 | CO" [color=lightyellow shape=box style=filled]
	353 -> "628 | CO" [label=""]
	"629 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	353 -> "629 | O=C1C[C@H]2SC=CCN12" [label=""]
	"630 | CO" [color=lightyellow shape=box style=filled]
	354 -> "630 | CO" [label=""]
	"631 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	354 -> "631 | O=C1C[C@H]2SC=CCN12" [label=""]
	"632 | CI" [color=lightyellow shape=box style=filled]
	354 -> "632 | CI" [label=""]
	"633 | O=CC1=CS[C@@H]2CC(=O)N2C1" [color=lightgrey shape=box style=filled]
	355 -> "633 | O=CC1=CS[C@@H]2CC(=O)N2C1" [label=""]
	"634 | CO" [color=lightyellow shape=box style=filled]
	355 -> "634 | CO" [label=""]
	"635 | COCCl" [color=lightgrey shape=box style=filled]
	356 -> "635 | COCCl" [label=""]
	"636 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	356 -> "636 | O=C1C[C@H]2SC=CCN12" [label=""]
	"637 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	357 -> "637 | O=C1C[C@H]2SC=CCN12" [label=""]
	"638 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	357 -> "638 | CC(C)(C)OC(N)=O" [label=""]
	"639 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	358 -> "639 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"640 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	359 -> "640 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"641 | NC[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	360 -> "641 | NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"642 | N" [color=lightyellow shape=box style=filled]
	361 -> "642 | N" [label=""]
	"643 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	361 -> "643 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"644 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	362 -> "644 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"645 | NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	363 -> "645 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"646 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	364 -> "646 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [label=""]
	"647 | O=NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	365 -> "647 | O=NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"648 | O=CO" [color=lightyellow shape=box style=filled]
	366 -> "648 | O=CO" [label=""]
	"649 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	366 -> "649 | NC[C@@H]1NCC=CS1" [label=""]
	"650 | NC(C(=O)O)[C@@H]1NCC(CO)=CS1" [color=lightgrey shape=box style=filled]
	367 -> "650 | NC(C(=O)O)[C@@H]1NCC(CO)=CS1" [label=""]
	"651 | NC1C(=O)N2CC(C(=O)O)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	368 -> "651 | NC1C(=O)N2CC(C(=O)O)=CS[C@H]12" [label=""]
	"652 | O=C1C[C@H]2SC=C(CO)CN12" [color=lightgrey shape=box style=filled]
	369 -> "652 | O=C1C[C@H]2SC=C(CO)CN12" [label=""]
	"653 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	369 -> "653 | CC(C)(C)OC(N)=O" [label=""]
	"654 | NC[C@H]1SC=C(CO)CN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	370 -> "654 | NC[C@H]1SC=C(CO)CN1C(=O)Cl" [label=""]
	"655 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	371 -> "655 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"656 | C=O" [color=lightyellow shape=box style=filled]
	371 -> "656 | C=O" [label=""]
	"657 | O=CO" [color=lightyellow shape=box style=filled]
	372 -> "657 | O=CO" [label=""]
	"658 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	372 -> "658 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"659 | O=CO" [color=lightyellow shape=box style=filled]
	373 -> "659 | O=CO" [label=""]
	"660 | NC[C@@H]1NCC(CO)=CS1" [color=lightgrey shape=box style=filled]
	373 -> "660 | NC[C@@H]1NCC(CO)=CS1" [label=""]
	"661 | CC(C)(C)OC(=O)NC[C@H]1SC=C(CO)CN1C=O" [color=lightgrey shape=box style=filled]
	374 -> "661 | CC(C)(C)OC(=O)NC[C@H]1SC=C(CO)CN1C=O" [label=""]
	"662 | CCOC(=O)C(N)[C@@H]1NCC(CO)=CS1" [color=lightgrey shape=box style=filled]
	375 -> "662 | CCOC(=O)C(N)[C@@H]1NCC(CO)=CS1" [label=""]
	"663 | CCOC(=O)C(N)[C@@H]1NCC(C(=O)O)=CS1" [color=lightgrey shape=box style=filled]
	376 -> "663 | CCOC(=O)C(N)[C@@H]1NCC(C(=O)O)=CS1" [label=""]
	"664 | CO" [color=lightyellow shape=box style=filled]
	377 -> "664 | CO" [label=""]
	"665 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [color=lightgrey shape=box style=filled]
	377 -> "665 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [label=""]
	"666 | COCBr" [color=lightyellow shape=box style=filled]
	378 -> "666 | COCBr" [label=""]
	"667 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	378 -> "667 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"668 | COCC1=CSCN=C1" [color=lightgrey shape=box style=filled]
	379 -> "668 | COCC1=CSCN=C1" [label=""]
	"669 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	379 -> "669 | NCC(=O)O" [label=""]
	"670 | COCC1=C(Br)SCNC1" [color=lightgrey shape=box style=filled]
	380 -> "670 | COCC1=C(Br)SCNC1" [label=""]
	"671 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	380 -> "671 | NCC(=O)O" [label=""]
	"672 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	381 -> "672 | NC(=O)C(=O)O" [label=""]
	"673 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	381 -> "673 | COCC1=CSCNC1" [label=""]
	"674 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	382 -> "674 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"675 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	382 -> "675 | COCC1=CSCNC1" [label=""]
	"676 | COCC1=CSCNC1" [color=lightgrey shape=box style=filled]
	383 -> "676 | COCC1=CSCNC1" [label=""]
	"677 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	383 -> "677 | NCC(=O)O" [label=""]
	"678 | COCC1=CSCN=C1" [color=lightgrey shape=box style=filled]
	384 -> "678 | COCC1=CSCN=C1" [label=""]
	"679 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	384 -> "679 | NC(=O)C(=O)O" [label=""]
	"680 | COCC1=CS[C@H](CC(=O)O)NC1" [color=lightgrey shape=box style=filled]
	385 -> "680 | COCC1=CS[C@H](CC(=O)O)NC1" [label=""]
	"681 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	385 -> "681 | CC(C)(C)OC(N)=O" [label=""]
	"682 | COCC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1" [color=lightgrey shape=box style=filled]
	386 -> "682 | COCC1=CS[C@H](C(NC(=O)OC(C)(C)C)C(=O)O)NC1" [label=""]
	"683 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	387 -> "683 | O=C1C[C@H]2SC=CCN12" [label=""]
	"684 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	387 -> "684 | CC(C)(C)OC(N)=O" [label=""]
	"685 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	388 -> "685 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"686 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	389 -> "686 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"687 | NC[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	390 -> "687 | NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"688 | N" [color=lightyellow shape=box style=filled]
	391 -> "688 | N" [label=""]
	"689 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	391 -> "689 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"690 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	392 -> "690 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"691 | NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	393 -> "691 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"692 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	394 -> "692 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [label=""]
	"693 | O=NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	395 -> "693 | O=NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"694 | O=CO" [color=lightyellow shape=box style=filled]
	396 -> "694 | O=CO" [label=""]
	"695 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	396 -> "695 | NC[C@@H]1NCC=CS1" [label=""]
	"696 | COC" [color=lightyellow shape=box style=filled]
	397 -> "696 | COC" [label=""]
	"697 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	397 -> "697 | ClC(Cl)(Cl)Cl" [label=""]
	"698 | COC" [color=lightyellow shape=box style=filled]
	398 -> "698 | COC" [label=""]
	"699 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	398 -> "699 | O=C1CCC(=O)N1Cl" [label=""]
	"700 | COCBr" [color=lightyellow shape=box style=filled]
	399 -> "700 | COCBr" [label=""]
	"701 | Cl" [color=lightyellow shape=box style=filled]
	399 -> "701 | Cl" [label=""]
	"702 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	400 -> "702 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"703 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	400 -> "703 | O=C1CCC(=O)N1Br" [label=""]
	"704 | O=C1C[C@H]2SC=C(Br)CN12" [color=lightgrey shape=box style=filled]
	401 -> "704 | O=C1C[C@H]2SC=C(Br)CN12" [label=""]
	"705 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	401 -> "705 | CC(C)(C)OC(N)=O" [label=""]
	"706 | NC(C(=O)O)[C@@H]1NCC(Br)=CS1" [color=lightgrey shape=box style=filled]
	402 -> "706 | NC(C(=O)O)[C@@H]1NCC(Br)=CS1" [label=""]
	"707 | CC(C)(C)OC(=O)NC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	403 -> "707 | CC(C)(C)OC(=O)NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"708 | CS[C@@H]1C(N)C(=O)N1CC(Br)Br" [color=lightgrey shape=box style=filled]
	404 -> "708 | CS[C@@H]1C(N)C(=O)N1CC(Br)Br" [label=""]
	"709 | CS[C@@H]1C(N)C(=O)N1CC(Cl)Br" [color=lightgrey shape=box style=filled]
	405 -> "709 | CS[C@@H]1C(N)C(=O)N1CC(Cl)Br" [label=""]
	"710 | O=C1C(N[O-])[C@H]2SC=C(Br)CN12" [color=lightgrey shape=box style=filled]
	406 -> "710 | O=C1C(N[O-])[C@H]2SC=C(Br)CN12" [label=""]
	"711 | O=NC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	407 -> "711 | O=NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"712 | CNC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	408 -> "712 | CNC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"713 | [N]C1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	409 -> "713 | [N]C1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"714 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	410 -> "714 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"715 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	410 -> "715 | CN(C)C=O" [label=""]
	"716 | O=CC1=CS[C@@H]2CC(=O)N2C1" [color=lightgrey shape=box style=filled]
	411 -> "716 | O=CC1=CS[C@@H]2CC(=O)N2C1" [label=""]
	"717 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	411 -> "717 | CC(C)(C)OC(N)=O" [label=""]
	"718 | O=CO" [color=lightyellow shape=box style=filled]
	412 -> "718 | O=CO" [label=""]
	"719 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	412 -> "719 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"720 | NC(C(=O)O)[C@@H]1NCC(C=O)=CS1" [color=lightgrey shape=box style=filled]
	413 -> "720 | NC(C(=O)O)[C@@H]1NCC(C=O)=CS1" [label=""]
	"721 | CC(C)(C)OC(=O)NC1C(=O)N2CC(C=O)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	414 -> "721 | CC(C)(C)OC(=O)NC1C(=O)N2CC(C=O)=CS[C@H]12" [label=""]
	"722 | CS[C@@H]1C(N)C(=O)N1CC(=O)C=O" [color=lightgrey shape=box style=filled]
	415 -> "722 | CS[C@@H]1C(N)C(=O)N1CC(=O)C=O" [label=""]
	"723 | NC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	416 -> "723 | NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"724 | C=O" [color=lightyellow shape=box style=filled]
	416 -> "724 | C=O" [label=""]
	"725 | CS[C@@H]1C(N)C(=O)N1CC(Cl)C=O" [color=lightgrey shape=box style=filled]
	417 -> "725 | CS[C@@H]1C(N)C(=O)N1CC(Cl)C=O" [label=""]
	"726 | [CH]S[C@@H]1C(N)C(=O)N1[CH2]" [color=lightgrey shape=box style=filled]
	418 -> "726 | [CH]S[C@@H]1C(N)C(=O)N1[CH2]" [label=""]
	"727 | [C]C=O" [color=lightgrey shape=box style=filled]
	418 -> "727 | [C]C=O" [label=""]
	"728 | CS[C@@H]1C(N)C(=O)N1CC(Br)C=O" [color=lightgrey shape=box style=filled]
	419 -> "728 | CS[C@@H]1C(N)C(=O)N1CC(Br)C=O" [label=""]
	"729 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	420 -> "729 | O=C1CCC(=O)N1Cl" [label=""]
	"730 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [color=lightgrey shape=box style=filled]
	420 -> "730 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"731 | Cl" [color=lightyellow shape=box style=filled]
	421 -> "731 | Cl" [label=""]
	"732 | NC1C(=O)N2CC(CBr)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	421 -> "732 | NC1C(=O)N2CC(CBr)=CS[C@H]12" [label=""]
	"733 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	422 -> "733 | ClC(Cl)(Cl)Cl" [label=""]
	"734 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [color=lightgrey shape=box style=filled]
	422 -> "734 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"735 | ClCl" [color=lightyellow shape=box style=filled]
	423 -> "735 | ClCl" [label=""]
	"736 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [color=lightgrey shape=box style=filled]
	423 -> "736 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"737 | Cl" [color=lightyellow shape=box style=filled]
	424 -> "737 | Cl" [label=""]
	"738 | NC1C(=O)N2CC(C=O)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	424 -> "738 | NC1C(=O)N2CC(C=O)=CS[C@H]12" [label=""]
	"739 | O=C1C[C@H]2SC=C(CCl)CN12" [color=lightgrey shape=box style=filled]
	425 -> "739 | O=C1C[C@H]2SC=C(CCl)CN12" [label=""]
	"740 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	425 -> "740 | CC(C)(C)OC(N)=O" [label=""]
	"741 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	426 -> "741 | O=C1CCC(=O)N1Br" [label=""]
	"742 | Cl" [color=lightyellow shape=box style=filled]
	426 -> "742 | Cl" [label=""]
	"743 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [color=lightgrey shape=box style=filled]
	426 -> "743 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"744 | CCOC(=O)C(N)[C@@H]1NCC(C(=O)Cl)=CS1=O" [color=lightgrey shape=box style=filled]
	427 -> "744 | CCOC(=O)C(N)[C@@H]1NCC(C(=O)Cl)=CS1=O" [label=""]
	"745 | OO" [color=lightyellow shape=box style=filled]
	427 -> "745 | OO" [label=""]
	"746 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	427 -> "746 | O=C(O)c1cccc(Cl)c1" [label=""]
	"747 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	428 -> "747 | O=C1C[C@H]2SC=CCN12" [label=""]
	"748 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	428 -> "748 | CC(C)(C)OC(N)=O" [label=""]
	"749 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	429 -> "749 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"750 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	430 -> "750 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"751 | NC[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	431 -> "751 | NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"752 | N" [color=lightyellow shape=box style=filled]
	432 -> "752 | N" [label=""]
	"753 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	432 -> "753 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"754 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	433 -> "754 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"755 | NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	434 -> "755 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"756 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	435 -> "756 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [label=""]
	"757 | O=NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	436 -> "757 | O=NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"758 | O=CO" [color=lightyellow shape=box style=filled]
	437 -> "758 | O=CO" [label=""]
	"759 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	437 -> "759 | NC[C@@H]1NCC=CS1" [label=""]
	"760 | N" [color=lightyellow shape=box style=filled]
	438 -> "760 | N" [label=""]
	"761 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	438 -> "761 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"762 | COCBr" [color=lightyellow shape=box style=filled]
	439 -> "762 | COCBr" [label=""]
	"763 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	439 -> "763 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"764 | CO" [color=lightyellow shape=box style=filled]
	440 -> "764 | CO" [label=""]
	"765 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	440 -> "765 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"766 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	441 -> "766 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"767 | O=C=O" [color=lightyellow shape=box style=filled]
	441 -> "767 | O=C=O" [label=""]
	"768 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	442 -> "768 | COCC1=CSCNC1C(=O)O" [label=""]
	"769 | N=C=O" [color=lightgrey shape=box style=filled]
	442 -> "769 | N=C=O" [label=""]
	"770 | O=CO" [color=lightyellow shape=box style=filled]
	443 -> "770 | O=CO" [label=""]
	"771 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	443 -> "771 | COCC1=CSCNC1C(=O)O" [label=""]
	"772 | N" [color=lightyellow shape=box style=filled]
	443 -> "772 | N" [label=""]
	"773 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	444 -> "773 | COCC1=CSCNC1C(=O)O" [label=""]
	"774 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	444 -> "774 | NC(=O)Cl" [label=""]
	"775 | CO" [color=lightyellow shape=box style=filled]
	445 -> "775 | CO" [label=""]
	"776 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	445 -> "776 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"777 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	446 -> "777 | COCC1=CSCNC1C(=O)O" [label=""]
	"778 | NC(=O)O" [color=lightyellow shape=box style=filled]
	446 -> "778 | NC(=O)O" [label=""]
	"779 | COC" [color=lightyellow shape=box style=filled]
	447 -> "779 | COC" [label=""]
	"780 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	447 -> "780 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"781 | N" [color=lightyellow shape=box style=filled]
	448 -> "781 | N" [label=""]
	"782 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	448 -> "782 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"783 | COCBr" [color=lightyellow shape=box style=filled]
	449 -> "783 | COCBr" [label=""]
	"784 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	449 -> "784 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"785 | CO" [color=lightyellow shape=box style=filled]
	450 -> "785 | CO" [label=""]
	"786 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	450 -> "786 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"787 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	451 -> "787 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"788 | O=C=O" [color=lightyellow shape=box style=filled]
	451 -> "788 | O=C=O" [label=""]
	"789 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	452 -> "789 | COCC1=CSCNC1C(=O)O" [label=""]
	"790 | N=C=O" [color=lightgrey shape=box style=filled]
	452 -> "790 | N=C=O" [label=""]
	"791 | O=CO" [color=lightyellow shape=box style=filled]
	453 -> "791 | O=CO" [label=""]
	"792 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	453 -> "792 | COCC1=CSCNC1C(=O)O" [label=""]
	"793 | N" [color=lightyellow shape=box style=filled]
	453 -> "793 | N" [label=""]
	"794 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	454 -> "794 | COCC1=CSCNC1C(=O)O" [label=""]
	"795 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	454 -> "795 | NC(=O)Cl" [label=""]
	"796 | CO" [color=lightyellow shape=box style=filled]
	455 -> "796 | CO" [label=""]
	"797 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	455 -> "797 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"798 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	456 -> "798 | COCC1=CSCNC1C(=O)O" [label=""]
	"799 | NC(=O)O" [color=lightyellow shape=box style=filled]
	456 -> "799 | NC(=O)O" [label=""]
	"800 | COC" [color=lightyellow shape=box style=filled]
	457 -> "800 | COC" [label=""]
	"801 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	457 -> "801 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"802 | N" [color=lightyellow shape=box style=filled]
	458 -> "802 | N" [label=""]
	"803 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	458 -> "803 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"804 | COCBr" [color=lightyellow shape=box style=filled]
	459 -> "804 | COCBr" [label=""]
	"805 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	459 -> "805 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"806 | CO" [color=lightyellow shape=box style=filled]
	460 -> "806 | CO" [label=""]
	"807 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	460 -> "807 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"808 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	461 -> "808 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"809 | O=C=O" [color=lightyellow shape=box style=filled]
	461 -> "809 | O=C=O" [label=""]
	"810 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	462 -> "810 | COCC1=CSCNC1C(=O)O" [label=""]
	"811 | N=C=O" [color=lightgrey shape=box style=filled]
	462 -> "811 | N=C=O" [label=""]
	"812 | O=CO" [color=lightyellow shape=box style=filled]
	463 -> "812 | O=CO" [label=""]
	"813 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	463 -> "813 | COCC1=CSCNC1C(=O)O" [label=""]
	"814 | N" [color=lightyellow shape=box style=filled]
	463 -> "814 | N" [label=""]
	"815 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	464 -> "815 | COCC1=CSCNC1C(=O)O" [label=""]
	"816 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	464 -> "816 | NC(=O)Cl" [label=""]
	"817 | CO" [color=lightyellow shape=box style=filled]
	465 -> "817 | CO" [label=""]
	"818 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	465 -> "818 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"819 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	466 -> "819 | COCC1=CSCNC1C(=O)O" [label=""]
	"820 | NC(=O)O" [color=lightyellow shape=box style=filled]
	466 -> "820 | NC(=O)O" [label=""]
	"821 | COC" [color=lightyellow shape=box style=filled]
	467 -> "821 | COC" [label=""]
	"822 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	467 -> "822 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"823 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	468 -> "823 | O=C(Cl)Cl" [label=""]
	"824 | O=[C]Cl" [color=lightgrey shape=box style=filled]
	469 -> "824 | O=[C]Cl" [label=""]
	"825 | CCl" [color=lightyellow shape=box style=filled]
	470 -> "825 | CCl" [label=""]
	"826 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	470 -> "826 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"827 | N" [color=lightyellow shape=box style=filled]
	471 -> "827 | N" [label=""]
	"828 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	471 -> "828 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"829 | COCBr" [color=lightyellow shape=box style=filled]
	472 -> "829 | COCBr" [label=""]
	"830 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	472 -> "830 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"831 | CO" [color=lightyellow shape=box style=filled]
	473 -> "831 | CO" [label=""]
	"832 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	473 -> "832 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"833 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	474 -> "833 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"834 | O=C=O" [color=lightyellow shape=box style=filled]
	474 -> "834 | O=C=O" [label=""]
	"835 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	475 -> "835 | COCC1=CSCNC1C(=O)O" [label=""]
	"836 | N=C=O" [color=lightgrey shape=box style=filled]
	475 -> "836 | N=C=O" [label=""]
	"837 | O=CO" [color=lightyellow shape=box style=filled]
	476 -> "837 | O=CO" [label=""]
	"838 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	476 -> "838 | COCC1=CSCNC1C(=O)O" [label=""]
	"839 | N" [color=lightyellow shape=box style=filled]
	476 -> "839 | N" [label=""]
	"840 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	477 -> "840 | COCC1=CSCNC1C(=O)O" [label=""]
	"841 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	477 -> "841 | NC(=O)Cl" [label=""]
	"842 | CO" [color=lightyellow shape=box style=filled]
	478 -> "842 | CO" [label=""]
	"843 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	478 -> "843 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"844 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	479 -> "844 | COCC1=CSCNC1C(=O)O" [label=""]
	"845 | NC(=O)O" [color=lightyellow shape=box style=filled]
	479 -> "845 | NC(=O)O" [label=""]
	"846 | COC" [color=lightyellow shape=box style=filled]
	480 -> "846 | COC" [label=""]
	"847 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	480 -> "847 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"848 | N" [color=lightyellow shape=box style=filled]
	481 -> "848 | N" [label=""]
	"849 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	481 -> "849 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"850 | COCBr" [color=lightyellow shape=box style=filled]
	482 -> "850 | COCBr" [label=""]
	"851 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	482 -> "851 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"852 | CO" [color=lightyellow shape=box style=filled]
	483 -> "852 | CO" [label=""]
	"853 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	483 -> "853 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"854 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	484 -> "854 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"855 | O=C=O" [color=lightyellow shape=box style=filled]
	484 -> "855 | O=C=O" [label=""]
	"856 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	485 -> "856 | COCC1=CSCNC1C(=O)O" [label=""]
	"857 | N=C=O" [color=lightgrey shape=box style=filled]
	485 -> "857 | N=C=O" [label=""]
	"858 | O=CO" [color=lightyellow shape=box style=filled]
	486 -> "858 | O=CO" [label=""]
	"859 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	486 -> "859 | COCC1=CSCNC1C(=O)O" [label=""]
	"860 | N" [color=lightyellow shape=box style=filled]
	486 -> "860 | N" [label=""]
	"861 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	487 -> "861 | COCC1=CSCNC1C(=O)O" [label=""]
	"862 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	487 -> "862 | NC(=O)Cl" [label=""]
	"863 | CO" [color=lightyellow shape=box style=filled]
	488 -> "863 | CO" [label=""]
	"864 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	488 -> "864 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"865 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	489 -> "865 | COCC1=CSCNC1C(=O)O" [label=""]
	"866 | NC(=O)O" [color=lightyellow shape=box style=filled]
	489 -> "866 | NC(=O)O" [label=""]
	"867 | COC" [color=lightyellow shape=box style=filled]
	490 -> "867 | COC" [label=""]
	"868 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	490 -> "868 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"869 | O=CO" [color=lightyellow shape=box style=filled]
	491 -> "869 | O=CO" [label=""]
	"870 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	491 -> "870 | O=C(O)c1cccc(Cl)c1" [label=""]
	"871 | O=CO" [color=lightyellow shape=box style=filled]
	492 -> "871 | O=CO" [label=""]
	"872 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	492 -> "872 | O=C(O)c1cccc(Cl)c1" [label=""]
	"873 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	493 -> "873 | CN(C)C=O" [label=""]
	"874 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	493 -> "874 | O=C(O)c1cccc(Cl)c1" [label=""]
	"875 | O=C(Cl)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	494 -> "875 | O=C(Cl)c1cccc(Cl)c1" [label=""]
	"876 | O=CO" [color=lightyellow shape=box style=filled]
	494 -> "876 | O=CO" [label=""]
	"877 | O=CCl" [color=lightgrey shape=box style=filled]
	495 -> "877 | O=CCl" [label=""]
	"878 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	495 -> "878 | O=C(O)c1cccc(Cl)c1" [label=""]
	"879 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	496 -> "879 | O=C(O)c1cccc(Cl)c1" [label=""]
	"880 | CN(C)C(=O)O" [color=lightgrey shape=box style=filled]
	496 -> "880 | CN(C)C(=O)O" [label=""]
	"881 | O=C(Cl)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	497 -> "881 | O=C(Cl)c1cccc(Cl)c1" [label=""]
	"882 | CN(C)C(=O)O" [color=lightgrey shape=box style=filled]
	497 -> "882 | CN(C)C(=O)O" [label=""]
	"883 | O=C(Cl)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	498 -> "883 | O=C(Cl)c1cccc(Cl)c1" [label=""]
	"884 | [O]" [color=lightyellow shape=box style=filled]
	498 -> "884 | [O]" [label=""]
	"885 | OO" [color=lightyellow shape=box style=filled]
	498 -> "885 | OO" [label=""]
	"886 | O=C[O+]C(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	498 -> "886 | O=C[O+]C(=O)c1cccc(Cl)c1" [label=""]
	"887 | O=CO" [color=lightyellow shape=box style=filled]
	499 -> "887 | O=CO" [label=""]
	"888 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	499 -> "888 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"889 | O=CCl" [color=lightgrey shape=box style=filled]
	500 -> "889 | O=CCl" [label=""]
	"890 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	500 -> "890 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"891 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	501 -> "891 | CN(C)C=O" [label=""]
	"892 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	501 -> "892 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"893 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	502 -> "893 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"894 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	502 -> "894 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"895 | COCBr" [color=lightyellow shape=box style=filled]
	503 -> "895 | COCBr" [label=""]
	"896 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	503 -> "896 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [label=""]
	"897 | O=CN1C(C(=O)O)C(CBr)=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	504 -> "897 | O=CN1C(C(=O)O)C(CBr)=CS[C@@H]1C(=O)O" [label=""]
	"898 | CO" [color=lightyellow shape=box style=filled]
	504 -> "898 | CO" [label=""]
	"899 | CO" [color=lightyellow shape=box style=filled]
	505 -> "899 | CO" [label=""]
	"900 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	505 -> "900 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"901 | O=CO" [color=lightyellow shape=box style=filled]
	506 -> "901 | O=CO" [label=""]
	"902 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	506 -> "902 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"903 | O=CO" [color=lightyellow shape=box style=filled]
	507 -> "903 | O=CO" [label=""]
	"904 | O=C(O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	507 -> "904 | O=C(O)c1cccc(Cl)c1" [label=""]
	"905 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	507 -> "905 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"906 | CO" [color=lightyellow shape=box style=filled]
	508 -> "906 | CO" [label=""]
	"907 | CC1=CS[C@H](C(=O)O)N(C(=O)O)C1C(=O)O" [color=lightgrey shape=box style=filled]
	508 -> "907 | CC1=CS[C@H](C(=O)O)N(C(=O)O)C1C(=O)O" [label=""]
	"908 | N" [color=lightyellow shape=box style=filled]
	509 -> "908 | N" [label=""]
	"909 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	509 -> "909 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"910 | COCBr" [color=lightyellow shape=box style=filled]
	510 -> "910 | COCBr" [label=""]
	"911 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	510 -> "911 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"912 | CO" [color=lightyellow shape=box style=filled]
	511 -> "912 | CO" [label=""]
	"913 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	511 -> "913 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"914 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	512 -> "914 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"915 | O=C=O" [color=lightyellow shape=box style=filled]
	512 -> "915 | O=C=O" [label=""]
	"916 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	513 -> "916 | COCC1=CSCNC1C(=O)O" [label=""]
	"917 | N=C=O" [color=lightgrey shape=box style=filled]
	513 -> "917 | N=C=O" [label=""]
	"918 | O=CO" [color=lightyellow shape=box style=filled]
	514 -> "918 | O=CO" [label=""]
	"919 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	514 -> "919 | COCC1=CSCNC1C(=O)O" [label=""]
	"920 | N" [color=lightyellow shape=box style=filled]
	514 -> "920 | N" [label=""]
	"921 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	515 -> "921 | COCC1=CSCNC1C(=O)O" [label=""]
	"922 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	515 -> "922 | NC(=O)Cl" [label=""]
	"923 | CO" [color=lightyellow shape=box style=filled]
	516 -> "923 | CO" [label=""]
	"924 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	516 -> "924 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"925 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	517 -> "925 | COCC1=CSCNC1C(=O)O" [label=""]
	"926 | NC(=O)O" [color=lightyellow shape=box style=filled]
	517 -> "926 | NC(=O)O" [label=""]
	"927 | COC" [color=lightyellow shape=box style=filled]
	518 -> "927 | COC" [label=""]
	"928 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	518 -> "928 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"929 | O=CO" [color=lightyellow shape=box style=filled]
	519 -> "929 | O=CO" [label=""]
	"930 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	519 -> "930 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"931 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	520 -> "931 | CN(C)C=O" [label=""]
	"932 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	520 -> "932 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"933 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	521 -> "933 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"934 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	521 -> "934 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"935 | N" [color=lightyellow shape=box style=filled]
	522 -> "935 | N" [label=""]
	"936 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	522 -> "936 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [label=""]
	"937 | O=CO" [color=lightyellow shape=box style=filled]
	523 -> "937 | O=CO" [label=""]
	"938 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	523 -> "938 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"939 | CO" [color=lightyellow shape=box style=filled]
	524 -> "939 | CO" [label=""]
	"940 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	524 -> "940 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"941 | NC(=O)[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	525 -> "941 | NC(=O)[C@H]1SC=CCN1C=O" [label=""]
	"942 | O=C=O" [color=lightyellow shape=box style=filled]
	525 -> "942 | O=C=O" [label=""]
	"943 | O=CCl" [color=lightgrey shape=box style=filled]
	526 -> "943 | O=CCl" [label=""]
	"944 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	526 -> "944 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"945 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	527 -> "945 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"946 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	527 -> "946 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"947 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	528 -> "947 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"948 | C=CO" [color=lightgrey shape=box style=filled]
	528 -> "948 | C=CO" [label=""]
	"949 | N" [color=lightyellow shape=box style=filled]
	529 -> "949 | N" [label=""]
	"950 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	529 -> "950 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"951 | COCBr" [color=lightyellow shape=box style=filled]
	530 -> "951 | COCBr" [label=""]
	"952 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	530 -> "952 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"953 | CO" [color=lightyellow shape=box style=filled]
	531 -> "953 | CO" [label=""]
	"954 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	531 -> "954 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"955 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	532 -> "955 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"956 | O=C=O" [color=lightyellow shape=box style=filled]
	532 -> "956 | O=C=O" [label=""]
	"957 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	533 -> "957 | COCC1=CSCNC1C(=O)O" [label=""]
	"958 | N=C=O" [color=lightgrey shape=box style=filled]
	533 -> "958 | N=C=O" [label=""]
	"959 | O=CO" [color=lightyellow shape=box style=filled]
	534 -> "959 | O=CO" [label=""]
	"960 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	534 -> "960 | COCC1=CSCNC1C(=O)O" [label=""]
	"961 | N" [color=lightyellow shape=box style=filled]
	534 -> "961 | N" [label=""]
	"962 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	535 -> "962 | COCC1=CSCNC1C(=O)O" [label=""]
	"963 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	535 -> "963 | NC(=O)Cl" [label=""]
	"964 | CO" [color=lightyellow shape=box style=filled]
	536 -> "964 | CO" [label=""]
	"965 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	536 -> "965 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"966 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	537 -> "966 | COCC1=CSCNC1C(=O)O" [label=""]
	"967 | NC(=O)O" [color=lightyellow shape=box style=filled]
	537 -> "967 | NC(=O)O" [label=""]
	"968 | COC" [color=lightyellow shape=box style=filled]
	538 -> "968 | COC" [label=""]
	"969 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	538 -> "969 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"970 | N" [color=lightyellow shape=box style=filled]
	539 -> "970 | N" [label=""]
	"971 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	539 -> "971 | COCC1=CS[C@H](C(=O)O)NC1C(=O)O" [label=""]
	"972 | COCBr" [color=lightyellow shape=box style=filled]
	540 -> "972 | COCBr" [label=""]
	"973 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	540 -> "973 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"974 | CO" [color=lightyellow shape=box style=filled]
	541 -> "974 | CO" [label=""]
	"975 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	541 -> "975 | NC(=O)[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"976 | COCC1=CS[C@H](C(N)=O)NC1" [color=lightgrey shape=box style=filled]
	542 -> "976 | COCC1=CS[C@H](C(N)=O)NC1" [label=""]
	"977 | O=C=O" [color=lightyellow shape=box style=filled]
	542 -> "977 | O=C=O" [label=""]
	"978 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	543 -> "978 | COCC1=CSCNC1C(=O)O" [label=""]
	"979 | N=C=O" [color=lightgrey shape=box style=filled]
	543 -> "979 | N=C=O" [label=""]
	"980 | O=CO" [color=lightyellow shape=box style=filled]
	544 -> "980 | O=CO" [label=""]
	"981 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	544 -> "981 | COCC1=CSCNC1C(=O)O" [label=""]
	"982 | N" [color=lightyellow shape=box style=filled]
	544 -> "982 | N" [label=""]
	"983 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	545 -> "983 | COCC1=CSCNC1C(=O)O" [label=""]
	"984 | NC(=O)Cl" [color=lightgrey shape=box style=filled]
	545 -> "984 | NC(=O)Cl" [label=""]
	"985 | CO" [color=lightyellow shape=box style=filled]
	546 -> "985 | CO" [label=""]
	"986 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	546 -> "986 | NC(=O)[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"987 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	547 -> "987 | COCC1=CSCNC1C(=O)O" [label=""]
	"988 | NC(=O)O" [color=lightyellow shape=box style=filled]
	547 -> "988 | NC(=O)O" [label=""]
	"989 | COC" [color=lightyellow shape=box style=filled]
	548 -> "989 | COC" [label=""]
	"990 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	548 -> "990 | NC(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"991 | COCC1=CS[C@H](CN)NC1" [color=lightgrey shape=box style=filled]
	549 -> "991 | COCC1=CS[C@H](CN)NC1" [label=""]
	"992 | O=C=O" [color=lightyellow shape=box style=filled]
	549 -> "992 | O=C=O" [label=""]
	"993 | COCBr" [color=lightyellow shape=box style=filled]
	550 -> "993 | COCBr" [label=""]
	"994 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	550 -> "994 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"995 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	551 -> "995 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"996 | CO" [color=lightyellow shape=box style=filled]
	551 -> "996 | CO" [label=""]
	"997 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	552 -> "997 | COCC1=CSCNC1C(=O)O" [label=""]
	"998 | NC=O" [color=lightyellow shape=box style=filled]
	552 -> "998 | NC=O" [label=""]
	"999 | CO" [color=lightyellow shape=box style=filled]
	553 -> "999 | CO" [label=""]
	"1000 | NC[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	553 -> "1000 | NC[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"1001 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1" [color=lightgrey shape=box style=filled]
	554 -> "1001 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1" [label=""]
	"1002 | O=C=O" [color=lightyellow shape=box style=filled]
	554 -> "1002 | O=C=O" [label=""]
	"1003 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	555 -> "1003 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [label=""]
	"1004 | COC" [color=lightyellow shape=box style=filled]
	556 -> "1004 | COC" [label=""]
	"1005 | NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	556 -> "1005 | NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1006 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	557 -> "1006 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"1007 | O=CO" [color=lightyellow shape=box style=filled]
	557 -> "1007 | O=CO" [label=""]
	"1008 | CO" [color=lightyellow shape=box style=filled]
	558 -> "1008 | CO" [label=""]
	"1009 | CI" [color=lightyellow shape=box style=filled]
	558 -> "1009 | CI" [label=""]
	"1010 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	558 -> "1010 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1011 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	559 -> "1011 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"1012 | O=C=O" [color=lightyellow shape=box style=filled]
	559 -> "1012 | O=C=O" [label=""]
	"1013 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	560 -> "1013 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1014 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	561 -> "1014 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"1015 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	561 -> "1015 | CC(C)(C)OC(N)=O" [label=""]
	"1016 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	562 -> "1016 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [label=""]
	"1017 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	563 -> "1017 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"1018 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [color=lightgrey shape=box style=filled]
	564 -> "1018 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [label=""]
	"1019 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [color=lightgrey shape=box style=filled]
	565 -> "1019 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"1020 | N" [color=lightyellow shape=box style=filled]
	565 -> "1020 | N" [label=""]
	"1021 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=lightgrey shape=box style=filled]
	566 -> "1021 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"1022 | O=CO" [color=lightyellow shape=box style=filled]
	567 -> "1022 | O=CO" [label=""]
	"1023 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	567 -> "1023 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1024 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	568 -> "1024 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1025 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	569 -> "1025 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"1026 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	569 -> "1026 | O=C1CCC(=O)N1Br" [label=""]
	"1027 | O=C1C[C@H]2SC=C(Br)CN12" [color=lightgrey shape=box style=filled]
	570 -> "1027 | O=C1C[C@H]2SC=C(Br)CN12" [label=""]
	"1028 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	570 -> "1028 | CC(C)(C)OC(N)=O" [label=""]
	"1029 | NC(C(=O)O)[C@@H]1NCC(Br)=CS1" [color=lightgrey shape=box style=filled]
	571 -> "1029 | NC(C(=O)O)[C@@H]1NCC(Br)=CS1" [label=""]
	"1030 | CC(C)(C)OC(=O)NC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	572 -> "1030 | CC(C)(C)OC(=O)NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"1031 | CS[C@@H]1C(N)C(=O)N1CC(Br)Br" [color=lightgrey shape=box style=filled]
	573 -> "1031 | CS[C@@H]1C(N)C(=O)N1CC(Br)Br" [label=""]
	"1032 | CS[C@@H]1C(N)C(=O)N1CC(Cl)Br" [color=lightgrey shape=box style=filled]
	574 -> "1032 | CS[C@@H]1C(N)C(=O)N1CC(Cl)Br" [label=""]
	"1033 | O=C1C(N[O-])[C@H]2SC=C(Br)CN12" [color=lightgrey shape=box style=filled]
	575 -> "1033 | O=C1C(N[O-])[C@H]2SC=C(Br)CN12" [label=""]
	"1034 | O=NC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	576 -> "1034 | O=NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"1035 | CNC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	577 -> "1035 | CNC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"1036 | [N]C1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	578 -> "1036 | [N]C1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"1037 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	579 -> "1037 | O=C1CCC(=O)N1Br" [label=""]
	"1038 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	579 -> "1038 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1039 | NC(C(=O)O)[C@@H]1NCC(Br)=CS1" [color=lightgrey shape=box style=filled]
	580 -> "1039 | NC(C(=O)O)[C@@H]1NCC(Br)=CS1" [label=""]
	"1040 | O=C=O" [color=lightyellow shape=box style=filled]
	580 -> "1040 | O=C=O" [label=""]
	"1041 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	581 -> "1041 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1042 | O=C(O)C[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	582 -> "1042 | O=C(O)C[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1043 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	582 -> "1043 | CC(C)(C)OC(N)=O" [label=""]
	"1044 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	583 -> "1044 | O=C(O)C1NCSC=C1Br" [label=""]
	"1045 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	583 -> "1045 | NC(=O)C(=O)O" [label=""]
	"1046 | O=C(O)C1N=CSC=C1Br" [color=lightgrey shape=box style=filled]
	584 -> "1046 | O=C(O)C1N=CSC=C1Br" [label=""]
	"1047 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	584 -> "1047 | NCC(=O)O" [label=""]
	"1048 | N" [color=lightyellow shape=box style=filled]
	585 -> "1048 | N" [label=""]
	"1049 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	585 -> "1049 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1050 | O=C(O)C1N[C@@H](C(N[O-])C(=O)O)SC=C1Br" [color=lightgrey shape=box style=filled]
	586 -> "1050 | O=C(O)C1N[C@@H](C(N[O-])C(=O)O)SC=C1Br" [label=""]
	"1051 | N" [color=lightyellow shape=box style=filled]
	587 -> "1051 | N" [label=""]
	"1052 | O=C(O)C1N[C@@H](C(O)C(=O)O)SC=C1Br" [color=lightgrey shape=box style=filled]
	587 -> "1052 | O=C(O)C1N[C@@H](C(O)C(=O)O)SC=C1Br" [label=""]
	"1053 | O=C(O)C[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	588 -> "1053 | O=C(O)C[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1054 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	589 -> "1054 | O=C1CCC(=O)N1Br" [label=""]
	"1055 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	589 -> "1055 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"1056 | O=C(Cl)C[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	590 -> "1056 | O=C(Cl)C[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1057 | O=C1C[C@H]2SC=C(Br)CN12" [color=lightgrey shape=box style=filled]
	591 -> "1057 | O=C1C[C@H]2SC=C(Br)CN12" [label=""]
	"1058 | O=C=O" [color=lightyellow shape=box style=filled]
	591 -> "1058 | O=C=O" [label=""]
	"1059 | O=C[C@H]1SC=C(Br)C(C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	592 -> "1059 | O=C[C@H]1SC=C(Br)C(C(=O)O)N1C(=O)O" [label=""]
	"1060 | O=CN1C(C(=O)O)C(Br)=CS[C@@H]1C(=O)Cl" [color=lightgrey shape=box style=filled]
	593 -> "1060 | O=CN1C(C(=O)O)C(Br)=CS[C@@H]1C(=O)Cl" [label=""]
	"1061 | O=CN1C(C(=O)O)C(Br)=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	594 -> "1061 | O=CN1C(C(=O)O)C(Br)=CS[C@@H]1C(=O)O" [label=""]
	"1062 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	595 -> "1062 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1063 | O=C(O)C1C(Br)=CS[C@H](C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	596 -> "1063 | O=C(O)C1C(Br)=CS[C@H](C(=O)O)N1C(=O)O" [label=""]
	"1064 | O=C[C@H]1SC=C(Br)C(C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	597 -> "1064 | O=C[C@H]1SC=C(Br)C(C(=O)O)N1C(=O)Cl" [label=""]
	"1065 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [color=lightgrey shape=box style=filled]
	598 -> "1065 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"1066 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	598 -> "1066 | O=C1CCC(=O)N1Br" [label=""]
	"1067 | O=C(O)C1C(Br)=CS[C@H](C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	599 -> "1067 | O=C(O)C1C(Br)=CS[C@H](C(=O)O)N1C(=O)Cl" [label=""]
	"1068 | O=C(Cl)C(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	600 -> "1068 | O=C(Cl)C(=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1069 | O=C(O)C1C(Br)=CS[C@H](C(=O)Cl)N1C(=O)O" [color=lightgrey shape=box style=filled]
	601 -> "1069 | O=C(O)C1C(Br)=CS[C@H](C(=O)Cl)N1C(=O)O" [label=""]
	"1070 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	602 -> "1070 | O=C(Cl)Cl" [label=""]
	"1071 | NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	602 -> "1071 | NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1072 | O=C(O)C1N=CSC=C1Br" [color=lightgrey shape=box style=filled]
	603 -> "1072 | O=C(O)C1N=CSC=C1Br" [label=""]
	"1073 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	603 -> "1073 | NCC(=O)Cl" [label=""]
	"1074 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	604 -> "1074 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1075 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	604 -> "1075 | O=C1CCC(=O)N1Br" [label=""]
	"1076 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	605 -> "1076 | O=C(O)C1NCSC=C1Br" [label=""]
	"1077 | NC(=O)C(=O)Cl" [color=lightyellow shape=box style=filled]
	605 -> "1077 | NC(=O)C(=O)Cl" [label=""]
	"1078 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	606 -> "1078 | O=C(O)C1NCSC=C1Br" [label=""]
	"1079 | N=CC(=O)Cl" [color=lightgrey shape=box style=filled]
	606 -> "1079 | N=CC(=O)Cl" [label=""]
	"1080 | CC(C)(C)OC(=O)NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	607 -> "1080 | CC(C)(C)OC(=O)NCC(=O)Cl" [label=""]
	"1081 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	607 -> "1081 | O=C(O)C1NCSC=C1Br" [label=""]
	"1082 | O=C=O" [color=lightyellow shape=box style=filled]
	608 -> "1082 | O=C=O" [label=""]
	"1083 | NC(C(=O)Cl)[C@@H]1NCC(Br)=CS1" [color=lightgrey shape=box style=filled]
	608 -> "1083 | NC(C(=O)Cl)[C@@H]1NCC(Br)=CS1" [label=""]
	"1084 | O=C(O)C1N=CSC=C1Br" [color=lightgrey shape=box style=filled]
	609 -> "1084 | O=C(O)C1N=CSC=C1Br" [label=""]
	"1085 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	609 -> "1085 | NCC(=O)Cl" [label=""]
	"1086 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	610 -> "1086 | NCC(=O)Cl" [label=""]
	"1087 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	610 -> "1087 | O=C1CCC(=O)N1Br" [label=""]
	"1088 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	610 -> "1088 | O=C(O)C1C=CSCN1" [label=""]
	"1089 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	611 -> "1089 | NCC(=O)Cl" [label=""]
	"1090 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	611 -> "1090 | O=C(O)C1C=CSCN1" [label=""]
	"1091 | O=C(OBr)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	611 -> "1091 | O=C(OBr)c1cccc(Cl)c1" [label=""]
	"1092 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	612 -> "1092 | O=C1CCC(=O)N1Br" [label=""]
	"1093 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	612 -> "1093 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1094 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	613 -> "1094 | CN(C)C=O" [label=""]
	"1095 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	613 -> "1095 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1096 | O=CC(O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	614 -> "1096 | O=CC(O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1097 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	614 -> "1097 | CC(C)(C)OC(N)=O" [label=""]
	"1098 | O=C(O)C1N=CSC=C1Br" [color=lightgrey shape=box style=filled]
	615 -> "1098 | O=C(O)C1N=CSC=C1Br" [label=""]
	"1099 | CC(C)(C)OC(=O)NCC=O" [color=lightyellow shape=box style=filled]
	615 -> "1099 | CC(C)(C)OC(=O)NCC=O" [label=""]
	"1100 | O=CO" [color=lightyellow shape=box style=filled]
	616 -> "1100 | O=CO" [label=""]
	"1101 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	616 -> "1101 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1102 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NCC(Br)=CS1" [color=lightgrey shape=box style=filled]
	617 -> "1102 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NCC(Br)=CS1" [label=""]
	"1103 | O=C=O" [color=lightyellow shape=box style=filled]
	617 -> "1103 | O=C=O" [label=""]
	"1104 | O=C1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	618 -> "1104 | O=C1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1105 | CC(C)(C)OC(=O)NCC=O" [color=lightyellow shape=box style=filled]
	618 -> "1105 | CC(C)(C)OC(=O)NCC=O" [label=""]
	"1106 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	619 -> "1106 | O=C(O)C1NCSC=C1Br" [label=""]
	"1107 | CC(C)(C)OC(=O)NC(O)C=O" [color=lightgrey shape=box style=filled]
	619 -> "1107 | CC(C)(C)OC(=O)NC(O)C=O" [label=""]
	"1108 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	620 -> "1108 | O=C(O)C1NCSC=C1Br" [label=""]
	"1109 | CC(C)(C)OC(=O)NC(C=O)C(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	620 -> "1109 | CC(C)(C)OC(=O)NC(C=O)C(=O)OC(C)(C)C" [label=""]
	"1110 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	621 -> "1110 | O=C(O)C1NCSC=C1Br" [label=""]
	"1111 | CC(C)(C)OC(=O)NC(=O)C=O" [color=lightgrey shape=box style=filled]
	621 -> "1111 | CC(C)(C)OC(=O)NC(=O)C=O" [label=""]
	"1112 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	622 -> "1112 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1113 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	622 -> "1113 | O=C1CCC(=O)N1Br" [label=""]
	"1114 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	623 -> "1114 | O=C(O)C1NCSC=C1Br" [label=""]
	"1115 | CCOC(=O)C(N)=O" [color=lightyellow shape=box style=filled]
	623 -> "1115 | CCOC(=O)C(N)=O" [label=""]
	"1116 | O=C(O)C1N=CSC=C1Br" [color=lightgrey shape=box style=filled]
	624 -> "1116 | O=C(O)C1N=CSC=C1Br" [label=""]
	"1117 | CCOC(=O)CN" [color=lightyellow shape=box style=filled]
	624 -> "1117 | CCOC(=O)CN" [label=""]
	"1118 | CCOC(=O)C(N)[C@@H]1NCC(Br)=CS1" [color=lightgrey shape=box style=filled]
	625 -> "1118 | CCOC(=O)C(N)[C@@H]1NCC(Br)=CS1" [label=""]
	"1119 | O=C=O" [color=lightyellow shape=box style=filled]
	625 -> "1119 | O=C=O" [label=""]
	"1120 | CCOC(=O)C(CNC(C(=O)O)C(Br)=CS)NC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	626 -> "1120 | CCOC(=O)C(CNC(C(=O)O)C(Br)=CS)NC(=O)OC(C)(C)C" [label=""]
	"1121 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	627 -> "1121 | O=C(O)C1NCSC=C1Br" [label=""]
	"1122 | O" [color=lightyellow shape=box style=filled]
	627 -> "1122 | O" [label=""]
	"1123 | CCOC(=O)CN" [color=lightyellow shape=box style=filled]
	627 -> "1123 | CCOC(=O)CN" [label=""]
	"1124 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	628 -> "1124 | O=C1CCC(=O)N1Br" [label=""]
	"1125 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	628 -> "1125 | O=C(O)C1C=CSCN1" [label=""]
	"1126 | CCOC(=O)CN" [color=lightyellow shape=box style=filled]
	628 -> "1126 | CCOC(=O)CN" [label=""]
	"1127 | O=C(OBr)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	629 -> "1127 | O=C(OBr)c1cccc(Cl)c1" [label=""]
	"1128 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	629 -> "1128 | O=C(O)C1C=CSCN1" [label=""]
	"1129 | CCOC(=O)CN" [color=lightyellow shape=box style=filled]
	629 -> "1129 | CCOC(=O)CN" [label=""]
	"1130 | O=C(O)C1N=CSC=C1Br" [color=lightgrey shape=box style=filled]
	630 -> "1130 | O=C(O)C1N=CSC=C1Br" [label=""]
	"1131 | CCOC(=O)CN" [color=lightyellow shape=box style=filled]
	630 -> "1131 | CCOC(=O)CN" [label=""]
	"1132 | O=C(O)C1NCSC=C1Br" [color=lightgrey shape=box style=filled]
	631 -> "1132 | O=C(O)C1NCSC=C1Br" [label=""]
	"1133 | CCOC(=O)C(N)O" [color=lightgrey shape=box style=filled]
	631 -> "1133 | CCOC(=O)C(N)O" [label=""]
	"1134 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	632 -> "1134 | O=C1CCC(=O)N1Br" [label=""]
	"1135 | O=C(O)C1C=CS[C@@H]2C(O)C(=O)N12" [color=lightgrey shape=box style=filled]
	632 -> "1135 | O=C(O)C1C=CS[C@@H]2C(O)C(=O)N12" [label=""]
	"1136 | O=C(O)C1N[C@@H](C(O)C(=O)O)SC=C1Br" [color=lightgrey shape=box style=filled]
	633 -> "1136 | O=C(O)C1N[C@@H](C(O)C(=O)O)SC=C1Br" [label=""]
	"1137 | O=C1C(O)[C@H]2SC=C(Br)CN12" [color=lightgrey shape=box style=filled]
	634 -> "1137 | O=C1C(O)[C@H]2SC=C(Br)CN12" [label=""]
	"1138 | O=C=O" [color=lightyellow shape=box style=filled]
	634 -> "1138 | O=C=O" [label=""]
	"1139 | O=C(O)C1C(Br)=CS[C@@H]2C(O)CN12" [color=lightgrey shape=box style=filled]
	635 -> "1139 | O=C(O)C1C(Br)=CS[C@@H]2C(O)CN12" [label=""]
	"1140 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	635 -> "1140 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"1141 | O=C(O)C1C(Br)=CS[C@H](CO)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	636 -> "1141 | O=C(O)C1C(Br)=CS[C@H](CO)N1C(=O)Cl" [label=""]
	"1142 | O=C(O)C1C(Br)=CS[C@H](CO)N1C(=O)O" [color=lightgrey shape=box style=filled]
	637 -> "1142 | O=C(O)C1C(Br)=CS[C@H](CO)N1C(=O)O" [label=""]
	"1143 | O=C[C@H]1SC=C(Br)C(C(=O)O)N1C=O" [color=lightgrey shape=box style=filled]
	638 -> "1143 | O=C[C@H]1SC=C(Br)C(C(=O)O)N1C=O" [label=""]
	"1144 | CCOC(=O)C(O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	639 -> "1144 | CCOC(=O)C(O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1145 | O=C(O)C1N[C@@H](C(O)C(=O)Cl)SC=C1Br" [color=lightgrey shape=box style=filled]
	640 -> "1145 | O=C(O)C1N[C@@H](C(O)C(=O)Cl)SC=C1Br" [label=""]
	"1146 | O=CC(O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	641 -> "1146 | O=CC(O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1147 | O=C(O)C[C@@H]1NC(C(=O)O)C([Br+]Cl)=CS1" [color=lightgrey shape=box style=filled]
	642 -> "1147 | O=C(O)C[C@@H]1NC(C(=O)O)C([Br+]Cl)=CS1" [label=""]
	"1148 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	643 -> "1148 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [label=""]
	"1149 | ClBr" [color=lightgrey shape=box style=filled]
	643 -> "1149 | ClBr" [label=""]
	"1150 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	644 -> "1150 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [label=""]
	"1151 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	644 -> "1151 | ClC(Cl)(Cl)Cl" [label=""]
	"1152 | O=C1C[C@H]2SC=C([Br+]Cl)CN12" [color=lightgrey shape=box style=filled]
	645 -> "1152 | O=C1C[C@H]2SC=C([Br+]Cl)CN12" [label=""]
	"1153 | O=C=O" [color=lightyellow shape=box style=filled]
	645 -> "1153 | O=C=O" [label=""]
	"1154 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	646 -> "1154 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [label=""]
	"1155 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	646 -> "1155 | O=C1CCC(=O)N1Cl" [label=""]
	"1156 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	647 -> "1156 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"1157 | ClBr" [color=lightgrey shape=box style=filled]
	647 -> "1157 | ClBr" [label=""]
	"1158 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	648 -> "1158 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"1159 | Br[Cl+]Br" [color=lightgrey shape=box style=filled]
	648 -> "1159 | Br[Cl+]Br" [label=""]
	"1160 | O=C(O)C1C(Cl)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	649 -> "1160 | O=C(O)C1C(Cl)=CS[C@@H]2CC(=O)N12" [label=""]
	"1161 | ClBr" [color=lightgrey shape=box style=filled]
	649 -> "1161 | ClBr" [label=""]
	"1162 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	650 -> "1162 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"1163 | Cl[Cl+]Br" [color=lightgrey shape=box style=filled]
	650 -> "1163 | Cl[Cl+]Br" [label=""]
	"1164 | O=C(Cl)C[C@@H]1NC(C(=O)O)C([Br+]Cl)=CS1" [color=lightgrey shape=box style=filled]
	651 -> "1164 | O=C(Cl)C[C@@H]1NC(C(=O)O)C([Br+]Cl)=CS1" [label=""]
	"1165 | COCC1=CS[C@H](CN)NC1" [color=lightgrey shape=box style=filled]
	652 -> "1165 | COCC1=CS[C@H](CN)NC1" [label=""]
	"1166 | O=C=O" [color=lightyellow shape=box style=filled]
	652 -> "1166 | O=C=O" [label=""]
	"1167 | COCBr" [color=lightyellow shape=box style=filled]
	653 -> "1167 | COCBr" [label=""]
	"1168 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	653 -> "1168 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1169 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	654 -> "1169 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"1170 | CO" [color=lightyellow shape=box style=filled]
	654 -> "1170 | CO" [label=""]
	"1171 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	655 -> "1171 | COCC1=CSCNC1C(=O)O" [label=""]
	"1172 | NC=O" [color=lightyellow shape=box style=filled]
	655 -> "1172 | NC=O" [label=""]
	"1173 | CO" [color=lightyellow shape=box style=filled]
	656 -> "1173 | CO" [label=""]
	"1174 | NC[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	656 -> "1174 | NC[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"1175 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1" [color=lightgrey shape=box style=filled]
	657 -> "1175 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1" [label=""]
	"1176 | O=C=O" [color=lightyellow shape=box style=filled]
	657 -> "1176 | O=C=O" [label=""]
	"1177 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	658 -> "1177 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1C(=O)O" [label=""]
	"1178 | COC" [color=lightyellow shape=box style=filled]
	659 -> "1178 | COC" [label=""]
	"1179 | NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	659 -> "1179 | NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1180 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	660 -> "1180 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"1181 | O=CO" [color=lightyellow shape=box style=filled]
	660 -> "1181 | O=CO" [label=""]
	"1182 | CO" [color=lightyellow shape=box style=filled]
	661 -> "1182 | CO" [label=""]
	"1183 | CI" [color=lightyellow shape=box style=filled]
	661 -> "1183 | CI" [label=""]
	"1184 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	661 -> "1184 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1185 | O=C=O" [color=lightyellow shape=box style=filled]
	662 -> "1185 | O=C=O" [label=""]
	"1186 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	662 -> "1186 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1187 | NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	663 -> "1187 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"1188 | O=C=O" [color=lightyellow shape=box style=filled]
	663 -> "1188 | O=C=O" [label=""]
	"1189 | NC[C@H](NC(=O)O)SC=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	664 -> "1189 | NC[C@H](NC(=O)O)SC=CC(=O)C(=O)O" [label=""]
	"1190 | CC(C)(C)OC(=O)NCCSC=CC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	665 -> "1190 | CC(C)(C)OC(=O)NCCSC=CC(NC(=O)O)C(=O)O" [label=""]
	"1191 | NC[C]SC=CC([N]C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	666 -> "1191 | NC[C]SC=CC([N]C(=O)O)C(=O)O" [label=""]
	"1192 | NC[C@H](NC(=O)O)SC=CCC(=O)O" [color=lightgrey shape=box style=filled]
	667 -> "1192 | NC[C@H](NC(=O)O)SC=CCC(=O)O" [label=""]
	"1193 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	668 -> "1193 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"1194 | NC=O" [color=lightyellow shape=box style=filled]
	668 -> "1194 | NC=O" [label=""]
	"1195 | NC[C@H](NC(=O)O)SC=CC(O)C(=O)O" [color=lightgrey shape=box style=filled]
	669 -> "1195 | NC[C@H](NC(=O)O)SC=CC(O)C(=O)O" [label=""]
	"1196 | CC(C)(C)OC(=O)C(N)CSC=CC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	670 -> "1196 | CC(C)(C)OC(=O)C(N)CSC=CC(NC(=O)O)C(=O)O" [label=""]
	"1197 | CC(C)(C)OC(=O)NC[C@H](NC(=O)O)SC=CCC(=O)O" [color=lightgrey shape=box style=filled]
	671 -> "1197 | CC(C)(C)OC(=O)NC[C@H](NC(=O)O)SC=CCC(=O)O" [label=""]
	"1198 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	672 -> "1198 | COCC1=CSCNC1C(=O)O" [label=""]
	"1199 | O=C=O" [color=lightyellow shape=box style=filled]
	672 -> "1199 | O=C=O" [label=""]
	"1200 | COCBr" [color=lightyellow shape=box style=filled]
	673 -> "1200 | COCBr" [label=""]
	"1201 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	673 -> "1201 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"1202 | CO" [color=lightyellow shape=box style=filled]
	674 -> "1202 | CO" [label=""]
	"1203 | O=C(O)C1C(CBr)=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	674 -> "1203 | O=C(O)C1C(CBr)=CSCN1C(=O)O" [label=""]
	"1204 | O=CO" [color=lightyellow shape=box style=filled]
	675 -> "1204 | O=CO" [label=""]
	"1205 | O=C(O)C1C(CBr)=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	675 -> "1205 | O=C(O)C1C(CBr)=CSCN1C(=O)O" [label=""]
	"1206 | CO" [color=lightyellow shape=box style=filled]
	676 -> "1206 | CO" [label=""]
	"1207 | O=C(O)C1C(CCl)=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	676 -> "1207 | O=C(O)C1C(CCl)=CSCN1C(=O)O" [label=""]
	"1208 | CO" [color=lightyellow shape=box style=filled]
	677 -> "1208 | CO" [label=""]
	"1209 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	677 -> "1209 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"1210 | CI" [color=lightyellow shape=box style=filled]
	677 -> "1210 | CI" [label=""]
	"1211 | CO" [color=lightyellow shape=box style=filled]
	678 -> "1211 | CO" [label=""]
	"1212 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	678 -> "1212 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"1213 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	679 -> "1213 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"1214 | CO" [color=lightyellow shape=box style=filled]
	679 -> "1214 | CO" [label=""]
	"1215 | C=O" [color=lightyellow shape=box style=filled]
	679 -> "1215 | C=O" [label=""]
	"1216 | O=CO" [color=lightyellow shape=box style=filled]
	680 -> "1216 | O=CO" [label=""]
	"1217 | O=C(O)C1C(CCl)=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	680 -> "1217 | O=C(O)C1C(CCl)=CSCN1C(=O)O" [label=""]
	"1218 | CBr" [color=lightyellow shape=box style=filled]
	681 -> "1218 | CBr" [label=""]
	"1219 | CO" [color=lightyellow shape=box style=filled]
	681 -> "1219 | CO" [label=""]
	"1220 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	681 -> "1220 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"1221 | NCCS" [color=lightyellow shape=box style=filled]
	682 -> "1221 | NCCS" [label=""]
	"1222 | COCC(=CCl)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	682 -> "1222 | COCC(=CCl)C(NC(=O)O)C(=O)O" [label=""]
	"1223 | NC(=O)O" [color=lightyellow shape=box style=filled]
	683 -> "1223 | NC(=O)O" [label=""]
	"1224 | COCC(=CSCCN)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	683 -> "1224 | COCC(=CSCCN)C(=O)C(=O)O" [label=""]
	"1225 | NCCCl" [color=lightyellow shape=box style=filled]
	684 -> "1225 | NCCCl" [label=""]
	"1226 | COCC(=CS)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	684 -> "1226 | COCC(=CS)C(NC(=O)O)C(=O)O" [label=""]
	"1227 | C=C(COC)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	685 -> "1227 | C=C(COC)C(NC(=O)O)C(=O)O" [label=""]
	"1228 | SCCNBr" [color=lightgrey shape=box style=filled]
	685 -> "1228 | SCCNBr" [label=""]
	"1229 | CC(C)(C)OC(=O)NCCS" [color=lightyellow shape=box style=filled]
	686 -> "1229 | CC(C)(C)OC(=O)NCCS" [label=""]
	"1230 | C=C(COC)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	686 -> "1230 | C=C(COC)C(NC(=O)O)C(=O)O" [label=""]
	"1231 | COCC(=CSCCN)C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	687 -> "1231 | COCC(=CSCCN)C(N)C(=O)O" [label=""]
	"1232 | O=C=O" [color=lightyellow shape=box style=filled]
	687 -> "1232 | O=C=O" [label=""]
	"1233 | C=C(COC)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	688 -> "1233 | C=C(COC)C(NC(=O)O)C(=O)O" [label=""]
	"1234 | SCCNCl" [color=lightgrey shape=box style=filled]
	688 -> "1234 | SCCNCl" [label=""]
	"1235 | NCCS" [color=lightyellow shape=box style=filled]
	689 -> "1235 | NCCS" [label=""]
	"1236 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	689 -> "1236 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1237 | C=O" [color=lightyellow shape=box style=filled]
	689 -> "1237 | C=O" [label=""]
	"1238 | NCCO" [color=lightyellow shape=box style=filled]
	690 -> "1238 | NCCO" [label=""]
	"1239 | COCC(=CS)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	690 -> "1239 | COCC(=CS)C(NC(=O)O)C(=O)O" [label=""]
	"1240 | NCCS" [color=lightyellow shape=box style=filled]
	691 -> "1240 | NCCS" [label=""]
	"1241 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	691 -> "1241 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1242 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	691 -> "1242 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"1243 | COC[C][CH]C(=O)O" [color=lightgrey shape=box style=filled]
	692 -> "1243 | COC[C][CH]C(=O)O" [label=""]
	"1244 | [CH]S" [color=lightgrey shape=box style=filled]
	692 -> "1244 | [CH]S" [label=""]
	"1245 | CC(C)(C)OC(=O)NCC[N]C(=O)O" [color=lightgrey shape=box style=filled]
	692 -> "1245 | CC(C)(C)OC(=O)NCC[N]C(=O)O" [label=""]
	"1246 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	693 -> "1246 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1247 | COCC(=CS)C(Cl)C(=O)O" [color=lightgrey shape=box style=filled]
	693 -> "1247 | COCC(=CS)C(Cl)C(=O)O" [label=""]
	"1248 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	694 -> "1248 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1249 | COCC(CC(=O)O)=C(S)Br" [color=lightgrey shape=box style=filled]
	694 -> "1249 | COCC(CC(=O)O)=C(S)Br" [label=""]
	"1250 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	695 -> "1250 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1251 | COCC(=CS)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	695 -> "1251 | COCC(=CS)C(=O)C(=O)O" [label=""]
	"1252 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	696 -> "1252 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1253 | COCC(=CS)CC(=O)O" [color=lightgrey shape=box style=filled]
	696 -> "1253 | COCC(=CS)CC(=O)O" [label=""]
	"1254 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	697 -> "1254 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1255 | COCCCC(=O)O" [color=lightyellow shape=box style=filled]
	697 -> "1255 | COCCCC(=O)O" [label=""]
	"1256 | SCBr" [color=lightgrey shape=box style=filled]
	697 -> "1256 | SCBr" [label=""]
	"1257 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	698 -> "1257 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1258 | COCCCC(=O)O" [color=lightyellow shape=box style=filled]
	698 -> "1258 | COCCCC(=O)O" [label=""]
	"1259 | O=CS" [color=lightgrey shape=box style=filled]
	698 -> "1259 | O=CS" [label=""]
	"1260 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	699 -> "1260 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1261 | COCCCC(=O)O" [color=lightyellow shape=box style=filled]
	699 -> "1261 | COCCCC(=O)O" [label=""]
	"1262 | SCCl" [color=lightgrey shape=box style=filled]
	699 -> "1262 | SCCl" [label=""]
	"1263 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	700 -> "1263 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1264 | CCOP(=O)(CS)OCC" [color=lightgrey shape=box style=filled]
	700 -> "1264 | CCOP(=O)(CS)OCC" [label=""]
	"1265 | COCCCC(=O)O" [color=lightyellow shape=box style=filled]
	700 -> "1265 | COCCCC(=O)O" [label=""]
	"1266 | COCC(=CS)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	701 -> "1266 | COCC(=CS)C(NC(=O)O)C(=O)O" [label=""]
	"1267 | CC(C)(C)OC(=O)NCCBr" [color=lightyellow shape=box style=filled]
	701 -> "1267 | CC(C)(C)OC(=O)NCCBr" [label=""]
	"1268 | NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	702 -> "1268 | NCCNC(=O)O" [label=""]
	"1269 | COCC(=CS)C(Cl)C(=O)O" [color=lightgrey shape=box style=filled]
	702 -> "1269 | COCC(=CS)C(Cl)C(=O)O" [label=""]
	"1270 | COCC(=CS)CC(=O)O" [color=lightgrey shape=box style=filled]
	703 -> "1270 | COCC(=CS)CC(=O)O" [label=""]
	"1271 | NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	703 -> "1271 | NCCNC(=O)O" [label=""]
	"1272 | CC(C)(C)OC(=O)NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	704 -> "1272 | CC(C)(C)OC(=O)NCCNC(=O)O" [label=""]
	"1273 | COCC(=CS)CC(=O)O" [color=lightgrey shape=box style=filled]
	704 -> "1273 | COCC(=CS)CC(=O)O" [label=""]
	"1274 | NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	705 -> "1274 | NCCNC(=O)O" [label=""]
	"1275 | COCC(CC(=O)O)=C(S)Br" [color=lightgrey shape=box style=filled]
	705 -> "1275 | COCC(CC(=O)O)=C(S)Br" [label=""]
	"1276 | NCCN(CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	706 -> "1276 | NCCN(CC(=O)O)C(=O)O" [label=""]
	"1277 | COCCC(=O)S" [color=lightgrey shape=box style=filled]
	706 -> "1277 | COCCC(=O)S" [label=""]
	"1278 | COCC(=CS)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	707 -> "1278 | COCC(=CS)C(=O)C(=O)O" [label=""]
	"1279 | NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	707 -> "1279 | NCCNC(=O)O" [label=""]
	"1280 | COCC(=CS)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	708 -> "1280 | COCC(=CS)C(=O)C(=O)O" [label=""]
	"1281 | NCCNC(=O)O" [color=lightgrey shape=box style=filled]
	708 -> "1281 | NCCNC(=O)O" [label=""]
	"1282 | NCCN(C(=O)O)C(Cl)C(=O)O" [color=lightgrey shape=box style=filled]
	709 -> "1282 | NCCN(C(=O)O)C(Cl)C(=O)O" [label=""]
	"1283 | COCC=CS" [color=lightgrey shape=box style=filled]
	709 -> "1283 | COCC=CS" [label=""]
	"1284 | COCC(Cl)=CS" [color=lightgrey shape=box style=filled]
	710 -> "1284 | COCC(Cl)=CS" [label=""]
	"1285 | NCCN(CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	710 -> "1285 | NCCN(CC(=O)O)C(=O)O" [label=""]
	"1286 | O=C=O" [color=lightyellow shape=box style=filled]
	711 -> "1286 | O=C=O" [label=""]
	"1287 | COCC(=CS)C(NCCN)C(=O)O" [color=lightgrey shape=box style=filled]
	711 -> "1287 | COCC(=CS)C(NCCN)C(=O)O" [label=""]
	"1288 | NCC(=O)S" [color=lightyellow shape=box style=filled]
	712 -> "1288 | NCC(=O)S" [label=""]
	"1289 | COCC(=CCl)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	712 -> "1289 | COCC(=CCl)C(NC(=O)O)C(=O)O" [label=""]
	"1290 | COCC(=CSC(=O)CN)C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	713 -> "1290 | COCC(=CSC(=O)CN)C(N)C(=O)O" [label=""]
	"1291 | O=C=O" [color=lightyellow shape=box style=filled]
	713 -> "1291 | O=C=O" [label=""]
	"1292 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	714 -> "1292 | NCC(=O)O" [label=""]
	"1293 | COCC(=CS)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	714 -> "1293 | COCC(=CS)C(NC(=O)O)C(=O)O" [label=""]
	"1294 | NCC(=O)S" [color=lightyellow shape=box style=filled]
	715 -> "1294 | NCC(=O)S" [label=""]
	"1295 | COCC(=CBr)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	715 -> "1295 | COCC(=CBr)C(NC(=O)O)C(=O)O" [label=""]
	"1296 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	716 -> "1296 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1297 | NCC(=O)S" [color=lightyellow shape=box style=filled]
	716 -> "1297 | NCC(=O)S" [label=""]
	"1298 | C=O" [color=lightyellow shape=box style=filled]
	716 -> "1298 | C=O" [label=""]
	"1299 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	717 -> "1299 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1300 | NCC(=O)SCBr" [color=lightgrey shape=box style=filled]
	717 -> "1300 | NCC(=O)SCBr" [label=""]
	"1301 | CO" [color=lightyellow shape=box style=filled]
	718 -> "1301 | CO" [label=""]
	"1302 | NCC(=O)S" [color=lightyellow shape=box style=filled]
	718 -> "1302 | NCC(=O)S" [label=""]
	"1303 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	718 -> "1303 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1304 | COC(=O)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	719 -> "1304 | COC(=O)c1cccc(Cl)c1" [label=""]
	"1305 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	719 -> "1305 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1306 | NCC(=O)S" [color=lightyellow shape=box style=filled]
	719 -> "1306 | NCC(=O)S" [label=""]
	"1307 | COCC(=CC(=O)OC(C)(C)C)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	720 -> "1307 | COCC(=CC(=O)OC(C)(C)C)C(NC(=O)O)C(=O)O" [label=""]
	"1308 | NCC(=O)S" [color=lightyellow shape=box style=filled]
	720 -> "1308 | NCC(=O)S" [label=""]
	"1309 | O=C(O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	721 -> "1309 | O=C(O)CNC(=O)O" [label=""]
	"1310 | COCC(O)=CSC(=O)CN" [color=lightgrey shape=box style=filled]
	721 -> "1310 | COCC(O)=CSC(=O)CN" [label=""]
	"1311 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1" [color=lightgrey shape=box style=filled]
	722 -> "1311 | COCC1=CS[C@H](CNC(=O)OC(C)(C)C)NC1" [label=""]
	"1312 | O=C=O" [color=lightyellow shape=box style=filled]
	722 -> "1312 | O=C=O" [label=""]
	"1313 | COCBr" [color=lightyellow shape=box style=filled]
	723 -> "1313 | COCBr" [label=""]
	"1314 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	723 -> "1314 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1315 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	724 -> "1315 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"1316 | CO" [color=lightyellow shape=box style=filled]
	724 -> "1316 | CO" [label=""]
	"1317 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	725 -> "1317 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"1318 | COCC1=CS[C@H](CN)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	725 -> "1318 | COCC1=CS[C@H](CN)NC1C(=O)O" [label=""]
	"1319 | COCC1=CSC=NC1C(=O)O" [color=lightgrey shape=box style=filled]
	726 -> "1319 | COCC1=CSC=NC1C(=O)O" [label=""]
	"1320 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	726 -> "1320 | CNC(=O)OC(C)(C)C" [label=""]
	"1321 | COCC1=CSCNC1C(=O)O" [color=lightgrey shape=box style=filled]
	727 -> "1321 | COCC1=CSCNC1C(=O)O" [label=""]
	"1322 | CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	727 -> "1322 | CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C" [label=""]
	"1323 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	728 -> "1323 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"1324 | O=CO" [color=lightyellow shape=box style=filled]
	728 -> "1324 | O=CO" [label=""]
	"1325 | COC" [color=lightyellow shape=box style=filled]
	729 -> "1325 | COC" [label=""]
	"1326 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	729 -> "1326 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1327 | COCCl" [color=lightgrey shape=box style=filled]
	730 -> "1327 | COCCl" [label=""]
	"1328 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	730 -> "1328 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1329 | CO" [color=lightyellow shape=box style=filled]
	731 -> "1329 | CO" [label=""]
	"1330 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(CO)=CS1" [color=lightgrey shape=box style=filled]
	731 -> "1330 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C(CO)=CS1" [label=""]
	"1331 | COCC(CSCCN)C(N)C(=O)O" [color=lightgrey shape=box style=filled]
	732 -> "1331 | COCC(CSCCN)C(N)C(=O)O" [label=""]
	"1332 | O=C=O" [color=lightyellow shape=box style=filled]
	732 -> "1332 | O=C=O" [label=""]
	"1333 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	733 -> "1333 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1334 | CSCCNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	733 -> "1334 | CSCCNC(=O)OC(C)(C)C" [label=""]
	"1335 | NCCS" [color=lightyellow shape=box style=filled]
	734 -> "1335 | NCCS" [label=""]
	"1336 | COCC(CBr)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	734 -> "1336 | COCC(CBr)C(NC(=O)O)C(=O)O" [label=""]
	"1337 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	735 -> "1337 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1338 | CSCCNCl" [color=lightgrey shape=box style=filled]
	735 -> "1338 | CSCCNCl" [label=""]
	"1339 | O=C(O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	736 -> "1339 | O=C(O)CNC(=O)O" [label=""]
	"1340 | COCCCSCCNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	736 -> "1340 | COCCCSCCNC(=O)OC(C)(C)C" [label=""]
	"1341 | NCCSCBr" [color=lightgrey shape=box style=filled]
	737 -> "1341 | NCCSCBr" [label=""]
	"1342 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	737 -> "1342 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1343 | CSCCN" [color=lightyellow shape=box style=filled]
	738 -> "1343 | CSCCN" [label=""]
	"1344 | COCC(=O)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	738 -> "1344 | COCC(=O)C(NC(=O)O)C(=O)O" [label=""]
	"1345 | COCC(CO)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	739 -> "1345 | COCC(CO)C(NC(=O)O)C(=O)O" [label=""]
	"1346 | NCCS" [color=lightyellow shape=box style=filled]
	739 -> "1346 | NCCS" [label=""]
	"1347 | COCCC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	740 -> "1347 | COCCC(NC(=O)O)C(=O)O" [label=""]
	"1348 | CSCCNC(C)=O" [color=lightyellow shape=box style=filled]
	740 -> "1348 | CSCCNC(C)=O" [label=""]
	"1349 | O=C(O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	741 -> "1349 | O=C(O)CNC(=O)O" [label=""]
	"1350 | COCC(=O)CSCCN" [color=lightgrey shape=box style=filled]
	741 -> "1350 | COCC(=O)CSCCN" [label=""]
	"1351 | NC(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	742 -> "1351 | NC(=O)CNC(=O)O" [label=""]
	"1352 | COCC(=CS)CC(=O)O" [color=lightgrey shape=box style=filled]
	742 -> "1352 | COCC(=CS)CC(=O)O" [label=""]
	"1353 | COC[C][CH]C(=O)O" [color=lightgrey shape=box style=filled]
	743 -> "1353 | COC[C][CH]C(=O)O" [label=""]
	"1354 | [CH]S" [color=lightgrey shape=box style=filled]
	743 -> "1354 | [CH]S" [label=""]
	"1355 | NC(=O)C[N]C(=O)O" [color=lightgrey shape=box style=filled]
	743 -> "1355 | NC(=O)C[N]C(=O)O" [label=""]
	"1356 | NC(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	744 -> "1356 | NC(=O)CNC(=O)O" [label=""]
	"1357 | COCC(=CS)CC(=O)O" [color=lightgrey shape=box style=filled]
	744 -> "1357 | COCC(=CS)CC(=O)O" [label=""]
	"1358 | NC(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	745 -> "1358 | NC(=O)CNC(=O)O" [label=""]
	"1359 | COCC(CS)CC(=O)O" [color=lightgrey shape=box style=filled]
	745 -> "1359 | COCC(CS)CC(=O)O" [label=""]
	"1360 | NC(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	746 -> "1360 | NC(=O)CNC(=O)O" [label=""]
	"1361 | COCC(=C[SH]=O)CC(=O)O" [color=lightgrey shape=box style=filled]
	746 -> "1361 | COCC(=C[SH]=O)CC(=O)O" [label=""]
	"1362 | NC(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	747 -> "1362 | NC(=O)CNC(=O)O" [label=""]
	"1363 | COCCCC(=O)O" [color=lightyellow shape=box style=filled]
	747 -> "1363 | COCCCC(=O)O" [label=""]
	"1364 | O=CS" [color=lightgrey shape=box style=filled]
	747 -> "1364 | O=CS" [label=""]
	"1365 | NC(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	748 -> "1365 | NC(=O)CNC(=O)O" [label=""]
	"1366 | COCCCC(=O)O" [color=lightyellow shape=box style=filled]
	748 -> "1366 | COCCCC(=O)O" [label=""]
	"1367 | SCBr" [color=lightgrey shape=box style=filled]
	748 -> "1367 | SCBr" [label=""]
	"1368 | NC(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	749 -> "1368 | NC(=O)CNC(=O)O" [label=""]
	"1369 | COCC(CS)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	749 -> "1369 | COCC(CS)C(=O)C(=O)O" [label=""]
	"1370 | NC(=O)CBr" [color=lightyellow shape=box style=filled]
	750 -> "1370 | NC(=O)CBr" [label=""]
	"1371 | COCC(=CS)C(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	750 -> "1371 | COCC(=CS)C(NC(=O)O)C(=O)O" [label=""]
	"1372 | COCC(=CS)C(NCC(N)=O)C(=O)O" [color=lightgrey shape=box style=filled]
	751 -> "1372 | COCC(=CS)C(NCC(N)=O)C(=O)O" [label=""]
	"1373 | O=C=O" [color=lightyellow shape=box style=filled]
	751 -> "1373 | O=C=O" [label=""]
	"1374 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	752 -> "1374 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1375 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	752 -> "1375 | CC(C)(C)OC(N)=O" [label=""]
	"1376 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	753 -> "1376 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1377 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	754 -> "1377 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"1378 | NC[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	755 -> "1378 | NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"1379 | N" [color=lightyellow shape=box style=filled]
	756 -> "1379 | N" [label=""]
	"1380 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	756 -> "1380 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"1381 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	757 -> "1381 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"1382 | NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	758 -> "1382 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"1383 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	759 -> "1383 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" [label=""]
	"1384 | O=NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	760 -> "1384 | O=NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"1385 | O=CO" [color=lightyellow shape=box style=filled]
	761 -> "1385 | O=CO" [label=""]
	"1386 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	761 -> "1386 | NC[C@@H]1NCC=CS1" [label=""]
	"1387 | NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	762 -> "1387 | NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1388 | O=C=O" [color=lightyellow shape=box style=filled]
	762 -> "1388 | O=C=O" [label=""]
	"1389 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	763 -> "1389 | NC(=O)C(=O)O" [label=""]
	"1390 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	763 -> "1390 | O=C(O)C1C=CSCN1" [label=""]
	"1391 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	764 -> "1391 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1392 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	764 -> "1392 | CC(C)(C)OC(N)=O" [label=""]
	"1393 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	765 -> "1393 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1394 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	766 -> "1394 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1395 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" [color=lightgrey shape=box style=filled]
	767 -> "1395 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" [label=""]
	"1396 | N" [color=lightyellow shape=box style=filled]
	768 -> "1396 | N" [label=""]
	"1397 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	768 -> "1397 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1398 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	769 -> "1398 | O=C(O)C1C=CSCN1" [label=""]
	"1399 | NC(Br)C(=O)O" [color=lightgrey shape=box style=filled]
	769 -> "1399 | NC(Br)C(=O)O" [label=""]
	"1400 | N" [color=lightyellow shape=box style=filled]
	770 -> "1400 | N" [label=""]
	"1401 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	770 -> "1401 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"1402 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	771 -> "1402 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1403 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	772 -> "1403 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1404 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	773 -> "1404 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1405 | O=C=O" [color=lightyellow shape=box style=filled]
	773 -> "1405 | O=C=O" [label=""]
	"1406 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	774 -> "1406 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"1407 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	775 -> "1407 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1408 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	776 -> "1408 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" [label=""]
	"1409 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	777 -> "1409 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1410 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	778 -> "1410 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" [label=""]
	"1411 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	779 -> "1411 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"1412 | [CH][S]" [color=lightgrey shape=box style=filled]
	780 -> "1412 | [CH][S]" [label=""]
	"1413 | [CH]C(C(=O)O)N1[CH]CC1=O" [color=lightgrey shape=box style=filled]
	780 -> "1413 | [CH]C(C(=O)O)N1[CH]CC1=O" [label=""]
	"1414 | C=CC(C(=O)O)N1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	781 -> "1414 | C=CC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"1415 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	782 -> "1415 | O=C(Cl)Cl" [label=""]
	"1416 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	782 -> "1416 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1417 | O=C=O" [color=lightyellow shape=box style=filled]
	783 -> "1417 | O=C=O" [label=""]
	"1418 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	783 -> "1418 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1419 | NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	784 -> "1419 | NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"1420 | O=C=O" [color=lightyellow shape=box style=filled]
	784 -> "1420 | O=C=O" [label=""]
	"1421 | NC[C@H](NC(=O)O)SC=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	785 -> "1421 | NC[C@H](NC(=O)O)SC=CC(=O)C(=O)O" [label=""]
	"1422 | CC(C)(C)OC(=O)NCCSC=CC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	786 -> "1422 | CC(C)(C)OC(=O)NCCSC=CC(NC(=O)O)C(=O)O" [label=""]
	"1423 | NC[C]SC=CC([N]C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	787 -> "1423 | NC[C]SC=CC([N]C(=O)O)C(=O)O" [label=""]
	"1424 | NC[C@H](NC(=O)O)SC=CCC(=O)O" [color=lightgrey shape=box style=filled]
	788 -> "1424 | NC[C@H](NC(=O)O)SC=CCC(=O)O" [label=""]
	"1425 | O=C(O)C1C=CSCN1C(=O)O" [color=lightgrey shape=box style=filled]
	789 -> "1425 | O=C(O)C1C=CSCN1C(=O)O" [label=""]
	"1426 | NC=O" [color=lightyellow shape=box style=filled]
	789 -> "1426 | NC=O" [label=""]
	"1427 | NC[C@H](NC(=O)O)SC=CC(O)C(=O)O" [color=lightgrey shape=box style=filled]
	790 -> "1427 | NC[C@H](NC(=O)O)SC=CC(O)C(=O)O" [label=""]
	"1428 | CC(C)(C)OC(=O)C(N)CSC=CC(NC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	791 -> "1428 | CC(C)(C)OC(=O)C(N)CSC=CC(NC(=O)O)C(=O)O" [label=""]
	"1429 | CC(C)(C)OC(=O)NC[C@H](NC(=O)O)SC=CCC(=O)O" [color=lightgrey shape=box style=filled]
	792 -> "1429 | CC(C)(C)OC(=O)NC[C@H](NC(=O)O)SC=CCC(=O)O" [label=""]
	"1430 | CCCC(=O)O" [color=lightyellow shape=box style=filled]
	793 -> "1430 | CCCC(=O)O" [label=""]
	"1431 | NC1C(=O)NC1=S" [color=lightgrey shape=box style=filled]
	793 -> "1431 | NC1C(=O)NC1=S" [label=""]
	"1432 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	794 -> "1432 | CCC(=O)C(=O)O" [label=""]
	"1433 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	794 -> "1433 | NC1C(=O)N[C@@H]1S" [label=""]
	"1434 | CCC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	795 -> "1434 | CCC(O)C(=O)O" [label=""]
	"1435 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	795 -> "1435 | NC1C(=O)N[C@@H]1S" [label=""]
	"1436 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	796 -> "1436 | NC1C(=O)N[C@@H]1S" [label=""]
	"1437 | CCC(Br)C(=O)O" [color=lightyellow shape=box style=filled]
	796 -> "1437 | CCC(Br)C(=O)O" [label=""]
	"1438 | CCCC(=O)O" [color=lightyellow shape=box style=filled]
	797 -> "1438 | CCCC(=O)O" [label=""]
	"1439 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	797 -> "1439 | NC1C(=O)N[C@@H]1S" [label=""]
	"1440 | CCC(N[C@H](S)C(N)C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	798 -> "1440 | CCC(N[C@H](S)C(N)C(=O)O)C(=O)O" [label=""]
	"1441 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	799 -> "1441 | CCC(=O)C(=O)O" [label=""]
	"1442 | NC1C(=O)NC1=S" [color=lightgrey shape=box style=filled]
	799 -> "1442 | NC1C(=O)NC1=S" [label=""]
	"1443 | CCC(NC(=O)C(N)C=S)C(=O)O" [color=lightgrey shape=box style=filled]
	800 -> "1443 | CCC(NC(=O)C(N)C=S)C(=O)O" [label=""]
	"1444 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	801 -> "1444 | CCC(=O)C(=O)O" [label=""]
	"1445 | NC1C(=O)N[C@@H]1S" [color=lightgrey shape=box style=filled]
	801 -> "1445 | NC1C(=O)N[C@@H]1S" [label=""]
	"1446 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	802 -> "1446 | CCC(C(=O)O)N1C(=O)C[C@H]1S" [label=""]
	"1447 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	802 -> "1447 | CC(C)(C)OC(N)=O" [label=""]
	"1448 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	803 -> "1448 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [label=""]
	"1449 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)Cl" [color=lightgrey shape=box style=filled]
	804 -> "1449 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)Cl" [label=""]
	"1450 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	805 -> "1450 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"1451 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	806 -> "1451 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)O" [label=""]
	"1452 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	807 -> "1452 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1453 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	808 -> "1453 | O=C[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [label=""]
	"1454 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	809 -> "1454 | O=C(O)C1C=CS[C@H](C(=O)O)N1C(=O)Cl" [label=""]
	"1455 | O=C(O)C(=O)N1CSC=CC1C(=O)O" [color=lightgrey shape=box style=filled]
	810 -> "1455 | O=C(O)C(=O)N1CSC=CC1C(=O)O" [label=""]
	"1456 | CCOC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=lightgrey shape=box style=filled]
	811 -> "1456 | CCOC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"1457 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	812 -> "1457 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"1458 | O=C=O" [color=lightyellow shape=box style=filled]
	812 -> "1458 | O=C=O" [label=""]
	"1459 | O=CO" [color=lightyellow shape=box style=filled]
	813 -> "1459 | O=CO" [label=""]
	"1460 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	813 -> "1460 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1461 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	814 -> "1461 | CN(C)C=O" [label=""]
	"1462 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	814 -> "1462 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1463 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	815 -> "1463 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"1464 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	815 -> "1464 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1465 | N" [color=lightyellow shape=box style=filled]
	816 -> "1465 | N" [label=""]
	"1466 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	816 -> "1466 | O=CN1C(C(=O)O)C=CS[C@@H]1C(=O)O" [label=""]
	"1467 | O=CO" [color=lightyellow shape=box style=filled]
	817 -> "1467 | O=CO" [label=""]
	"1468 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	817 -> "1468 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1469 | CO" [color=lightyellow shape=box style=filled]
	818 -> "1469 | CO" [label=""]
	"1470 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	818 -> "1470 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1471 | NC(=O)[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	819 -> "1471 | NC(=O)[C@H]1SC=CCN1C=O" [label=""]
	"1472 | O=C=O" [color=lightyellow shape=box style=filled]
	819 -> "1472 | O=C=O" [label=""]
	"1473 | O=CCl" [color=lightgrey shape=box style=filled]
	820 -> "1473 | O=CCl" [label=""]
	"1474 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	820 -> "1474 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1475 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	821 -> "1475 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1476 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	821 -> "1476 | OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"1477 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	822 -> "1477 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1478 | C=CO" [color=lightgrey shape=box style=filled]
	822 -> "1478 | C=CO" [label=""]
	"1479 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	823 -> "1479 | NC[C@@H]1NCC=CS1" [label=""]
	"1480 | O=C=O" [color=lightyellow shape=box style=filled]
	823 -> "1480 | O=C=O" [label=""]
	"1481 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	824 -> "1481 | O=C(O)C1C=CSCN1" [label=""]
	"1482 | NC=O" [color=lightyellow shape=box style=filled]
	824 -> "1482 | NC=O" [label=""]
	"1483 | N" [color=lightyellow shape=box style=filled]
	825 -> "1483 | N" [label=""]
	"1484 | O=C(O)C1C=CS[C@H](CO)N1" [color=lightgrey shape=box style=filled]
	825 -> "1484 | O=C(O)C1C=CS[C@H](CO)N1" [label=""]
	"1485 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	826 -> "1485 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1486 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	827 -> "1486 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1487 | N" [color=lightyellow shape=box style=filled]
	828 -> "1487 | N" [label=""]
	"1488 | O=C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	828 -> "1488 | O=C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1489 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	829 -> "1489 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1490 | O=C=O" [color=lightyellow shape=box style=filled]
	829 -> "1490 | O=C=O" [label=""]
	"1491 | N" [color=lightyellow shape=box style=filled]
	830 -> "1491 | N" [label=""]
	"1492 | O=C(O)C1C=CS[C@H](CBr)N1" [color=lightgrey shape=box style=filled]
	830 -> "1492 | O=C(O)C1C=CS[C@H](CBr)N1" [label=""]
	"1493 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	831 -> "1493 | NC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1494 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	832 -> "1494 | O=C(O)C1C=CSCN1" [label=""]
	"1495 | NCBr" [color=lightgrey shape=box style=filled]
	832 -> "1495 | NCBr" [label=""]
	"1496 | CC(C)(C)OC(=O)NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	833 -> "1496 | CC(C)(C)OC(=O)NCC(=O)Cl" [label=""]
	"1497 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	833 -> "1497 | O=C(O)C1C=CSCN1" [label=""]
	"1498 | NC(=O)C(=O)Cl" [color=lightyellow shape=box style=filled]
	834 -> "1498 | NC(=O)C(=O)Cl" [label=""]
	"1499 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	834 -> "1499 | O=C(O)C1C=CSCN1" [label=""]
	"1500 | N=CC(=O)Cl" [color=lightgrey shape=box style=filled]
	835 -> "1500 | N=CC(=O)Cl" [label=""]
	"1501 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	835 -> "1501 | O=C(O)C1C=CSCN1" [label=""]
	"1502 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	836 -> "1502 | O=C(Cl)Cl" [label=""]
	"1503 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	836 -> "1503 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1504 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	837 -> "1504 | O=C(O)C1C=CSC=N1" [label=""]
	"1505 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	837 -> "1505 | NCC(=O)Cl" [label=""]
	"1506 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	838 -> "1506 | O=C(Cl)Cl" [label=""]
	"1507 | CN" [color=lightyellow shape=box style=filled]
	838 -> "1507 | CN" [label=""]
	"1508 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	838 -> "1508 | O=C(O)C1C=CSCN1" [label=""]
	"1509 | NC(C(=O)Cl)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	839 -> "1509 | NC(C(=O)Cl)[C@@H]1NCC=CS1" [label=""]
	"1510 | O=C=O" [color=lightyellow shape=box style=filled]
	839 -> "1510 | O=C=O" [label=""]
	"1511 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	840 -> "1511 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1512 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	840 -> "1512 | CC(C)(C)OC(N)=O" [label=""]
	"1513 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	841 -> "1513 | O=C(O)C1C=CSC=N1" [label=""]
	"1514 | O=NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	841 -> "1514 | O=NCC(=O)Cl" [label=""]
	"1515 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	842 -> "1515 | O=C(O)C1C=CSC=N1" [label=""]
	"1516 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	842 -> "1516 | NCC(=O)Cl" [label=""]
	"1517 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [color=lightgrey shape=box style=filled]
	843 -> "1517 | CC1=CS[C@@H]2C(N)C(=O)N2C1" [label=""]
	"1518 | O=C=O" [color=lightyellow shape=box style=filled]
	843 -> "1518 | O=C=O" [label=""]
	"1519 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	844 -> "1519 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [label=""]
	"1520 | CC1=CS[C@@H]2CC(=O)N2C1C(=O)O" [color=lightgrey shape=box style=filled]
	845 -> "1520 | CC1=CS[C@@H]2CC(=O)N2C1C(=O)O" [label=""]
	"1521 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	845 -> "1521 | CC(C)(C)OC(N)=O" [label=""]
	"1522 | CC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" [color=lightgrey shape=box style=filled]
	846 -> "1522 | CC1=CS[C@H](CN)N(C(=O)O)C1C(=O)O" [label=""]
	"1523 | CC1=CS[C@H](CN)N(C(=O)Cl)C1C(=O)O" [color=lightgrey shape=box style=filled]
	847 -> "1523 | CC1=CS[C@H](CN)N(C(=O)Cl)C1C(=O)O" [label=""]
	"1524 | C=O" [color=lightyellow shape=box style=filled]
	848 -> "1524 | C=O" [label=""]
	"1525 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [color=lightgrey shape=box style=filled]
	848 -> "1525 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [label=""]
	"1526 | N" [color=lightyellow shape=box style=filled]
	849 -> "1526 | N" [label=""]
	"1527 | CC1=CS[C@@H]2C(=O)C(=O)N2C1C(=O)O" [color=lightgrey shape=box style=filled]
	849 -> "1527 | CC1=CS[C@@H]2C(=O)C(=O)N2C1C(=O)O" [label=""]
	"1528 | CC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" [color=lightgrey shape=box style=filled]
	850 -> "1528 | CC1=CS[C@H](C(N)=O)N(C=O)C1C(=O)O" [label=""]
	"1529 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(C)=CS1" [color=lightgrey shape=box style=filled]
	851 -> "1529 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(C)=CS1" [label=""]
	"1530 | O=CO" [color=lightyellow shape=box style=filled]
	852 -> "1530 | O=CO" [label=""]
	"1531 | CC1=CS[C@H](CN)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	852 -> "1531 | CC1=CS[C@H](CN)NC1C(=O)O" [label=""]
	"1532 | NC1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	853 -> "1532 | NC1C(=O)N2CC=CS[C@H]12" [label=""]
	"1533 | O=C=O" [color=lightyellow shape=box style=filled]
	853 -> "1533 | O=C=O" [label=""]
	"1534 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	854 -> "1534 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1535 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	855 -> "1535 | O=C(O)C1C=CS[C@@H]2CC(=O)N12" [label=""]
	"1536 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	855 -> "1536 | CC(C)(C)OC(N)=O" [label=""]
	"1537 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	856 -> "1537 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)Cl" [label=""]
	"1538 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [color=lightgrey shape=box style=filled]
	857 -> "1538 | NC[C@H]1SC=CC(C(=O)O)N1C(=O)O" [label=""]
	"1539 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [color=lightgrey shape=box style=filled]
	858 -> "1539 | CCC(C(=O)O)N1C(=O)C(N)[C@H]1S" [label=""]
	"1540 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [color=lightgrey shape=box style=filled]
	859 -> "1540 | O=C(O)C1C=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"1541 | N" [color=lightyellow shape=box style=filled]
	859 -> "1541 | N" [label=""]
	"1542 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [color=lightgrey shape=box style=filled]
	860 -> "1542 | NC(=O)[C@H]1SC=CC(C(=O)O)N1C=O" [label=""]
	"1543 | O=CO" [color=lightyellow shape=box style=filled]
	861 -> "1543 | O=CO" [label=""]
	"1544 | NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	861 -> "1544 | NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1545 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	862 -> "1545 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1546 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	863 -> "1546 | O=C1CCC(=O)N1Br" [label=""]
	"1547 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	863 -> "1547 | CC1=CS[C@H](C(N)C(=O)O)NC1C(=O)O" [label=""]
	"1548 | O=C=O" [color=lightyellow shape=box style=filled]
	864 -> "1548 | O=C=O" [label=""]
	"1549 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [color=lightgrey shape=box style=filled]
	864 -> "1549 | NC(C(=O)O)[C@@H]1NCC(CBr)=CS1" [label=""]
	"1550 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	865 -> "1550 | O=C(O)C1NCSC=C1CBr" [label=""]
	"1551 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	865 -> "1551 | NC(=O)C(=O)O" [label=""]
	"1552 | BrCBr" [color=lightyellow shape=box style=filled]
	866 -> "1552 | BrCBr" [label=""]
	"1553 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	866 -> "1553 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1554 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	867 -> "1554 | NCC(=O)O" [label=""]
	"1555 | O=C(O)C1NCSC=C1C(Br)Br" [color=lightgrey shape=box style=filled]
	867 -> "1555 | O=C(O)C1NCSC=C1C(Br)Br" [label=""]
	"1556 | N" [color=lightyellow shape=box style=filled]
	868 -> "1556 | N" [label=""]
	"1557 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	868 -> "1557 | O=C(O)C1NCSC=C1CBr" [label=""]
	"1558 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	868 -> "1558 | O=CC(=O)O" [label=""]
	"1559 | BrCBr" [color=lightyellow shape=box style=filled]
	869 -> "1559 | BrCBr" [label=""]
	"1560 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	869 -> "1560 | O=C(O)C1C=CSCN1" [label=""]
	"1561 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	869 -> "1561 | NCC(=O)O" [label=""]
	"1562 | O=C(O)C1[C]=CS[CH]N1" [color=lightgrey shape=box style=filled]
	870 -> "1562 | O=C(O)C1[C]=CS[CH]N1" [label=""]
	"1563 | N[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	870 -> "1563 | N[CH]C(=O)O" [label=""]
	"1564 | [CH2]Br" [color=lightgrey shape=box style=filled]
	870 -> "1564 | [CH2]Br" [label=""]
	"1565 | CBr" [color=lightyellow shape=box style=filled]
	871 -> "1565 | CBr" [label=""]
	"1566 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	871 -> "1566 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1567 | O=C(O)C1N=CSC=C1CBr" [color=lightgrey shape=box style=filled]
	872 -> "1567 | O=C(O)C1N=CSC=C1CBr" [label=""]
	"1568 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	872 -> "1568 | NCC(=O)Cl" [label=""]
	"1569 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	873 -> "1569 | O=C1CCC(=O)N1Br" [label=""]
	"1570 | CC1=CS[C@H](C(N)C(=O)Cl)NC1C(=O)O" [color=lightgrey shape=box style=filled]
	873 -> "1570 | CC1=CS[C@H](C(N)C(=O)Cl)NC1C(=O)O" [label=""]
	"1571 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	874 -> "1571 | O=C(O)C1NCSC=C1CBr" [label=""]
	"1572 | NC(=O)C(=O)Cl" [color=lightyellow shape=box style=filled]
	874 -> "1572 | NC(=O)C(=O)Cl" [label=""]
	"1573 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [color=lightgrey shape=box style=filled]
	875 -> "1573 | NC[C@@H]1NC(C(=O)O)C(CBr)=CS1" [label=""]
	"1574 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	875 -> "1574 | O=C(Cl)Cl" [label=""]
	"1575 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	876 -> "1575 | O=C(O)C1NCSC=C1CBr" [label=""]
	"1576 | N=CC(=O)Cl" [color=lightgrey shape=box style=filled]
	876 -> "1576 | N=CC(=O)Cl" [label=""]
	"1577 | CC(C)(C)OC(=O)NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	877 -> "1577 | CC(C)(C)OC(=O)NCC(=O)Cl" [label=""]
	"1578 | O=C(O)C1NCSC=C1CBr" [color=lightgrey shape=box style=filled]
	877 -> "1578 | O=C(O)C1NCSC=C1CBr" [label=""]
	"1579 | NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	878 -> "1579 | NCC(=O)Cl" [label=""]
	"1580 | BrCBr" [color=lightyellow shape=box style=filled]
	878 -> "1580 | BrCBr" [label=""]
	"1581 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	878 -> "1581 | O=C(O)C1C=CSCN1" [label=""]
	"1582 | NC(C(=O)Cl)[C@@H]1NCC(CBr)=CS1" [color=lightgrey shape=box style=filled]
	879 -> "1582 | NC(C(=O)Cl)[C@@H]1NCC(CBr)=CS1" [label=""]
	"1583 | O=C=O" [color=lightyellow shape=box style=filled]
	879 -> "1583 | O=C=O" [label=""]
	"1584 | O=C(O)C1N=CSC=C1CBr" [color=lightgrey shape=box style=filled]
	880 -> "1584 | O=C(O)C1N=CSC=C1CBr" [label=""]
	"1585 | O=NCC(=O)Cl" [color=lightgrey shape=box style=filled]
	880 -> "1585 | O=NCC(=O)Cl" [label=""]
	"1586 | N[CH]C(=O)Cl" [color=lightgrey shape=box style=filled]
	881 -> "1586 | N[CH]C(=O)Cl" [label=""]
	"1587 | O=C(O)C1[C]=CS[CH]N1" [color=lightgrey shape=box style=filled]
	881 -> "1587 | O=C(O)C1[C]=CS[CH]N1" [label=""]
	"1588 | [CH2]Br" [color=lightgrey shape=box style=filled]
	881 -> "1588 | [CH2]Br" [label=""]
	"1589 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	882 -> "1589 | O=C1CCC(=O)N1Br" [label=""]
	"1590 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [color=lightgrey shape=box style=filled]
	882 -> "1590 | NC1C(=O)N2C(C(=O)O)C=CS[C@H]12" [label=""]
	"1591 | NC1C(=O)N2CC(Br)=CS[C@H]12" [color=lightgrey shape=box style=filled]
	883 -> "1591 | NC1C(=O)N2CC(Br)=CS[C@H]12" [label=""]
	"1592 | O=C=O" [color=lightyellow shape=box style=filled]
	883 -> "1592 | O=C=O" [label=""]
	"1593 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	884 -> "1593 | NC(C(=O)O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1594 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	885 -> "1594 | O=C(O)C1C(Br)=CS[C@@H]2CC(=O)N12" [label=""]
	"1595 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	885 -> "1595 | CC(C)(C)OC(N)=O" [label=""]
	"1596 | N" [color=lightyellow shape=box style=filled]
	886 -> "1596 | N" [label=""]
	"1597 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" [color=lightgrey shape=box style=filled]
	886 -> "1597 | O=C(O)C1C(Br)=CS[C@@H]2C(=O)C(=O)N12" [label=""]
	"1598 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	887 -> "1598 | NC(C(=O)Cl)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1599 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	888 -> "1599 | CC(C)(C)OC(=O)NC(C=O)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1600 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" [color=lightgrey shape=box style=filled]
	889 -> "1600 | CCOC(=O)C(N)[C@@H]1NC(C(=O)O)C(Br)=CS1" [label=""]
	"1601 | N" [color=lightyellow shape=box style=filled]
	890 -> "1601 | N" [label=""]
	"1602 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" [color=lightgrey shape=box style=filled]
	890 -> "1602 | O=C(O)C1C(Br)=CS[C@@H]2C(O)C(=O)N12" [label=""]
	"1603 | N" [color=lightyellow shape=box style=filled]
	891 -> "1603 | N" [label=""]
	"1604 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" [color=lightgrey shape=box style=filled]
	891 -> "1604 | O=C(O)C1C([Br+]Cl)=CS[C@@H]2CC(=O)N12" [label=""]
	892 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 892 [label=0.000]
	893 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 893 [label=0.000]
	894 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 894 [label=0.000]
	895 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 895 [label=0.000]
	896 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 896 [label=0.000]
	897 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 897 [label=0.000]
	898 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 898 [label=0.000]
	899 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 899 [label=0.000]
	900 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 900 [label=0.000]
	901 [color=aquamarine shape=rarrow style=filled]
	"162 | O=C1C[C@H]2SC=CCN12" -> 901 [label=0.000]
	902 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 902 [label=0.000]
	903 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 903 [label=0.000]
	904 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 904 [label=0.000]
	905 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 905 [label=0.000]
	906 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 906 [label=0.000]
	907 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 907 [label=0.000]
	908 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 908 [label=0.000]
	909 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 909 [label=0.000]
	910 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 910 [label=0.000]
	911 [color=aquamarine shape=rarrow style=filled]
	"164 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 911 [label=0.000]
	912 [color=aquamarine shape=rarrow style=filled]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 912 [label=0.000]
	913 [color=aquamarine shape=rarrow style=filled]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 913 [label=0.000]
	914 [color=aquamarine shape=rarrow style=filled]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 914 [label=0.000]
	915 [color=aquamarine shape=rarrow style=filled]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 915 [label=0.000]
	916 [color=aquamarine shape=rarrow style=filled]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 916 [label=0.000]
	917 [color=aquamarine shape=rarrow style=filled]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 917 [label=0.000]
	918 [color=aquamarine shape=rarrow style=filled]
	"165 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 918 [label=0.000]
	919 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 919 [label=0.000]
	920 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 920 [label=0.000]
	921 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 921 [label=0.000]
	922 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 922 [label=0.000]
	923 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 923 [label=0.000]
	924 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 924 [label=0.000]
	925 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 925 [label=0.000]
	926 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 926 [label=0.000]
	927 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 927 [label=0.000]
	928 [color=aquamarine shape=rarrow style=filled]
	"166 | NC[C@H]1SC=CCN1C(=O)Cl" -> 928 [label=0.000]
	929 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 929 [label=0.000]
	930 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 930 [label=0.000]
	931 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 931 [label=0.000]
	932 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 932 [label=0.000]
	933 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 933 [label=0.000]
	934 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 934 [label=0.000]
	935 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 935 [label=0.000]
	936 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 936 [label=0.000]
	937 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 937 [label=0.000]
	938 [color=aquamarine shape=rarrow style=filled]
	"168 | O=C1C(=O)N2CC=CS[C@H]12" -> 938 [label=0.000]
	939 [color=aquamarine shape=rarrow style=filled]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 939 [label=0.000]
	940 [color=aquamarine shape=rarrow style=filled]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 940 [label=0.000]
	941 [color=aquamarine shape=rarrow style=filled]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 941 [label=0.000]
	942 [color=aquamarine shape=rarrow style=filled]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 942 [label=0.000]
	943 [color=aquamarine shape=rarrow style=filled]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 943 [label=0.000]
	944 [color=aquamarine shape=rarrow style=filled]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 944 [label=0.000]
	945 [color=aquamarine shape=rarrow style=filled]
	"169 | CC(C)(C)OC(=O)NC1C(=O)N2CC=CS[C@H]12" -> 945 [label=0.000]
	946 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 946 [label=0.000]
	947 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 947 [label=0.000]
	948 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 948 [label=0.000]
	949 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 949 [label=0.000]
	950 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 950 [label=0.000]
	951 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 951 [label=0.000]
	952 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 952 [label=0.000]
	953 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 953 [label=0.000]
	954 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 954 [label=0.000]
	955 [color=aquamarine shape=rarrow style=filled]
	"170 | NC[C@H]1SC=CCN1C(=O)O" -> 955 [label=0.000]
	956 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 956 [label=0.000]
	957 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 957 [label=0.000]
	958 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 958 [label=0.000]
	959 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 959 [label=0.000]
	960 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 960 [label=0.000]
	961 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 961 [label=0.000]
	962 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 962 [label=0.000]
	963 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 963 [label=0.000]
	964 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 964 [label=0.000]
	965 [color=aquamarine shape=rarrow style=filled]
	"171 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C=O" -> 965 [label=0.000]
	966 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 966 [label=0.000]
	967 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 967 [label=0.000]
	968 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 968 [label=0.000]
	969 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 969 [label=0.000]
	970 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 970 [label=0.000]
	971 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 971 [label=0.000]
	972 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 972 [label=0.000]
	973 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 973 [label=0.000]
	974 [color=aquamarine shape=rarrow style=filled]
	"172 | O=NC1C(=O)N2CC=CS[C@H]12" -> 974 [label=0.000]
	975 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 975 [label=0.000]
	976 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 976 [label=0.000]
	977 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 977 [label=0.000]
	978 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 978 [label=0.000]
	979 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 979 [label=0.000]
	980 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 980 [label=0.000]
	981 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 981 [label=0.000]
	982 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 982 [label=0.000]
	983 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 983 [label=0.000]
	984 [color=aquamarine shape=rarrow style=filled]
	"174 | NC[C@@H]1NCC=CS1" -> 984 [label=0.000]
	985 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 985 [label=0.000]
	986 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 986 [label=0.000]
	987 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 987 [label=0.000]
	988 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 988 [label=0.000]
	989 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 989 [label=0.000]
	990 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 990 [label=0.000]
	991 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 991 [label=0.000]
	992 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 992 [label=0.000]
	993 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 993 [label=0.000]
	994 [color=aquamarine shape=rarrow style=filled]
	"175 | NC(C(=O)O)[C@@H]1NCC=CS1" -> 994 [label=0.000]
	995 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 995 [label=0.000]
	996 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 996 [label=0.000]
	997 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 997 [label=0.000]
	998 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 998 [label=0.000]
	999 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 999 [label=0.000]
	1000 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 1000 [label=0.000]
	1001 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 1001 [label=0.000]
	1002 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 1002 [label=0.000]
	1003 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 1003 [label=0.000]
	1004 [color=aquamarine shape=rarrow style=filled]
	"178 | O=C(O)C1C=CSCN1" -> 1004 [label=0.000]
	1005 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1005 [label=0.000]
	1006 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1006 [label=0.000]
	1007 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1007 [label=0.000]
	1008 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1008 [label=0.000]
	1009 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1009 [label=0.000]
	1010 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1010 [label=0.000]
	1011 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1011 [label=0.000]
	1012 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1012 [label=0.000]
	1013 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1013 [label=0.000]
	1014 [color=aquamarine shape=rarrow style=filled]
	"179 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1014 [label=0.000]
	1015 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1015 [label=0.000]
	1016 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1016 [label=0.000]
	1017 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1017 [label=0.000]
	1018 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1018 [label=0.000]
	1019 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1019 [label=0.000]
	1020 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1020 [label=0.000]
	1021 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1021 [label=0.000]
	1022 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1022 [label=0.000]
	1023 [color=aquamarine shape=rarrow style=filled]
	"181 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1023 [label=0.000]
	1024 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1024 [label=0.000]
	1025 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1025 [label=0.000]
	1026 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1026 [label=0.000]
	1027 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1027 [label=0.000]
	1028 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1028 [label=0.000]
	1029 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1029 [label=0.000]
	1030 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1030 [label=0.000]
	1031 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1031 [label=0.000]
	1032 [color=aquamarine shape=rarrow style=filled]
	"182 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1032 [label=0.000]
	1033 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1033 [label=0.000]
	1034 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1034 [label=0.000]
	1035 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1035 [label=0.000]
	1036 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1036 [label=0.000]
	1037 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1037 [label=0.000]
	1038 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1038 [label=0.000]
	1039 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1039 [label=0.000]
	1040 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1040 [label=0.000]
	1041 [color=aquamarine shape=rarrow style=filled]
	"183 | O=C(O)C1C=CS[C@H](C(N[O-])C(=O)O)N1" -> 1041 [label=0.000]
	1042 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1042 [label=0.000]
	1043 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1043 [label=0.000]
	1044 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1044 [label=0.000]
	1045 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1045 [label=0.000]
	1046 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1046 [label=0.000]
	1047 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1047 [label=0.000]
	1048 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1048 [label=0.000]
	1049 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1049 [label=0.000]
	1050 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1050 [label=0.000]
	1051 [color=aquamarine shape=rarrow style=filled]
	"185 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" -> 1051 [label=0.000]
	1052 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1052 [label=0.000]
	1053 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1053 [label=0.000]
	1054 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1054 [label=0.000]
	1055 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1055 [label=0.000]
	1056 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1056 [label=0.000]
	1057 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1057 [label=0.000]
	1058 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1058 [label=0.000]
	1059 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1059 [label=0.000]
	1060 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1060 [label=0.000]
	1061 [color=aquamarine shape=rarrow style=filled]
	"186 | O=C(O)C1C=CSCN1" -> 1061 [label=0.000]
	1062 [color=lightblue shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1062 [label=0.000]
	1063 [color=lightblue shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1063 [label=0.000]
	1064 [color=aquamarine shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1064 [label=0.000]
	1065 [color=lightblue shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1065 [label=0.000]
	1066 [color=lightblue shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1066 [label=0.000]
	1067 [color=aquamarine shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1067 [label=0.000]
	1068 [color=aquamarine shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1068 [label=0.000]
	1069 [color=aquamarine shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1069 [label=0.000]
	1070 [color=lightblue shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1070 [label=0.000]
	1071 [color=aquamarine shape=rarrow style=filled]
	"187 | NC(Br)C(=O)O" -> 1071 [label=0.000]
	1072 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1072 [label=0.000]
	1073 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1073 [label=0.000]
	1074 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1074 [label=0.000]
	1075 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1075 [label=0.000]
	1076 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1076 [label=0.000]
	1077 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1077 [label=0.000]
	1078 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1078 [label=0.000]
	1079 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1079 [label=0.000]
	1080 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1080 [label=0.000]
	1081 [color=aquamarine shape=rarrow style=filled]
	"189 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" -> 1081 [label=0.000]
	1082 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1082 [label=0.000]
	1083 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1083 [label=0.000]
	1084 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1084 [label=0.000]
	1085 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1085 [label=0.000]
	1086 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1086 [label=0.000]
	1087 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1087 [label=0.000]
	1088 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1088 [label=0.000]
	1089 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1089 [label=0.000]
	1090 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1090 [label=0.000]
	1091 [color=aquamarine shape=rarrow style=filled]
	"190 | CNC(C(=O)O)[C@@H]1NC(C(=O)O)C=CS1" -> 1091 [label=0.000]
	1092 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1092 [label=0.000]
	1093 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1093 [label=0.000]
	1094 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1094 [label=0.000]
	1095 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1095 [label=0.000]
	1096 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1096 [label=0.000]
	1097 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1097 [label=0.000]
	1098 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1098 [label=0.000]
	1099 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1099 [label=0.000]
	1100 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1100 [label=0.000]
	1101 [color=aquamarine shape=rarrow style=filled]
	"191 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1101 [label=0.000]
	1102 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1102 [label=0.000]
	1103 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1103 [label=0.000]
	1104 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1104 [label=0.000]
	1105 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1105 [label=0.000]
	1106 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1106 [label=0.000]
	1107 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1107 [label=0.000]
	1108 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1108 [label=0.000]
	1109 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1109 [label=0.000]
	1110 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1110 [label=0.000]
	1111 [color=aquamarine shape=rarrow style=filled]
	"192 | O=C1C[C@H]2SC=CCN12" -> 1111 [label=0.000]
	1112 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1112 [label=0.000]
	1113 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1113 [label=0.000]
	1114 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1114 [label=0.000]
	1115 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1115 [label=0.000]
	1116 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1116 [label=0.000]
	1117 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1117 [label=0.000]
	1118 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1118 [label=0.000]
	1119 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1119 [label=0.000]
	1120 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1120 [label=0.000]
	1121 [color=aquamarine shape=rarrow style=filled]
	"194 | CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1121 [label=0.000]
	1122 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1122 [label=0.000]
	1123 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1123 [label=0.000]
	1124 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1124 [label=0.000]
	1125 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1125 [label=0.000]
	1126 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1126 [label=0.000]
	1127 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1127 [label=0.000]
	1128 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1128 [label=0.000]
	1129 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1129 [label=0.000]
	1130 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1130 [label=0.000]
	1131 [color=aquamarine shape=rarrow style=filled]
	"195 | O=C(Cl)C[C@@H]1NC(C(=O)O)C=CS1" -> 1131 [label=0.000]
	1132 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1132 [label=0.000]
	1133 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1133 [label=0.000]
	1134 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1134 [label=0.000]
	1135 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1135 [label=0.000]
	1136 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1136 [label=0.000]
	1137 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1137 [label=0.000]
	1138 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1138 [label=0.000]
	1139 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1139 [label=0.000]
	1140 [color=aquamarine shape=rarrow style=filled]
	"196 | O=C1C[C@@H](SC=CC(O)C(=O)O)N1" -> 1140 [label=0.000]
	1141 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1141 [label=0.000]
	1142 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1142 [label=0.000]
	1143 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1143 [label=0.000]
	1144 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1144 [label=0.000]
	1145 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1145 [label=0.000]
	1146 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1146 [label=0.000]
	1147 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1147 [label=0.000]
	1148 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1148 [label=0.000]
	1149 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1149 [label=0.000]
	1150 [color=aquamarine shape=rarrow style=filled]
	"197 | CCOC(=O)C[C@@H]1NC(C(=O)O)C=CS1" -> 1150 [label=0.000]
	1151 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1151 [label=0.000]
	1152 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1152 [label=0.000]
	1153 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1153 [label=0.000]
	1154 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1154 [label=0.000]
	1155 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1155 [label=0.000]
	1156 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1156 [label=0.000]
	1157 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1157 [label=0.000]
	1158 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1158 [label=0.000]
	1159 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1159 [label=0.000]
	1160 [color=aquamarine shape=rarrow style=filled]
	"198 | O=C1C[C@@H](SC=CC(=O)C(=O)O)N1" -> 1160 [label=0.000]
	1161 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1161 [label=0.000]
	1162 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1162 [label=0.000]
	1163 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1163 [label=0.000]
	1164 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1164 [label=0.000]
	1165 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1165 [label=0.000]
	1166 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1166 [label=0.000]
	1167 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1167 [label=0.000]
	1168 [color=aquamarine shape=rarrow style=filled]
	"199 | O=CCC(C(=O)O)N1C(=O)C[C@H]1S" -> 1168 [label=0.000]
	1169 [color=aquamarine shape=rarrow style=filled]
	"200 | [CH][S]" -> 1169 [label=0.000]
	1170 [color=aquamarine shape=rarrow style=filled]
	"200 | [CH][S]" -> 1170 [label=0.000]
	1171 [color=aquamarine shape=rarrow style=filled]
	"200 | [CH][S]" -> 1171 [label=0.000]
	1172 [color=lightblue shape=rarrow style=filled]
	"200 | [CH][S]" -> 1172 [label=0.000]
	1173 [color=lightblue shape=rarrow style=filled]
	"200 | [CH][S]" -> 1173 [label=0.000]
	1174 [color=lightblue shape=rarrow style=filled]
	"200 | [CH][S]" -> 1174 [label=0.000]
	1175 [color=aquamarine shape=rarrow style=filled]
	"200 | [CH][S]" -> 1175 [label=0.000]
	1176 [color=aquamarine shape=rarrow style=filled]
	"200 | [CH][S]" -> 1176 [label=0.000]
	1177 [color=aquamarine shape=rarrow style=filled]
	"200 | [CH][S]" -> 1177 [label=0.000]
	1178 [color=aquamarine shape=rarrow style=filled]
	"200 | [CH][S]" -> 1178 [label=0.000]
	1179 [color=lightblue shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1179 [label=0.000]
	1180 [color=lightblue shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1180 [label=0.000]
	1181 [color=aquamarine shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1181 [label=0.000]
	1182 [color=lightblue shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1182 [label=0.000]
	1183 [color=lightblue shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1183 [label=0.000]
	1184 [color=lightblue shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1184 [label=0.000]
	1185 [color=lightblue shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1185 [label=0.000]
	1186 [color=aquamarine shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1186 [label=0.000]
	1187 [color=lightblue shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1187 [label=0.000]
	1188 [color=aquamarine shape=rarrow style=filled]
	"201 | [CH]C(C(=O)O)N1[CH]CC1=O" -> 1188 [label=0.000]
	"1605 | O=C(O)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	892 -> "1605 | O=C(O)C[C@@H]1NCC=CS1" [label=""]
	"1606 | O=C1C[C@@H](SC=CCBr)N1" [color=lightgrey shape=box style=filled]
	893 -> "1606 | O=C1C[C@@H](SC=CCBr)N1" [label=""]
	"1607 | C=CCBr" [color=lightyellow shape=box style=filled]
	894 -> "1607 | C=CCBr" [label=""]
	"1608 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	894 -> "1608 | O=C1C[C@@H](S)N1" [label=""]
	"1609 | O=CCCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	895 -> "1609 | O=CCCN1C(=O)C[C@H]1S" [label=""]
	"1610 | O=C1CCSC=CCN1" [color=lightgrey shape=box style=filled]
	896 -> "1610 | O=C1CCSC=CCN1" [label=""]
	"1611 | O=C1CC(=O)SC=CCN1" [color=lightgrey shape=box style=filled]
	897 -> "1611 | O=C1CC(=O)SC=CCN1" [label=""]
	"1612 | O=C1CCSC=C(Br)CN1" [color=lightgrey shape=box style=filled]
	898 -> "1612 | O=C1CCSC=C(Br)CN1" [label=""]
	"1613 | C=CCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	899 -> "1613 | C=CCN1C(=O)C[C@H]1S" [label=""]
	"1614 | O=C=CCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	900 -> "1614 | O=C=CCN1C(=O)C[C@H]1S" [label=""]
	"1615 | CCCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	901 -> "1615 | CCCN1C(=O)C[C@H]1S" [label=""]
	"1616 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	902 -> "1616 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1617 | CC(C)(C)OC(=O)NC(CNCC=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	903 -> "1617 | CC(C)(C)OC(=O)NC(CNCC=CS)C(=O)O" [label=""]
	"1618 | O=C(O)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	904 -> "1618 | O=C(O)C[C@@H]1NCC=CS1" [label=""]
	"1619 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	904 -> "1619 | CC(C)(C)OC(N)=O" [label=""]
	"1620 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	905 -> "1620 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1621 | O=C(O)C(N[O-])[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	906 -> "1621 | O=C(O)C(N[O-])[C@@H]1NCC=CS1" [label=""]
	"1622 | N" [color=lightyellow shape=box style=filled]
	907 -> "1622 | N" [label=""]
	"1623 | O=C(O)C(=O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	907 -> "1623 | O=C(O)C(=O)[C@@H]1NCC=CS1" [label=""]
	"1624 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	908 -> "1624 | NCC(=O)O" [label=""]
	"1625 | C1=CS[C@H](Cc2ccccc2)NC1" [color=lightgrey shape=box style=filled]
	908 -> "1625 | C1=CS[C@H](Cc2ccccc2)NC1" [label=""]
	"1626 | C1=CSCNC1" [color=lightgrey shape=box style=filled]
	909 -> "1626 | C1=CSCNC1" [label=""]
	"1627 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	909 -> "1627 | NC(=O)C(=O)O" [label=""]
	"1628 | CNC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	910 -> "1628 | CNC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1629 | NC(CNCCCS)C(=O)O" [color=lightgrey shape=box style=filled]
	911 -> "1629 | NC(CNCCCS)C(=O)O" [label=""]
	"1630 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	912 -> "1630 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1631 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	913 -> "1631 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"1632 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	913 -> "1632 | CC(C)(C)OC(N)=O" [label=""]
	"1633 | CCCN1C(=O)C(NC(=O)OC(C)(C)C)[C@H]1S" [color=lightgrey shape=box style=filled]
	914 -> "1633 | CCCN1C(=O)C(NC(=O)OC(C)(C)C)[C@H]1S" [label=""]
	"1634 | CC(C)(C)OC(=O)NC(C(=O)Cl)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	915 -> "1634 | CC(C)(C)OC(=O)NC(C(=O)Cl)[C@@H]1NCC=CS1" [label=""]
	"1635 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	916 -> "1635 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"1636 | CC(C)(C)OC(=O)NC1C(=O)N(CCC=O)[C@@H]1S" [color=lightgrey shape=box style=filled]
	917 -> "1636 | CC(C)(C)OC(=O)NC1C(=O)N(CCC=O)[C@@H]1S" [label=""]
	"1637 | O=CO" [color=lightyellow shape=box style=filled]
	918 -> "1637 | O=CO" [label=""]
	"1638 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	918 -> "1638 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1639 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	919 -> "1639 | O=C(Cl)Cl" [label=""]
	"1640 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	919 -> "1640 | NC[C@@H]1NCC=CS1" [label=""]
	"1641 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	920 -> "1641 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1642 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	920 -> "1642 | O=C(Cl)Cl" [label=""]
	"1643 | CC(C)(C)OC(=O)NCCSC=CCNC(=O)Cl" [color=lightgrey shape=box style=filled]
	921 -> "1643 | CC(C)(C)OC(=O)NCCSC=CCNC(=O)Cl" [label=""]
	"1644 | CC(C)(C)OC(=O)C(N)CSC=CCNC(=O)Cl" [color=lightgrey shape=box style=filled]
	922 -> "1644 | CC(C)(C)OC(=O)C(N)CSC=CCNC(=O)Cl" [label=""]
	"1645 | [CH]S[CH]CN" [color=lightgrey shape=box style=filled]
	923 -> "1645 | [CH]S[CH]CN" [label=""]
	"1646 | [CH]C[N]C(=O)Cl" [color=lightgrey shape=box style=filled]
	923 -> "1646 | [CH]C[N]C(=O)Cl" [label=""]
	"1647 | O=C(Cl)NCC=CSCCNBr" [color=lightgrey shape=box style=filled]
	924 -> "1647 | O=C(Cl)NCC=CSCCNBr" [label=""]
	"1648 | NC(=O)CSC=CCNC(=O)Cl" [color=lightgrey shape=box style=filled]
	925 -> "1648 | NC(=O)CSC=CCNC(=O)Cl" [label=""]
	"1649 | O=CCNC(=O)Cl" [color=lightgrey shape=box style=filled]
	926 -> "1649 | O=CCNC(=O)Cl" [label=""]
	"1650 | CSCCN" [color=lightyellow shape=box style=filled]
	926 -> "1650 | CSCCN" [label=""]
	"1651 | CSCCN" [color=lightyellow shape=box style=filled]
	927 -> "1651 | CSCCN" [label=""]
	"1652 | O=C(Cl)NCCO" [color=lightgrey shape=box style=filled]
	927 -> "1652 | O=C(Cl)NCCO" [label=""]
	"1653 | C=CNC(=O)Cl" [color=lightgrey shape=box style=filled]
	928 -> "1653 | C=CNC(=O)Cl" [label=""]
	"1654 | CSCCN" [color=lightyellow shape=box style=filled]
	928 -> "1654 | CSCCN" [label=""]
	"1655 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	929 -> "1655 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"1656 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	929 -> "1656 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1657 | O=C(O)C(=O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	930 -> "1657 | O=C(O)C(=O)[C@@H]1NCC=CS1" [label=""]
	"1658 | O=CN1CC=CS[C@@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	931 -> "1658 | O=CN1CC=CS[C@@H]1C(=O)O" [label=""]
	"1659 | O=CO" [color=lightyellow shape=box style=filled]
	932 -> "1659 | O=CO" [label=""]
	"1660 | O=C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	932 -> "1660 | O=C[C@@H]1NCC=CS1" [label=""]
	"1661 | O=C[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	933 -> "1661 | O=C[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"1662 | O=C(Cl)C(=O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	934 -> "1662 | O=C(Cl)C(=O)[C@@H]1NCC=CS1" [label=""]
	"1663 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	935 -> "1663 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1664 | OO" [color=lightyellow shape=box style=filled]
	935 -> "1664 | OO" [label=""]
	"1665 | O=CN1CC=CS[C@@H]1C(=O)Cl" [color=lightgrey shape=box style=filled]
	936 -> "1665 | O=CN1CC=CS[C@@H]1C(=O)Cl" [label=""]
	"1666 | O=C(O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	937 -> "1666 | O=C(O)[C@@H]1NCC=CS1" [label=""]
	"1667 | C=O" [color=lightyellow shape=box style=filled]
	937 -> "1667 | C=O" [label=""]
	"1668 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	938 -> "1668 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1669 | CN(C)O" [color=lightyellow shape=box style=filled]
	938 -> "1669 | CN(C)O" [label=""]
	"1670 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	939 -> "1670 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1671 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	940 -> "1671 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"1672 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	940 -> "1672 | CC(C)(C)OC(N)=O" [label=""]
	"1673 | CCCN1C(=O)C(NC(=O)OC(C)(C)C)[C@H]1S" [color=lightgrey shape=box style=filled]
	941 -> "1673 | CCCN1C(=O)C(NC(=O)OC(C)(C)C)[C@H]1S" [label=""]
	"1674 | CC(C)(C)OC(=O)NC(C(=O)Cl)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	942 -> "1674 | CC(C)(C)OC(=O)NC(C(=O)Cl)[C@@H]1NCC=CS1" [label=""]
	"1675 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	943 -> "1675 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"1676 | CC(C)(C)OC(=O)NC1C(=O)N(CCC=O)[C@@H]1S" [color=lightgrey shape=box style=filled]
	944 -> "1676 | CC(C)(C)OC(=O)NC1C(=O)N(CCC=O)[C@@H]1S" [label=""]
	"1677 | O=CO" [color=lightyellow shape=box style=filled]
	945 -> "1677 | O=CO" [label=""]
	"1678 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	945 -> "1678 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1679 | NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	946 -> "1679 | NC[C@@H]1NCC=CS1" [label=""]
	"1680 | O=C=O" [color=lightyellow shape=box style=filled]
	946 -> "1680 | O=C=O" [label=""]
	"1681 | CC(C)(C)OC(=O)NCCSC=CCNC(=O)O" [color=lightgrey shape=box style=filled]
	947 -> "1681 | CC(C)(C)OC(=O)NCCSC=CCNC(=O)O" [label=""]
	"1682 | [CH]S[CH]CN" [color=lightgrey shape=box style=filled]
	948 -> "1682 | [CH]S[CH]CN" [label=""]
	"1683 | [CH]C[N]C(=O)O" [color=lightgrey shape=box style=filled]
	948 -> "1683 | [CH]C[N]C(=O)O" [label=""]
	"1684 | O=C(O)N1CC=CS[C@@H]1CN[O-]" [color=lightgrey shape=box style=filled]
	949 -> "1684 | O=C(O)N1CC=CS[C@@H]1CN[O-]" [label=""]
	"1685 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	950 -> "1685 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1686 | O=C=O" [color=lightyellow shape=box style=filled]
	950 -> "1686 | O=C=O" [label=""]
	"1687 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C(=O)O" [color=lightgrey shape=box style=filled]
	951 -> "1687 | CC(C)(C)OC(=O)NC[C@H]1SC=CCN1C(=O)O" [label=""]
	"1688 | O=C=O" [color=lightyellow shape=box style=filled]
	952 -> "1688 | O=C=O" [label=""]
	"1689 | NCC=CSCCN" [color=lightgrey shape=box style=filled]
	952 -> "1689 | NCC=CSCCN" [label=""]
	"1690 | O=C(NC[C@H]1SC=CCN1C(=O)O)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	953 -> "1690 | O=C(NC[C@H]1SC=CCN1C(=O)O)OCc1ccccc1" [label=""]
	"1691 | C=CCN(C(=O)O)[C@H](S)CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	954 -> "1691 | C=CCN(C(=O)O)[C@H](S)CNC(=O)OC(C)(C)C" [label=""]
	"1692 | CC(C)(C)OC(=O)C(N)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	955 -> "1692 | CC(C)(C)OC(=O)C(N)[C@@H]1NCC=CS1" [label=""]
	"1693 | O=C=O" [color=lightyellow shape=box style=filled]
	955 -> "1693 | O=C=O" [label=""]
	"1694 | O=CO" [color=lightyellow shape=box style=filled]
	956 -> "1694 | O=CO" [label=""]
	"1695 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	956 -> "1695 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1696 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	957 -> "1696 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1697 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	957 -> "1697 | CN(C)C=O" [label=""]
	"1698 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	958 -> "1698 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1699 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	958 -> "1699 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"1700 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	959 -> "1700 | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C" [label=""]
	"1701 | NC[C@H]1SC=CCN1C=O" [color=lightgrey shape=box style=filled]
	959 -> "1701 | NC[C@H]1SC=CCN1C=O" [label=""]
	"1702 | CC(C)(C)OC(=O)NCC(=O)SC=CCNC=O" [color=lightgrey shape=box style=filled]
	960 -> "1702 | CC(C)(C)OC(=O)NCC(=O)SC=CCNC=O" [label=""]
	"1703 | CC(C)(C)OC(=O)NCCSC=CCN=C=O" [color=lightgrey shape=box style=filled]
	961 -> "1703 | CC(C)(C)OC(=O)NCCSC=CCN=C=O" [label=""]
	"1704 | O=CO" [color=lightyellow shape=box style=filled]
	962 -> "1704 | O=CO" [label=""]
	"1705 | CC(C)(C)OC(=O)NCCSC=CCN" [color=lightgrey shape=box style=filled]
	962 -> "1705 | CC(C)(C)OC(=O)NCCSC=CCN" [label=""]
	"1706 | [CH]S[CH]CNC(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	963 -> "1706 | [CH]S[CH]CNC(=O)OC(C)(C)C" [label=""]
	"1707 | [CH]C[N]C=O" [color=lightgrey shape=box style=filled]
	963 -> "1707 | [CH]C[N]C=O" [label=""]
	"1708 | CC(C)(C)OC(=O)NCCSC=CCNC=O" [color=lightgrey shape=box style=filled]
	964 -> "1708 | CC(C)(C)OC(=O)NCCSC=CCNC=O" [label=""]
	"1709 | CC(C)(C)OC(=O)NC[CH]SC=CC[N]" [color=lightgrey shape=box style=filled]
	965 -> "1709 | CC(C)(C)OC(=O)NC[CH]SC=CC[N]" [label=""]
	"1710 | [CH]=O" [color=lightgrey shape=box style=filled]
	965 -> "1710 | [CH]=O" [label=""]
	"1711 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	966 -> "1711 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1712 | O=NO" [color=lightyellow shape=box style=filled]
	966 -> "1712 | O=NO" [label=""]
	"1713 | O=NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	967 -> "1713 | O=NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1714 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	968 -> "1714 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1715 | CCON=O" [color=lightgrey shape=box style=filled]
	968 -> "1715 | CCON=O" [label=""]
	"1716 | O=NCl" [color=lightgrey shape=box style=filled]
	969 -> "1716 | O=NCl" [label=""]
	"1717 | O=C1C[C@H]2SC=CCN12" [color=lightgrey shape=box style=filled]
	969 -> "1717 | O=C1C[C@H]2SC=CCN12" [label=""]
	"1718 | O=NC1C(=O)N[C@@H]1SC=CCBr" [color=lightgrey shape=box style=filled]
	970 -> "1718 | O=NC1C(=O)N[C@@H]1SC=CCBr" [label=""]
	"1719 | O=NC[C@H]1SC=CCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	971 -> "1719 | O=NC[C@H]1SC=CCN1C(=O)Cl" [label=""]
	"1720 | O=C1C(=O)N2CC=CS[C@H]12" [color=lightgrey shape=box style=filled]
	972 -> "1720 | O=C1C(=O)N2CC=CS[C@H]12" [label=""]
	"1721 | N=O" [color=lightgrey shape=box style=filled]
	972 -> "1721 | N=O" [label=""]
	"1722 | O=NC1C(=O)N[C@@H]1SC=CCO" [color=lightgrey shape=box style=filled]
	973 -> "1722 | O=NC1C(=O)N[C@@H]1SC=CCO" [label=""]
	"1723 | CCOC(=O)C(N=O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	974 -> "1723 | CCOC(=O)C(N=O)[C@@H]1NCC=CS1" [label=""]
	"1724 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	975 -> "1724 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1725 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	976 -> "1725 | CC(C)(C)OC(=O)NC[C@@H]1NCC=CS1" [label=""]
	"1726 | NC[C@@H]1NCC=C(Br)S1" [color=lightgrey shape=box style=filled]
	977 -> "1726 | NC[C@@H]1NCC=C(Br)S1" [label=""]
	"1727 | [O-]NC[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	978 -> "1727 | [O-]NC[C@@H]1NCC=CS1" [label=""]
	"1728 | NC[C@@H]1NCC=C(Br)S1" [color=lightgrey shape=box style=filled]
	979 -> "1728 | NC[C@@H]1NCC=C(Br)S1" [label=""]
	"1729 | C1=CSCNC1" [color=lightgrey shape=box style=filled]
	980 -> "1729 | C1=CSCNC1" [label=""]
	"1730 | NC=O" [color=lightyellow shape=box style=filled]
	980 -> "1730 | NC=O" [label=""]
	"1731 | O=C1c2ccccc2C(=O)N1C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	981 -> "1731 | O=C1c2ccccc2C(=O)N1C[C@@H]1NCC=CS1" [label=""]
	"1732 | NC[C]NCC=C[S]" [color=lightgrey shape=box style=filled]
	982 -> "1732 | NC[C]NCC=C[S]" [label=""]
	"1733 | O=C(NC[C@@H]1NCC=CS1)OCc1ccccc1" [color=lightgrey shape=box style=filled]
	983 -> "1733 | O=C(NC[C@@H]1NCC=CS1)OCc1ccccc1" [label=""]
	"1734 | [N]C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	984 -> "1734 | [N]C[C@@H]1NCC=CS1" [label=""]
	"1735 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	985 -> "1735 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1736 | CC(C)(C)OC(=O)NC(CNCC=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	986 -> "1736 | CC(C)(C)OC(=O)NC(CNCC=CS)C(=O)O" [label=""]
	"1737 | O=C(O)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	987 -> "1737 | O=C(O)C[C@@H]1NCC=CS1" [label=""]
	"1738 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	987 -> "1738 | CC(C)(C)OC(N)=O" [label=""]
	"1739 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	988 -> "1739 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1740 | O=C(O)C(N[O-])[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	989 -> "1740 | O=C(O)C(N[O-])[C@@H]1NCC=CS1" [label=""]
	"1741 | N" [color=lightyellow shape=box style=filled]
	990 -> "1741 | N" [label=""]
	"1742 | O=C(O)C(=O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	990 -> "1742 | O=C(O)C(=O)[C@@H]1NCC=CS1" [label=""]
	"1743 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	991 -> "1743 | NCC(=O)O" [label=""]
	"1744 | C1=CS[C@H](Cc2ccccc2)NC1" [color=lightgrey shape=box style=filled]
	991 -> "1744 | C1=CS[C@H](Cc2ccccc2)NC1" [label=""]
	"1745 | C1=CSCNC1" [color=lightgrey shape=box style=filled]
	992 -> "1745 | C1=CSCNC1" [label=""]
	"1746 | NC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	992 -> "1746 | NC(=O)C(=O)O" [label=""]
	"1747 | CNC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	993 -> "1747 | CNC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1748 | NC(CNCCCS)C(=O)O" [color=lightgrey shape=box style=filled]
	994 -> "1748 | NC(CNCCCS)C(=O)O" [label=""]
	"1749 | C1=CSCNC1" [color=lightgrey shape=box style=filled]
	995 -> "1749 | C1=CSCNC1" [label=""]
	"1750 | O=C=O" [color=lightyellow shape=box style=filled]
	995 -> "1750 | O=C=O" [label=""]
	"1751 | O=CCC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	996 -> "1751 | O=CCC(NCS)C(=O)O" [label=""]
	"1752 | CCC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	997 -> "1752 | CCC(NCS)C(=O)O" [label=""]
	"1753 | CC(=O)C(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	998 -> "1753 | CC(=O)C(NCS)C(=O)O" [label=""]
	"1754 | O=C(O)C(CCBr)NCS" [color=lightgrey shape=box style=filled]
	999 -> "1754 | O=C(O)C(CCBr)NCS" [label=""]
	"1755 | C=O" [color=lightyellow shape=box style=filled]
	1000 -> "1755 | C=O" [label=""]
	"1756 | CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1000 -> "1756 | CC(NCS)C(=O)O" [label=""]
	"1757 | [CH]" [color=lightgrey shape=box style=filled]
	1001 -> "1757 | [CH]" [label=""]
	"1758 | [CH]C(NC[S])C(=O)O" [color=lightgrey shape=box style=filled]
	1001 -> "1758 | [CH]C(NC[S])C(=O)O" [label=""]
	"1759 | O=CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1002 -> "1759 | O=CC(NCS)C(=O)O" [label=""]
	"1760 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1002 -> "1760 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"1761 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1003 -> "1761 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"1762 | CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1003 -> "1762 | CC(NCS)C(=O)O" [label=""]
	"1763 | O=CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1004 -> "1763 | O=CC(NCS)C(=O)O" [label=""]
	"1764 | C" [color=lightyellow shape=box style=filled]
	1004 -> "1764 | C" [label=""]
	"1765 | O=C(O)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1005 -> "1765 | O=C(O)C[C@@H]1NCC=CS1" [label=""]
	"1766 | O=C=O" [color=lightyellow shape=box style=filled]
	1005 -> "1766 | O=C=O" [label=""]
	"1767 | C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1006 -> "1767 | C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1768 | O=C=O" [color=lightyellow shape=box style=filled]
	1006 -> "1768 | O=C=O" [label=""]
	"1769 | O=C(O)CBr" [color=lightyellow shape=box style=filled]
	1007 -> "1769 | O=C(O)CBr" [label=""]
	"1770 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1007 -> "1770 | O=C(O)C1C=CSCN1" [label=""]
	"1771 | O=CCC(N[C@H](S)CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1008 -> "1771 | O=CCC(N[C@H](S)CC(=O)O)C(=O)O" [label=""]
	"1772 | [CH][S]" [color=lightgrey shape=box style=filled]
	1009 -> "1772 | [CH][S]" [label=""]
	"1773 | [CH]C(N[CH]CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1009 -> "1773 | [CH]C(N[CH]CC(=O)O)C(=O)O" [label=""]
	"1774 | CS" [color=lightyellow shape=box style=filled]
	1010 -> "1774 | CS" [label=""]
	"1775 | O=CC(NCCC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1010 -> "1775 | O=CC(NCCC(=O)O)C(=O)O" [label=""]
	"1776 | CCC(N[C@H](S)CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1011 -> "1776 | CCC(N[C@H](S)CC(=O)O)C(=O)O" [label=""]
	"1777 | O=C(O)CCNC(CCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1012 -> "1777 | O=C(O)CCNC(CCS)C(=O)O" [label=""]
	"1778 | O=C(O)CCNC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1013 -> "1778 | O=C(O)CCNC(C=CS)C(=O)O" [label=""]
	"1779 | O=C(O)C(Br)CNC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1014 -> "1779 | O=C(O)C(Br)CNC(C=CS)C(=O)O" [label=""]
	"1780 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	1015 -> "1780 | O=C(O)C1C=CSC=N1" [label=""]
	"1781 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	1015 -> "1781 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"1782 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1016 -> "1782 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1783 | O=C=O" [color=lightyellow shape=box style=filled]
	1016 -> "1783 | O=C=O" [label=""]
	"1784 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1017 -> "1784 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1785 | O=C=O" [color=lightyellow shape=box style=filled]
	1017 -> "1785 | O=C=O" [label=""]
	"1786 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	1018 -> "1786 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"1787 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	1018 -> "1787 | CC(C)(C)OC(N)=O" [label=""]
	"1788 | CC(C)(C)OC(=O)N[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	1019 -> "1788 | CC(C)(C)OC(=O)N[CH]C(=O)O" [label=""]
	"1789 | O=C(O)C1C=CS[C]N1" [color=lightgrey shape=box style=filled]
	1019 -> "1789 | O=C(O)C1C=CS[C]N1" [label=""]
	"1790 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	1020 -> "1790 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"1791 | O=C1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1020 -> "1791 | O=C1NC(C(=O)O)C=CS1" [label=""]
	"1792 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1021 -> "1792 | O=C(O)C1C=CSCN1" [label=""]
	"1793 | CC(C)(C)OC(=O)NC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1021 -> "1793 | CC(C)(C)OC(=O)NC(=O)C(=O)O" [label=""]
	"1794 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	1022 -> "1794 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"1795 | CC(C)(C)OC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1022 -> "1795 | CC(C)(C)OC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1796 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1023 -> "1796 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1797 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	1023 -> "1797 | CC(C)(C)OC(N)=O" [label=""]
	"1798 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	1024 -> "1798 | O=C(O)C1C=CSC=N1" [label=""]
	"1799 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	1024 -> "1799 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"1800 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1025 -> "1800 | CC(C)(C)OC(=O)NC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1801 | O=C=O" [color=lightyellow shape=box style=filled]
	1025 -> "1801 | O=C=O" [label=""]
	"1802 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1026 -> "1802 | CC(C)(C)OC(=O)NC[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1803 | O=C=O" [color=lightyellow shape=box style=filled]
	1026 -> "1803 | O=C=O" [label=""]
	"1804 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	1027 -> "1804 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"1805 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	1027 -> "1805 | CC(C)(C)OC(N)=O" [label=""]
	"1806 | CC(C)(C)OC(=O)N[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	1028 -> "1806 | CC(C)(C)OC(=O)N[CH]C(=O)O" [label=""]
	"1807 | O=C(O)C1C=CS[C]N1" [color=lightgrey shape=box style=filled]
	1028 -> "1807 | O=C(O)C1C=CS[C]N1" [label=""]
	"1808 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	1029 -> "1808 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"1809 | O=C1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1029 -> "1809 | O=C1NC(C(=O)O)C=CS1" [label=""]
	"1810 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1030 -> "1810 | O=C(O)C1C=CSCN1" [label=""]
	"1811 | CC(C)(C)OC(=O)NC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1030 -> "1811 | CC(C)(C)OC(=O)NC(=O)C(=O)O" [label=""]
	"1812 | CC(C)(C)OC(=O)NCC(=O)O" [color=lightyellow shape=box style=filled]
	1031 -> "1812 | CC(C)(C)OC(=O)NCC(=O)O" [label=""]
	"1813 | CC(C)(C)OC(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1031 -> "1813 | CC(C)(C)OC(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1814 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1032 -> "1814 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1815 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	1032 -> "1815 | CC(C)(C)OC(N)=O" [label=""]
	"1816 | O=C(O)C(=O)N[O-]" [color=lightgrey shape=box style=filled]
	1033 -> "1816 | O=C(O)C(=O)N[O-]" [label=""]
	"1817 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1033 -> "1817 | O=C(O)C1C=CSCN1" [label=""]
	"1818 | O=C(O)C=N[O-]" [color=lightgrey shape=box style=filled]
	1034 -> "1818 | O=C(O)C=N[O-]" [label=""]
	"1819 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1034 -> "1819 | O=C(O)C1C=CSCN1" [label=""]
	"1820 | O=C=O" [color=lightyellow shape=box style=filled]
	1035 -> "1820 | O=C=O" [label=""]
	"1821 | O=C(O)C(N[O-])[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1035 -> "1821 | O=C(O)C(N[O-])[C@@H]1NCC=CS1" [label=""]
	"1822 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1036 -> "1822 | O=C(O)C1C=CSCN1" [label=""]
	"1823 | O=C(O)C(Cl)N[O-]" [color=lightgrey shape=box style=filled]
	1036 -> "1823 | O=C(O)C(Cl)N[O-]" [label=""]
	"1824 | O=C(O)CN[O-]" [color=lightgrey shape=box style=filled]
	1037 -> "1824 | O=C(O)CN[O-]" [label=""]
	"1825 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1037 -> "1825 | O=C(O)C1C=CSCN1" [label=""]
	"1826 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	1038 -> "1826 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"1827 | N[O-]" [color=lightgrey shape=box style=filled]
	1038 -> "1827 | N[O-]" [label=""]
	"1828 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1039 -> "1828 | O=C(O)C1C=CSCN1" [label=""]
	"1829 | O=C(O)C(O)N[O-]" [color=lightgrey shape=box style=filled]
	1039 -> "1829 | O=C(O)C(O)N[O-]" [label=""]
	"1830 | O=C(O)C(=O)N[O-]" [color=lightgrey shape=box style=filled]
	1040 -> "1830 | O=C(O)C(=O)N[O-]" [label=""]
	"1831 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1040 -> "1831 | O=C(O)C1C=CSCN1" [label=""]
	"1832 | N[O-]" [color=lightgrey shape=box style=filled]
	1041 -> "1832 | N[O-]" [label=""]
	"1833 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1041 -> "1833 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1834 | O=CO" [color=lightyellow shape=box style=filled]
	1042 -> "1834 | O=CO" [label=""]
	"1835 | O=C(O)C1C=CS[C@H](C(=O)O)N1" [color=lightgrey shape=box style=filled]
	1042 -> "1835 | O=C(O)C1C=CS[C@H](C(=O)O)N1" [label=""]
	"1836 | O=C(O)C(=O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1043 -> "1836 | O=C(O)C(=O)[C@@H]1NCC=CS1" [label=""]
	"1837 | O=C=O" [color=lightyellow shape=box style=filled]
	1043 -> "1837 | O=C=O" [label=""]
	"1838 | O=C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1044 -> "1838 | O=C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1839 | O=C=O" [color=lightyellow shape=box style=filled]
	1044 -> "1839 | O=C=O" [label=""]
	"1840 | O=C(O)C1C=CS[C@H](C(=O)O)N1" [color=lightgrey shape=box style=filled]
	1045 -> "1840 | O=C(O)C1C=CS[C@H](C(=O)O)N1" [label=""]
	"1841 | O=C=O" [color=lightyellow shape=box style=filled]
	1045 -> "1841 | O=C=O" [label=""]
	"1842 | O=C(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1046 -> "1842 | O=C(O)C(=O)O" [label=""]
	"1843 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1046 -> "1843 | O=C(O)C1C=CSCN1" [label=""]
	"1844 | O=CO" [color=lightyellow shape=box style=filled]
	1047 -> "1844 | O=CO" [label=""]
	"1845 | O=C(O)C1C=CS[C@H](C(=O)Cl)N1" [color=lightgrey shape=box style=filled]
	1047 -> "1845 | O=C(O)C1C=CS[C@H](C(=O)Cl)N1" [label=""]
	"1846 | O=C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1048 -> "1846 | O=C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1847 | O=C(O)O" [color=lightyellow shape=box style=filled]
	1048 -> "1847 | O=C(O)O" [label=""]
	"1848 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	1049 -> "1848 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"1849 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1049 -> "1849 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1850 | O=[C][C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1050 -> "1850 | O=[C][C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1851 | O=C=O" [color=lightyellow shape=box style=filled]
	1050 -> "1851 | O=C=O" [label=""]
	"1852 | O=C(O)C1C=CS[C@H](C(=O)Cl)N1" [color=lightgrey shape=box style=filled]
	1051 -> "1852 | O=C(O)C1C=CS[C@H](C(=O)Cl)N1" [label=""]
	"1853 | O=C=O" [color=lightyellow shape=box style=filled]
	1051 -> "1853 | O=C=O" [label=""]
	"1854 | C1=CSCNC1" [color=lightgrey shape=box style=filled]
	1052 -> "1854 | C1=CSCNC1" [label=""]
	"1855 | O=C=O" [color=lightyellow shape=box style=filled]
	1052 -> "1855 | O=C=O" [label=""]
	"1856 | O=CCC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1053 -> "1856 | O=CCC(NCS)C(=O)O" [label=""]
	"1857 | CCC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1054 -> "1857 | CCC(NCS)C(=O)O" [label=""]
	"1858 | CC(=O)C(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1055 -> "1858 | CC(=O)C(NCS)C(=O)O" [label=""]
	"1859 | O=C(O)C(CCBr)NCS" [color=lightgrey shape=box style=filled]
	1056 -> "1859 | O=C(O)C(CCBr)NCS" [label=""]
	"1860 | C=O" [color=lightyellow shape=box style=filled]
	1057 -> "1860 | C=O" [label=""]
	"1861 | CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1057 -> "1861 | CC(NCS)C(=O)O" [label=""]
	"1862 | [CH]" [color=lightgrey shape=box style=filled]
	1058 -> "1862 | [CH]" [label=""]
	"1863 | [CH]C(NC[S])C(=O)O" [color=lightgrey shape=box style=filled]
	1058 -> "1863 | [CH]C(NC[S])C(=O)O" [label=""]
	"1864 | O=CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1059 -> "1864 | O=CC(NCS)C(=O)O" [label=""]
	"1865 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1059 -> "1865 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"1866 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1060 -> "1866 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"1867 | CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1060 -> "1867 | CC(NCS)C(=O)O" [label=""]
	"1868 | O=CC(NCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1061 -> "1868 | O=CC(NCS)C(=O)O" [label=""]
	"1869 | C" [color=lightyellow shape=box style=filled]
	1061 -> "1869 | C" [label=""]
	"1870 | O=C(O)CBr" [color=lightyellow shape=box style=filled]
	1062 -> "1870 | O=C(O)CBr" [label=""]
	"1871 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	1062 -> "1871 | CC(C)(C)OC(N)=O" [label=""]
	"1872 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	1063 -> "1872 | O=C1CCC(=O)N1Br" [label=""]
	"1873 | NCC(=O)O" [color=lightyellow shape=box style=filled]
	1063 -> "1873 | NCC(=O)O" [label=""]
	"1874 | N" [color=lightyellow shape=box style=filled]
	1064 -> "1874 | N" [label=""]
	"1875 | O=C(O)C=[Br+]" [color=lightgrey shape=box style=filled]
	1064 -> "1875 | O=C(O)C=[Br+]" [label=""]
	"1876 | O=C(O)CBr" [color=lightyellow shape=box style=filled]
	1065 -> "1876 | O=C(O)CBr" [label=""]
	"1877 | N" [color=lightyellow shape=box style=filled]
	1065 -> "1877 | N" [label=""]
	"1878 | O=C(O)CBr" [color=lightyellow shape=box style=filled]
	1066 -> "1878 | O=C(O)CBr" [label=""]
	"1879 | N" [color=lightyellow shape=box style=filled]
	1066 -> "1879 | N" [label=""]
	"1880 | CC(=O)O" [color=lightyellow shape=box style=filled]
	1067 -> "1880 | CC(=O)O" [label=""]
	"1881 | N" [color=lightyellow shape=box style=filled]
	1067 -> "1881 | N" [label=""]
	"1882 | OBr" [color=lightgrey shape=box style=filled]
	1067 -> "1882 | OBr" [label=""]
	"1883 | CC(=O)O" [color=lightyellow shape=box style=filled]
	1068 -> "1883 | CC(=O)O" [label=""]
	"1884 | N" [color=lightyellow shape=box style=filled]
	1068 -> "1884 | N" [label=""]
	"1885 | O=C(OBr)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	1068 -> "1885 | O=C(OBr)c1cccc(Cl)c1" [label=""]
	"1886 | O=C=O" [color=lightyellow shape=box style=filled]
	1069 -> "1886 | O=C=O" [label=""]
	"1887 | NCBr" [color=lightgrey shape=box style=filled]
	1069 -> "1887 | NCBr" [label=""]
	"1888 | N" [color=lightyellow shape=box style=filled]
	1070 -> "1888 | N" [label=""]
	"1889 | Br" [color=lightyellow shape=box style=filled]
	1070 -> "1889 | Br" [label=""]
	"1890 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	1070 -> "1890 | O=CC(=O)O" [label=""]
	"1891 | [CH]C(=O)O" [color=lightgrey shape=box style=filled]
	1071 -> "1891 | [CH]C(=O)O" [label=""]
	"1892 | [Br]" [color=lightyellow shape=box style=filled]
	1071 -> "1892 | [Br]" [label=""]
	"1893 | [NH2]" [color=lightyellow shape=box style=filled]
	1071 -> "1893 | [NH2]" [label=""]
	"1894 | O=C(O)C(O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1072 -> "1894 | O=C(O)C(O)[C@@H]1NCC=CS1" [label=""]
	"1895 | O=C=O" [color=lightyellow shape=box style=filled]
	1072 -> "1895 | O=C=O" [label=""]
	"1896 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1073 -> "1896 | O=C(O)C1C=CSCN1" [label=""]
	"1897 | O=CC(=O)O" [color=lightyellow shape=box style=filled]
	1073 -> "1897 | O=CC(=O)O" [label=""]
	"1898 | O=C(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1074 -> "1898 | O=C(O)C(=O)O" [label=""]
	"1899 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1074 -> "1899 | O=C(O)C1C=CSCN1" [label=""]
	"1900 | O=C(O)C1C=CS[C@H](CO)N1" [color=lightgrey shape=box style=filled]
	1075 -> "1900 | O=C(O)C1C=CS[C@H](CO)N1" [label=""]
	"1901 | O=C=O" [color=lightyellow shape=box style=filled]
	1075 -> "1901 | O=C=O" [label=""]
	"1902 | [CH][S]" [color=lightgrey shape=box style=filled]
	1076 -> "1902 | [CH][S]" [label=""]
	"1903 | [CH]C(N[CH]C(O)C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1076 -> "1903 | [CH]C(N[CH]C(O)C(=O)O)C(=O)O" [label=""]
	"1904 | O=CO" [color=lightyellow shape=box style=filled]
	1077 -> "1904 | O=CO" [label=""]
	"1905 | O=C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1077 -> "1905 | O=C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1906 | O=C(O)C(O)CNC(CCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1078 -> "1906 | O=C(O)C(O)CNC(CCS)C(=O)O" [label=""]
	"1907 | O=CCC(N[C@H](S)C(O)C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1079 -> "1907 | O=CCC(N[C@H](S)C(O)C(=O)O)C(=O)O" [label=""]
	"1908 | CCC(N[C@H](S)C(O)C(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1080 -> "1908 | CCC(N[C@H](S)C(O)C(=O)O)C(=O)O" [label=""]
	"1909 | O=C(O)C(O)CNC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1081 -> "1909 | O=C(O)C(O)CNC(C=CS)C(=O)O" [label=""]
	"1910 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	1082 -> "1910 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"1911 | CN" [color=lightyellow shape=box style=filled]
	1082 -> "1911 | CN" [label=""]
	"1912 | CNC(C(=O)O)[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1083 -> "1912 | CNC(C(=O)O)[C@@H]1NCC=CS1" [label=""]
	"1913 | O=C=O" [color=lightyellow shape=box style=filled]
	1083 -> "1913 | O=C=O" [label=""]
	"1914 | CN=CC(=O)O" [color=lightgrey shape=box style=filled]
	1084 -> "1914 | CN=CC(=O)O" [label=""]
	"1915 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1084 -> "1915 | O=C(O)C1C=CSCN1" [label=""]
	"1916 | CN" [color=lightyellow shape=box style=filled]
	1085 -> "1916 | CN" [label=""]
	"1917 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1085 -> "1917 | O=C(O)C(=O)[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1918 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [color=lightgrey shape=box style=filled]
	1086 -> "1918 | O=C(O)C1C=CS[C@H](C(O)C(=O)O)N1" [label=""]
	"1919 | NC=O" [color=lightyellow shape=box style=filled]
	1086 -> "1919 | NC=O" [label=""]
	"1920 | CNC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1087 -> "1920 | CNC(=O)C(=O)O" [label=""]
	"1921 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1087 -> "1921 | O=C(O)C1C=CSCN1" [label=""]
	"1922 | CNC(=O)OC(C)(C)C" [color=lightyellow shape=box style=filled]
	1088 -> "1922 | CNC(=O)OC(C)(C)C" [label=""]
	"1923 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1088 -> "1923 | O=C(O)C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1924 | CNC(Br)C(=O)O" [color=lightgrey shape=box style=filled]
	1089 -> "1924 | CNC(Br)C(=O)O" [label=""]
	"1925 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1089 -> "1925 | O=C(O)C1C=CSCN1" [label=""]
	"1926 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1090 -> "1926 | O=C(O)C1C=CSCN1" [label=""]
	"1927 | CNC(Cl)C(=O)O" [color=lightgrey shape=box style=filled]
	1090 -> "1927 | CNC(Cl)C(=O)O" [label=""]
	"1928 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1091 -> "1928 | O=C(O)C1C=CSCN1" [label=""]
	"1929 | CNCC(=O)O" [color=lightyellow shape=box style=filled]
	1091 -> "1929 | CNCC(=O)O" [label=""]
	"1930 | O=C(O)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1092 -> "1930 | O=C(O)C[C@@H]1NCC=CS1" [label=""]
	"1931 | O=C=O" [color=lightyellow shape=box style=filled]
	1092 -> "1931 | O=C=O" [label=""]
	"1932 | C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1093 -> "1932 | C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1933 | O=C=O" [color=lightyellow shape=box style=filled]
	1093 -> "1933 | O=C=O" [label=""]
	"1934 | O=C(O)CBr" [color=lightyellow shape=box style=filled]
	1094 -> "1934 | O=C(O)CBr" [label=""]
	"1935 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1094 -> "1935 | O=C(O)C1C=CSCN1" [label=""]
	"1936 | O=CCC(N[C@H](S)CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1095 -> "1936 | O=CCC(N[C@H](S)CC(=O)O)C(=O)O" [label=""]
	"1937 | [CH][S]" [color=lightgrey shape=box style=filled]
	1096 -> "1937 | [CH][S]" [label=""]
	"1938 | [CH]C(N[CH]CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1096 -> "1938 | [CH]C(N[CH]CC(=O)O)C(=O)O" [label=""]
	"1939 | CS" [color=lightyellow shape=box style=filled]
	1097 -> "1939 | CS" [label=""]
	"1940 | O=CC(NCCC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1097 -> "1940 | O=CC(NCCC(=O)O)C(=O)O" [label=""]
	"1941 | CCC(N[C@H](S)CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1098 -> "1941 | CCC(N[C@H](S)CC(=O)O)C(=O)O" [label=""]
	"1942 | O=C(O)CCNC(CCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1099 -> "1942 | O=C(O)CCNC(CCS)C(=O)O" [label=""]
	"1943 | O=C(O)CCNC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1100 -> "1943 | O=C(O)CCNC(C=CS)C(=O)O" [label=""]
	"1944 | O=C(O)C(Br)CNC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1101 -> "1944 | O=C(O)C(Br)CNC(C=CS)C(=O)O" [label=""]
	"1945 | O=C(O)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1102 -> "1945 | O=C(O)C[C@@H]1NCC=CS1" [label=""]
	"1946 | O=C1C[C@@H](SC=CCBr)N1" [color=lightgrey shape=box style=filled]
	1103 -> "1946 | O=C1C[C@@H](SC=CCBr)N1" [label=""]
	"1947 | C=CCBr" [color=lightyellow shape=box style=filled]
	1104 -> "1947 | C=CCBr" [label=""]
	"1948 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1104 -> "1948 | O=C1C[C@@H](S)N1" [label=""]
	"1949 | O=CCCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	1105 -> "1949 | O=CCCN1C(=O)C[C@H]1S" [label=""]
	"1950 | O=C1CCSC=CCN1" [color=lightgrey shape=box style=filled]
	1106 -> "1950 | O=C1CCSC=CCN1" [label=""]
	"1951 | O=C1CC(=O)SC=CCN1" [color=lightgrey shape=box style=filled]
	1107 -> "1951 | O=C1CC(=O)SC=CCN1" [label=""]
	"1952 | O=C1CCSC=C(Br)CN1" [color=lightgrey shape=box style=filled]
	1108 -> "1952 | O=C1CCSC=C(Br)CN1" [label=""]
	"1953 | C=CCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	1109 -> "1953 | C=CCN1C(=O)C[C@H]1S" [label=""]
	"1954 | O=C=CCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	1110 -> "1954 | O=C=CCN1C(=O)C[C@H]1S" [label=""]
	"1955 | CCCN1C(=O)C[C@H]1S" [color=lightgrey shape=box style=filled]
	1111 -> "1955 | CCCN1C(=O)C[C@H]1S" [label=""]
	"1956 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1112 -> "1956 | CCC(=O)C(=O)O" [label=""]
	"1957 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1112 -> "1957 | O=C1C[C@@H](S)N1" [label=""]
	"1958 | CCC(N[C@H](S)CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1113 -> "1958 | CCC(N[C@H](S)CC(=O)O)C(=O)O" [label=""]
	"1959 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1114 -> "1959 | O=C1C[C@@H](S)N1" [label=""]
	"1960 | CCC(Br)C(=O)O" [color=lightyellow shape=box style=filled]
	1114 -> "1960 | CCC(Br)C(=O)O" [label=""]
	"1961 | CCC(NC(=O)CC=S)C(=O)O" [color=lightgrey shape=box style=filled]
	1115 -> "1961 | CCC(NC(=O)CC=S)C(=O)O" [label=""]
	"1962 | CCC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1116 -> "1962 | CCC(O)C(=O)O" [label=""]
	"1963 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1116 -> "1963 | O=C1C[C@@H](S)N1" [label=""]
	"1964 | CCCC(=O)O" [color=lightyellow shape=box style=filled]
	1117 -> "1964 | CCCC(=O)O" [label=""]
	"1965 | O=C1CC(=S)N1" [color=lightgrey shape=box style=filled]
	1117 -> "1965 | O=C1CC(=S)N1" [label=""]
	"1966 | CCC(NC(=O)CC(=O)S)C(=O)O" [color=lightgrey shape=box style=filled]
	1118 -> "1966 | CCC(NC(=O)CC(=O)S)C(=O)O" [label=""]
	"1967 | CC(=O)O" [color=lightyellow shape=box style=filled]
	1119 -> "1967 | CC(=O)O" [label=""]
	"1968 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1119 -> "1968 | O=C1C[C@@H](S)N1" [label=""]
	"1969 | CCI" [color=lightyellow shape=box style=filled]
	1119 -> "1969 | CCI" [label=""]
	"1970 | CCC(NC(=O)C[C@H](O)S)C(=O)O" [color=lightgrey shape=box style=filled]
	1120 -> "1970 | CCC(NC(=O)C[C@H](O)S)C(=O)O" [label=""]
	"1971 | CCC(NC(=O)CCS)C(=O)O" [color=lightgrey shape=box style=filled]
	1121 -> "1971 | CCC(NC(=O)CCS)C(=O)O" [label=""]
	"1972 | O=C(Cl)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1122 -> "1972 | O=C(Cl)C[C@@H]1NCC=CS1" [label=""]
	"1973 | O=C=O" [color=lightyellow shape=box style=filled]
	1122 -> "1973 | O=C=O" [label=""]
	"1974 | O=C(Cl)CBr" [color=lightyellow shape=box style=filled]
	1123 -> "1974 | O=C(Cl)CBr" [label=""]
	"1975 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1123 -> "1975 | O=C(O)C1C=CSCN1" [label=""]
	"1976 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	1124 -> "1976 | O=C(Cl)Cl" [label=""]
	"1977 | C[C@@H]1NC(C(=O)O)C=CS1" [color=lightgrey shape=box style=filled]
	1124 -> "1977 | C[C@@H]1NC(C(=O)O)C=CS1" [label=""]
	"1978 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1125 -> "1978 | O=C(O)C1C=CSCN1" [label=""]
	"1979 | O=C(Cl)CCl" [color=lightgrey shape=box style=filled]
	1125 -> "1979 | O=C(Cl)CCl" [label=""]
	"1980 | O=C(Cl)CCNC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1126 -> "1980 | O=C(Cl)CCNC(C=CS)C(=O)O" [label=""]
	"1981 | O=C(O)C1C=CSC=N1" [color=lightgrey shape=box style=filled]
	1127 -> "1981 | O=C(O)C1C=CSC=N1" [label=""]
	"1982 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	1127 -> "1982 | CC(=O)Cl" [label=""]
	"1983 | N[C@@H](CC(=O)Cl)SC=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1128 -> "1983 | N[C@@H](CC(=O)Cl)SC=CC(=O)C(=O)O" [label=""]
	"1984 | N[C@@H](CC(=O)Cl)SC=CC(O)C(=O)O" [color=lightgrey shape=box style=filled]
	1129 -> "1984 | N[C@@H](CC(=O)Cl)SC=CC(O)C(=O)O" [label=""]
	"1985 | O=C(Cl)CC(=O)NC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1130 -> "1985 | O=C(Cl)CC(=O)NC(C=CS)C(=O)O" [label=""]
	"1986 | [CH][S]" [color=lightgrey shape=box style=filled]
	1131 -> "1986 | [CH][S]" [label=""]
	"1987 | [CH]C(N[CH]CC(=O)Cl)C(=O)O" [color=lightgrey shape=box style=filled]
	1131 -> "1987 | [CH]C(N[CH]CC(=O)Cl)C(=O)O" [label=""]
	"1988 | CCC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1132 -> "1988 | CCC(O)C(=O)O" [label=""]
	"1989 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1132 -> "1989 | O=C1C[C@@H](S)N1" [label=""]
	"1990 | O=CCC(O)C(=O)O" [color=lightgrey shape=box style=filled]
	1133 -> "1990 | O=CCC(O)C(=O)O" [label=""]
	"1991 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1133 -> "1991 | O=C1C[C@@H](S)N1" [label=""]
	"1992 | C=CC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1134 -> "1992 | C=CC(O)C(=O)O" [label=""]
	"1993 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1134 -> "1993 | O=C1C[C@@H](S)N1" [label=""]
	"1994 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1135 -> "1994 | O=C1C[C@@H](S)N1" [label=""]
	"1995 | O=C(O)C(O)CCO" [color=lightyellow shape=box style=filled]
	1135 -> "1995 | O=C(O)C(O)CCO" [label=""]
	"1996 | CC(=O)C(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1136 -> "1996 | CC(=O)C(O)C(=O)O" [label=""]
	"1997 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1136 -> "1997 | O=C1C[C@@H](S)N1" [label=""]
	"1998 | CC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1137 -> "1998 | CC(O)C(=O)O" [label=""]
	"1999 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1137 -> "1999 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"2000 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1137 -> "2000 | O=C1C[C@@H](S)N1" [label=""]
	"2001 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1138 -> "2001 | O=C1C[C@@H](S)N1" [label=""]
	"2002 | C=C(O)C(O)C(=O)O" [color=lightgrey shape=box style=filled]
	1138 -> "2002 | C=C(O)C(O)C(=O)O" [label=""]
	"2003 | CC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1139 -> "2003 | CC(O)C(=O)O" [label=""]
	"2004 | C=O" [color=lightyellow shape=box style=filled]
	1139 -> "2004 | C=O" [label=""]
	"2005 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1139 -> "2005 | O=C1C[C@@H](S)N1" [label=""]
	"2006 | O=C(O)C(O)CCCl" [color=lightgrey shape=box style=filled]
	1140 -> "2006 | O=C(O)C(O)CCCl" [label=""]
	"2007 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1140 -> "2007 | O=C1C[C@@H](S)N1" [label=""]
	"2008 | CCOC(=O)C[C@@H]1NCC=CS1" [color=lightgrey shape=box style=filled]
	1141 -> "2008 | CCOC(=O)C[C@@H]1NCC=CS1" [label=""]
	"2009 | O=C=O" [color=lightyellow shape=box style=filled]
	1141 -> "2009 | O=C=O" [label=""]
	"2010 | CCOC(=O)CBr" [color=lightgrey shape=box style=filled]
	1142 -> "2010 | CCOC(=O)CBr" [label=""]
	"2011 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1142 -> "2011 | O=C(O)C1C=CSCN1" [label=""]
	"2012 | CCOC(=O)C[Zn+]" [color=lightyellow shape=box style=filled]
	1143 -> "2012 | CCOC(=O)C[Zn+]" [label=""]
	"2013 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1143 -> "2013 | O=C(O)C1C=CSCN1" [label=""]
	"2014 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1144 -> "2014 | O=C(O)C1C=CSCN1" [label=""]
	"2015 | CCOC(=O)CCl" [color=lightyellow shape=box style=filled]
	1144 -> "2015 | CCOC(=O)CCl" [label=""]
	"2016 | CCOC(=O)CCNC(C=CS)C(=O)O" [color=lightgrey shape=box style=filled]
	1145 -> "2016 | CCOC(=O)CCNC(C=CS)C(=O)O" [label=""]
	"2017 | CCOC(=O)C[C@H](N)SC=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1146 -> "2017 | CCOC(=O)C[C@H](N)SC=CC(=O)C(=O)O" [label=""]
	"2018 | CCOC(=O)CB(O)O" [color=lightgrey shape=box style=filled]
	1147 -> "2018 | CCOC(=O)CB(O)O" [label=""]
	"2019 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1147 -> "2019 | O=C(O)C1C=CSCN1" [label=""]
	"2020 | CCOC(=O)C[C@@H](S)NC(CC)C(=O)O" [color=lightgrey shape=box style=filled]
	1148 -> "2020 | CCOC(=O)C[C@@H](S)NC(CC)C(=O)O" [label=""]
	"2021 | CCOC(=O)C[C@H](N)SC=CC(O)C(=O)O" [color=lightgrey shape=box style=filled]
	1149 -> "2021 | CCOC(=O)C[C@H](N)SC=CC(O)C(=O)O" [label=""]
	"2022 | CCOC(=O)CI" [color=lightyellow shape=box style=filled]
	1150 -> "2022 | CCOC(=O)CI" [label=""]
	"2023 | O=C(O)C1C=CSCN1" [color=lightgrey shape=box style=filled]
	1150 -> "2023 | O=C(O)C1C=CSCN1" [label=""]
	"2024 | CCC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1151 -> "2024 | CCC(=O)C(=O)O" [label=""]
	"2025 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1151 -> "2025 | O=C1C[C@@H](S)N1" [label=""]
	"2026 | CC(=O)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1152 -> "2026 | CC(=O)C(=O)C(=O)O" [label=""]
	"2027 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1152 -> "2027 | O=C1C[C@@H](S)N1" [label=""]
	"2028 | O=CCC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1153 -> "2028 | O=CCC(=O)C(=O)O" [label=""]
	"2029 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1153 -> "2029 | O=C1C[C@@H](S)N1" [label=""]
	"2030 | O=C(O)C(=O)CCO" [color=lightgrey shape=box style=filled]
	1154 -> "2030 | O=C(O)C(=O)CCO" [label=""]
	"2031 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1154 -> "2031 | O=C1C[C@@H](S)N1" [label=""]
	"2032 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1155 -> "2032 | O=C1C[C@@H](S)N1" [label=""]
	"2033 | CC(Br)C(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1155 -> "2033 | CC(Br)C(=O)C(=O)O" [label=""]
	"2034 | C=CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1156 -> "2034 | C=CC(=O)C(=O)O" [label=""]
	"2035 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1156 -> "2035 | O=C1C[C@@H](S)N1" [label=""]
	"2036 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1157 -> "2036 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"2037 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1157 -> "2037 | O=C1C[C@@H](S)N1" [label=""]
	"2038 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1157 -> "2038 | CC(=O)C(=O)O" [label=""]
	"2039 | N[C@@H](CC(=O)O)SC=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1158 -> "2039 | N[C@@H](CC(=O)O)SC=CC(=O)C(=O)O" [label=""]
	"2040 | O=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1159 -> "2040 | O=CC(=O)C(=O)O" [label=""]
	"2041 | CS[C@@H]1CC(=O)N1" [color=lightgrey shape=box style=filled]
	1159 -> "2041 | CS[C@@H]1CC(=O)N1" [label=""]
	"2042 | O=C=CC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1160 -> "2042 | O=C=CC(=O)C(=O)O" [label=""]
	"2043 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1160 -> "2043 | O=C1C[C@@H](S)N1" [label=""]
	"2044 | O=CCC(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1161 -> "2044 | O=CCC(=O)C(=O)O" [label=""]
	"2045 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1161 -> "2045 | O=C1C[C@@H](S)N1" [label=""]
	"2046 | O=CCC(N[C@H](S)CC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1162 -> "2046 | O=CCC(N[C@H](S)CC(=O)O)C(=O)O" [label=""]
	"2047 | O=C(O)CCC(=O)O" [color=lightyellow shape=box style=filled]
	1163 -> "2047 | O=C(O)CCC(=O)O" [label=""]
	"2048 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1163 -> "2048 | O=C1C[C@@H](S)N1" [label=""]
	"2049 | O=CCC(Br)C(=O)O" [color=lightgrey shape=box style=filled]
	1164 -> "2049 | O=CCC(Br)C(=O)O" [label=""]
	"2050 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1164 -> "2050 | O=C1C[C@@H](S)N1" [label=""]
	"2051 | CCOC(=O)CCC(=O)O" [color=lightyellow shape=box style=filled]
	1165 -> "2051 | CCOC(=O)CCC(=O)O" [label=""]
	"2052 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1165 -> "2052 | O=C1C[C@@H](S)N1" [label=""]
	"2053 | O=CCC(NC(=O)CC=S)C(=O)O" [color=lightgrey shape=box style=filled]
	1166 -> "2053 | O=CCC(NC(=O)CC=S)C(=O)O" [label=""]
	"2054 | O=C(O)CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1167 -> "2054 | O=C(O)CC(=O)C(=O)O" [label=""]
	"2055 | O=C1C[C@@H](S)N1" [color=lightgrey shape=box style=filled]
	1167 -> "2055 | O=C1C[C@@H](S)N1" [label=""]
	"2056 | O=CCC(NC(=O)CC(=O)S)C(=O)O" [color=lightgrey shape=box style=filled]
	1168 -> "2056 | O=CCC(NC(=O)CC(=O)S)C(=O)O" [label=""]
	"2057 | C" [color=lightyellow shape=box style=filled]
	1169 -> "2057 | C" [label=""]
	"2058 | O=C1CCC(=O)N1S" [color=lightgrey shape=box style=filled]
	1169 -> "2058 | O=C1CCC(=O)N1S" [label=""]
	"2059 | O=C(OS)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	1170 -> "2059 | O=C(OS)c1cccc(Cl)c1" [label=""]
	"2060 | C" [color=lightyellow shape=box style=filled]
	1170 -> "2060 | C" [label=""]
	"2061 | SC(Br)(Br)Br" [color=lightgrey shape=box style=filled]
	1171 -> "2061 | SC(Br)(Br)Br" [label=""]
	"2062 | CI" [color=lightyellow shape=box style=filled]
	1171 -> "2062 | CI" [label=""]
	"2063 | [S]" [color=lightyellow shape=box style=filled]
	1172 -> "2063 | [S]" [label=""]
	"2064 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1172 -> "2064 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"2065 | CO" [color=lightyellow shape=box style=filled]
	1173 -> "2065 | CO" [label=""]
	"2066 | [S]" [color=lightyellow shape=box style=filled]
	1173 -> "2066 | [S]" [label=""]
	"2067 | CO" [color=lightyellow shape=box style=filled]
	1174 -> "2067 | CO" [label=""]
	"2068 | OS" [color=lightyellow shape=box style=filled]
	1174 -> "2068 | OS" [label=""]
	"2069 | SC(Br)(Br)Br" [color=lightgrey shape=box style=filled]
	1175 -> "2069 | SC(Br)(Br)Br" [label=""]
	"2070 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [color=lightyellow shape=box style=filled]
	1175 -> "2070 | C[P+](c1ccccc1)(c1ccccc1)c1ccccc1" [label=""]
	"2071 | O=C(OS)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	1176 -> "2071 | O=C(OS)c1cccc(Cl)c1" [label=""]
	"2072 | CO" [color=lightyellow shape=box style=filled]
	1176 -> "2072 | CO" [label=""]
	"2073 | SC(Br)(Br)Br" [color=lightgrey shape=box style=filled]
	1177 -> "2073 | SC(Br)(Br)Br" [label=""]
	"2074 | CO" [color=lightyellow shape=box style=filled]
	1177 -> "2074 | CO" [label=""]
	"2075 | CO" [color=lightyellow shape=box style=filled]
	1178 -> "2075 | CO" [label=""]
	"2076 | SCl" [color=lightgrey shape=box style=filled]
	1178 -> "2076 | SCl" [label=""]
	"2077 | O=C1CCN1" [color=lightyellow shape=box style=filled]
	1179 -> "2077 | O=C1CCN1" [label=""]
	"2078 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	1179 -> "2078 | CC(=O)C(=O)O" [label=""]
	"2079 | CC(O)C(=O)O" [color=lightyellow shape=box style=filled]
	1180 -> "2079 | CC(O)C(=O)O" [label=""]
	"2080 | O=C1CCN1" [color=lightyellow shape=box style=filled]
	1180 -> "2080 | O=C1CCN1" [label=""]
	"2081 | CC(NCCC(=O)O)C(=O)O" [color=lightgrey shape=box style=filled]
	1181 -> "2081 | CC(NCCC(=O)O)C(=O)O" [label=""]
	"2082 | O=C1CCN1" [color=lightyellow shape=box style=filled]
	1182 -> "2082 | O=C1CCN1" [label=""]
	"2083 | CC(Cl)C(=O)O" [color=lightyellow shape=box style=filled]
	1182 -> "2083 | CC(Cl)C(=O)O" [label=""]
	"2084 | O=C1CCN1" [color=lightyellow shape=box style=filled]
	1183 -> "2084 | O=C1CCN1" [label=""]
	"2085 | C=CC(=O)O" [color=lightyellow shape=box style=filled]
	1183 -> "2085 | C=CC(=O)O" [label=""]
	"2086 | O=C1CCN1" [color=lightyellow shape=box style=filled]
	1184 -> "2086 | O=C1CCN1" [label=""]
	"2087 | CC(Br)C(=O)O" [color=lightyellow shape=box style=filled]
	1184 -> "2087 | CC(Br)C(=O)O" [label=""]
	"2088 | CC(N)C(=O)O" [color=lightyellow shape=box style=filled]
	1185 -> "2088 | CC(N)C(=O)O" [label=""]
	"2089 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	1185 -> "2089 | CCC(=O)O" [label=""]
	"2090 | CC(NCCC(=O)Cl)C(=O)O" [color=lightgrey shape=box style=filled]
	1186 -> "2090 | CC(NCCC(=O)Cl)C(=O)O" [label=""]
	"2091 | C=CC(=O)NC(C)C(=O)O" [color=lightyellow shape=box style=filled]
	1187 -> "2091 | C=CC(=O)NC(C)C(=O)O" [label=""]
	"2092 | CC(NC(=O)CC=O)C(=O)O" [color=lightgrey shape=box style=filled]
	1188 -> "2092 | CC(NC(=O)CC=O)C(=O)O" [label=""]
}
