digraph G {
	rankdir=LR
	node [shape=box]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 3 [label=0.000]
	4 [color=lightblue shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O" -> 10 [label=0.000]
	"2 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	1 -> "2 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	1 -> "3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" [label=""]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	2 -> "4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" [label=""]
	"5 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	2 -> "5 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" [color=aquamarine shape=box style=filled]
	3 -> "6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightblue shape=box style=filled]
	4 -> "7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightblue shape=box style=filled]
	4 -> "8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=aquamarine shape=box style=filled]
	5 -> "9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightblue shape=box style=filled]
	5 -> "10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [color=aquamarine shape=box style=filled]
	6 -> "11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [label=""]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightblue shape=box style=filled]
	6 -> "12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" [color=aquamarine shape=box style=filled]
	7 -> "13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" [label=""]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightblue shape=box style=filled]
	7 -> "14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=aquamarine shape=box style=filled]
	8 -> "15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightblue shape=box style=filled]
	8 -> "16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" [color=aquamarine shape=box style=filled]
	9 -> "17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" [label=""]
	"18 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	10 -> "18 | O=C1CCC(=O)N1Br" [label=""]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=aquamarine shape=box style=filled]
	10 -> "19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightblue shape=box style=filled]
	10 -> "20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)O)cc4)c4c(N)nccn34)CN2C1=O" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(N)=O)cc4)c4c(N)nccn34)CN2C1=O" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"6 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 38 [label=0.000]
	39 [color=lightblue shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 42 [label=0.000]
	43 [color=lightblue shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 43 [label=0.000]
	44 [color=lightblue shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 45 [label=0.000]
	46 [color=lightblue shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 50 [label=0.000]
	51 [color=lightblue shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"8 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 74 [label=0.000]
	75 [color=lightblue shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"10 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"11 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 93 [label=0.000]
	94 [color=lightblue shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"12 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"13 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 108 [label=0.000]
	109 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 109 [label=0.000]
	110 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 110 [label=0.000]
	111 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 112 [label=0.000]
	113 [color=lightblue shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 113 [label=0.000]
	114 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"14 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 116 [label=0.000]
	117 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 120 [label=0.000]
	121 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 122 [label=0.000]
	123 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"15 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 129 [label=0.000]
	130 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 130 [label=0.000]
	131 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 131 [label=0.000]
	132 [color=lightblue shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 132 [label=0.000]
	133 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 133 [label=0.000]
	134 [color=aquamarine shape=rarrow style=filled]
	"16 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 134 [label=0.000]
	135 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 135 [label=0.000]
	136 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 136 [label=0.000]
	137 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 137 [label=0.000]
	138 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 138 [label=0.000]
	139 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 139 [label=0.000]
	140 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 140 [label=0.000]
	141 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 141 [label=0.000]
	142 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 142 [label=0.000]
	143 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 143 [label=0.000]
	144 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1)C(=O)Cl" -> 144 [label=0.000]
	145 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 145 [label=0.000]
	146 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 146 [label=0.000]
	147 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 147 [label=0.000]
	148 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 148 [label=0.000]
	149 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 149 [label=0.000]
	150 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 150 [label=0.000]
	151 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 151 [label=0.000]
	152 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 152 [label=0.000]
	153 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 153 [label=0.000]
	154 [color=aquamarine shape=rarrow style=filled]
	"19 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 154 [label=0.000]
	155 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 155 [label=0.000]
	156 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 156 [label=0.000]
	157 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 157 [label=0.000]
	158 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 158 [label=0.000]
	159 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 159 [label=0.000]
	160 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 160 [label=0.000]
	161 [color=lightblue shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 161 [label=0.000]
	162 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 162 [label=0.000]
	163 [color=aquamarine shape=rarrow style=filled]
	"20 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 163 [label=0.000]
	"21 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	11 -> "21 | O=C(O)c1ccc(Br)cc1" [label=""]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	11 -> "22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [label=""]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=aquamarine shape=box style=filled]
	12 -> "23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [color=aquamarine shape=box style=filled]
	12 -> "24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" [color=aquamarine shape=box style=filled]
	13 -> "25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [color=lightblue shape=box style=filled]
	14 -> "26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=aquamarine shape=box style=filled]
	14 -> "27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [color=aquamarine shape=box style=filled]
	15 -> "28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [label=""]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	16 -> "29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [label=""]
	"30 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	16 -> "30 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [color=aquamarine shape=box style=filled]
	17 -> "31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [label=""]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	18 -> "32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" [label=""]
	"33 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	18 -> "33 | O=C(O)c1ccc(Br)cc1" [label=""]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" [color=aquamarine shape=box style=filled]
	19 -> "34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" [label=""]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [color=lightblue shape=box style=filled]
	19 -> "35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	20 -> "36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [label=""]
	"37 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	20 -> "37 | NC(=O)c1ccc(Br)cc1" [label=""]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	21 -> "38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" [label=""]
	"39 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	21 -> "39 | NC(=O)c1ccc(Br)cc1" [label=""]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" [color=aquamarine shape=box style=filled]
	22 -> "40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	23 -> "41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [label=""]
	"42 | NC(=O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	23 -> "42 | NC(=O)c1ccc(B(O)O)cc1" [label=""]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	24 -> "43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" [label=""]
	"44 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	24 -> "44 | NC(=O)c1ccc(Br)cc1" [label=""]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	25 -> "45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" [label=""]
	"46 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	25 -> "46 | NC(=O)c1ccc(Br)cc1" [label=""]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" [color=aquamarine shape=box style=filled]
	26 -> "47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" [label=""]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=aquamarine shape=box style=filled]
	26 -> "48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"49 | N" [color=lightyellow shape=box style=filled]
	27 -> "49 | N" [label=""]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [color=aquamarine shape=box style=filled]
	27 -> "50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [label=""]
	"51 | NC(=O)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	28 -> "51 | NC(=O)c1ccc(Cl)cc1" [label=""]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [color=aquamarine shape=box style=filled]
	28 -> "52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" [label=""]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" [color=aquamarine shape=box style=filled]
	29 -> "53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"54 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	29 -> "54 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" [color=aquamarine shape=box style=filled]
	30 -> "55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"56 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	30 -> "56 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"57 | C[C@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	31 -> "57 | C[C@H](O)C(=O)O" [label=""]
	"58 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=aquamarine shape=box style=filled]
	31 -> "58 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"59 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=aquamarine shape=box style=filled]
	32 -> "59 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"60 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	32 -> "60 | CC(=O)C(=O)O" [label=""]
	"61 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=aquamarine shape=box style=filled]
	33 -> "61 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"62 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	33 -> "62 | C[C@@H](O)C(=O)O" [label=""]
	"63 | C[C@H](Br)C(=O)O" [color=lightyellow shape=box style=filled]
	34 -> "63 | C[C@H](Br)C(=O)O" [label=""]
	"64 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=aquamarine shape=box style=filled]
	34 -> "64 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=aquamarine shape=box style=filled]
	35 -> "65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"66 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	35 -> "66 | C[C@@H](O)C(=O)O" [label=""]
	"67 | Nc1nccn2c([C@@H]3CC[C@@H](C=O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=aquamarine shape=box style=filled]
	36 -> "67 | Nc1nccn2c([C@@H]3CC[C@@H](C=O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"68 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	36 -> "68 | C[C@@H](O)C(=O)O" [label=""]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" [color=aquamarine shape=box style=filled]
	37 -> "69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" [label=""]
	"70 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	37 -> "70 | CCC(=O)O" [label=""]
	"71 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=aquamarine shape=box style=filled]
	38 -> "71 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"72 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	38 -> "72 | CCC(=O)O" [label=""]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [color=lightblue shape=box style=filled]
	39 -> "73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [label=""]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" [color=aquamarine shape=box style=filled]
	40 -> "74 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [color=aquamarine shape=box style=filled]
	41 -> "75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [label=""]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" [color=aquamarine shape=box style=filled]
	42 -> "76 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" [color=lightblue shape=box style=filled]
	43 -> "77 | C[C@H]1OC[C@H](O)CCCCNC1=O" [label=""]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [color=lightblue shape=box style=filled]
	44 -> "78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [label=""]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" [color=aquamarine shape=box style=filled]
	45 -> "79 | C[C@H]1OCCCCCCN(Br)C1=O" [label=""]
	"80 | O=C1COC[C@@H]2CCCCN12" [color=lightblue shape=box style=filled]
	46 -> "80 | O=C1COC[C@@H]2CCCCN12" [label=""]
	"81 | CI" [color=lightyellow shape=box style=filled]
	46 -> "81 | CI" [label=""]
	"82 | CCOC[C@@H]1CCCCN1C(=O)Cl" [color=aquamarine shape=box style=filled]
	47 -> "82 | CCOC[C@@H]1CCCCN1C(=O)Cl" [label=""]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" [color=aquamarine shape=box style=filled]
	48 -> "83 | CC(=O)OC[C@@H]1CCCCN1C=O" [label=""]
	"84 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	49 -> "84 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [color=aquamarine shape=box style=filled]
	49 -> "85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" [color=aquamarine shape=box style=filled]
	50 -> "86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" [label=""]
	"87 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	50 -> "87 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightblue shape=box style=filled]
	51 -> "88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"89 | Nc1nccn2c(Cl)ncc12" [color=lightblue shape=box style=filled]
	51 -> "89 | Nc1nccn2c(Cl)ncc12" [label=""]
	"90 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	52 -> "90 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"91 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	52 -> "91 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"92 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	53 -> "92 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"93 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	53 -> "93 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"94 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	54 -> "94 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"95 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	54 -> "95 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"96 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	55 -> "96 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"97 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	55 -> "97 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"98 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	56 -> "98 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"99 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	56 -> "99 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"100 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	57 -> "100 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(B(O)O)cc1" [label=""]
	"101 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	57 -> "101 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"102 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	58 -> "102 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(B(O)O)cc1" [label=""]
	"103 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	58 -> "103 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"104 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	59 -> "104 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)O" [label=""]
	"105 | CC[C@H]1CO[C@H](C)C(=O)N1CC(=O)O" [color=lightgrey shape=box style=filled]
	60 -> "105 | CC[C@H]1CO[C@H](C)C(=O)N1CC(=O)O" [label=""]
	"106 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	61 -> "106 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"107 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	61 -> "107 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"108 | C[C@H]1OCC(=O)CCC(=O)CNC1=O" [color=lightgrey shape=box style=filled]
	62 -> "108 | C[C@H]1OCC(=O)CCC(=O)CNC1=O" [label=""]
	"109 | C[C@H]1OC[C@H](CCC(=O)CBr)NC1=O" [color=lightgrey shape=box style=filled]
	63 -> "109 | C[C@H]1OC[C@H](CCC(=O)CBr)NC1=O" [label=""]
	"110 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	64 -> "110 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)Cl" [label=""]
	"111 | CCOC(=O)[C@@H](C)OC[C@@H]1CCC(=O)CN1" [color=lightgrey shape=box style=filled]
	65 -> "111 | CCOC(=O)[C@@H](C)OC[C@@H]1CCC(=O)CN1" [label=""]
	"112 | CCOC(=O)CN1C(=O)[C@@H](C)OC[C@@H]1CCBr" [color=lightgrey shape=box style=filled]
	66 -> "112 | CCOC(=O)CN1C(=O)[C@@H](C)OC[C@@H]1CCBr" [label=""]
	"113 | C[C@H]1OC[C@H](CCO)N(CC(=O)O)C1=O" [color=lightgrey shape=box style=filled]
	67 -> "113 | C[C@H]1OC[C@H](CCO)N(CC(=O)O)C1=O" [label=""]
	"114 | C[C@H]1OC[C@H](O)CCC(=O)CNC1=O" [color=lightgrey shape=box style=filled]
	68 -> "114 | C[C@H]1OC[C@H](O)CCC(=O)CNC1=O" [label=""]
	"115 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	69 -> "115 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"116 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	69 -> "116 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"117 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	70 -> "117 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [label=""]
	"118 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	70 -> "118 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"119 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	71 -> "119 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"120 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	71 -> "120 | Nc1nccn2cncc12" [label=""]
	"121 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	72 -> "121 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"122 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	72 -> "122 | Nc1nccn2cnc(Br)c12" [label=""]
	"123 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	73 -> "123 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"124 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	73 -> "124 | Nc1nccn2cnc(Cl)c12" [label=""]
	"125 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	74 -> "125 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"126 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	74 -> "126 | Nc1nccn2cnc(Cl)c12" [label=""]
	"127 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	75 -> "127 | Nc1nccn2cncc12" [label=""]
	"128 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [color=lightyellow shape=box style=filled]
	75 -> "128 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [label=""]
	"129 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	76 -> "129 | Nc1nccn2cnc(Br)c12" [label=""]
	"130 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	76 -> "130 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"131 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	77 -> "131 | Nc1nccn2cnc(Cl)c12" [label=""]
	"132 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	77 -> "132 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"133 | C[C@@H](OC[C@@H]1CC[C@@H](Br)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	78 -> "133 | C[C@@H](OC[C@@H]1CC[C@@H](Br)CN1)C(=O)O" [label=""]
	"134 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	79 -> "134 | O=C1CCC(=O)N1Br" [label=""]
	"135 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	79 -> "135 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"136 | C[C@H]1OCC(=O)CC[C@@H](Br)CNC1=O" [color=lightgrey shape=box style=filled]
	80 -> "136 | C[C@H]1OCC(=O)CC[C@@H](Br)CNC1=O" [label=""]
	"137 | C[C@H]1OCC(=O)CC[C@@H](Br)CNC1=O" [color=lightgrey shape=box style=filled]
	81 -> "137 | C[C@H]1OCC(=O)CC[C@@H](Br)CNC1=O" [label=""]
	"138 | C[C@H]1OC[C@H](CC[C@@H](Br)CBr)NC1=O" [color=lightgrey shape=box style=filled]
	82 -> "138 | C[C@H]1OC[C@H](CC[C@@H](Br)CBr)NC1=O" [label=""]
	"139 | C[C@H]1OC[C@H](CC[C@@H](Br)CO)NC1=O" [color=lightgrey shape=box style=filled]
	83 -> "139 | C[C@H]1OC[C@H](CC[C@@H](Br)CO)NC1=O" [label=""]
	"140 | C[C@@H](OC[C@@H]1CC[C@@H](Br)CN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	84 -> "140 | C[C@@H](OC[C@@H]1CC[C@@H](Br)CN1)C(=O)Cl" [label=""]
	"141 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	85 -> "141 | BrC(Br)(Br)Br" [label=""]
	"142 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	85 -> "142 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"143 | C[C@H]1OC[C@H](CC[C@@H](Br)CI)NC1=O" [color=lightgrey shape=box style=filled]
	86 -> "143 | C[C@H]1OC[C@H](CC[C@@H](Br)CI)NC1=O" [label=""]
	"144 | CCOC[C@@H]1CC[C@@H](Br)CN1" [color=lightgrey shape=box style=filled]
	87 -> "144 | CCOC[C@@H]1CC[C@@H](Br)CN1" [label=""]
	"145 | O=CO" [color=lightyellow shape=box style=filled]
	87 -> "145 | O=CO" [label=""]
	"146 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	88 -> "146 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"147 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	88 -> "147 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"148 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	89 -> "148 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [label=""]
	"149 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	89 -> "149 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"150 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	90 -> "150 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"151 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	90 -> "151 | Nc1nccn2cncc12" [label=""]
	"152 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	91 -> "152 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"153 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	91 -> "153 | Nc1nccn2cnc(Br)c12" [label=""]
	"154 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	92 -> "154 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"155 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	92 -> "155 | Nc1nccn2cnc(Cl)c12" [label=""]
	"156 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	93 -> "156 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"157 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	93 -> "157 | Nc1nccn2cnc(Cl)c12" [label=""]
	"158 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	94 -> "158 | Nc1nccn2cncc12" [label=""]
	"159 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [color=lightyellow shape=box style=filled]
	94 -> "159 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [label=""]
	"160 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	95 -> "160 | Nc1nccn2cnc(Br)c12" [label=""]
	"161 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	95 -> "161 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"162 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	96 -> "162 | Nc1nccn2cnc(Cl)c12" [label=""]
	"163 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	96 -> "163 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"164 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	97 -> "164 | O=C1CCC(=O)N1Br" [label=""]
	"165 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	97 -> "165 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"166 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)O" [color=lightgrey shape=box style=filled]
	98 -> "166 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)O" [label=""]
	"167 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	99 -> "167 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [label=""]
	"168 | C[C@H]1OC[C@H](CC(Br)CCBr)NC1=O" [color=lightgrey shape=box style=filled]
	100 -> "168 | C[C@H]1OC[C@H](CC(Br)CCBr)NC1=O" [label=""]
	"169 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	101 -> "169 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)Cl" [label=""]
	"170 | C[C@H]1OC[C@H](O)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	102 -> "170 | C[C@H]1OC[C@H](O)CC(Br)CCNC1=O" [label=""]
	"171 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	103 -> "171 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [label=""]
	"172 | C[C@H]1OC[C@H](Br)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	104 -> "172 | C[C@H]1OC[C@H](Br)CC(Br)CCNC1=O" [label=""]
	"173 | C[C@H]1OC[C@H](Cl)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	105 -> "173 | C[C@H]1OC[C@H](Cl)CC(Br)CCNC1=O" [label=""]
	"174 | C[C@H]1OC[C@H](CC(Br)CCCl)NC1=O" [color=lightgrey shape=box style=filled]
	106 -> "174 | C[C@H]1OC[C@H](CC(Br)CCCl)NC1=O" [label=""]
	"175 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	107 -> "175 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"176 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	107 -> "176 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"177 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	108 -> "177 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [label=""]
	"178 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	108 -> "178 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"179 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	109 -> "179 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"180 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	109 -> "180 | Nc1nccn2cncc12" [label=""]
	"181 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	110 -> "181 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"182 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	110 -> "182 | Nc1nccn2cnc(Br)c12" [label=""]
	"183 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	111 -> "183 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"184 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	111 -> "184 | Nc1nccn2cnc(Cl)c12" [label=""]
	"185 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	112 -> "185 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"186 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	112 -> "186 | Nc1nccn2cnc(Cl)c12" [label=""]
	"187 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	113 -> "187 | Nc1nccn2cncc12" [label=""]
	"188 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [color=lightyellow shape=box style=filled]
	113 -> "188 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [label=""]
	"189 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	114 -> "189 | Nc1nccn2cnc(Br)c12" [label=""]
	"190 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	114 -> "190 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"191 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	115 -> "191 | Nc1nccn2cnc(Cl)c12" [label=""]
	"192 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	115 -> "192 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"193 | CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [color=lightyellow shape=box style=filled]
	116 -> "193 | CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [label=""]
	"194 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	116 -> "194 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"195 | C[C@@H](OC[C@@H]1CC[C@@H](B2OC(C)(C)C(C)(C)O2)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	117 -> "195 | C[C@@H](OC[C@@H]1CC[C@@H](B2OC(C)(C)C(C)(C)O2)CN1)C(=O)O" [label=""]
	"196 | C[C@H]1OCC(=O)CC[C@@H](B2OC(C)(C)C(C)(C)O2)CNC1=O" [color=lightgrey shape=box style=filled]
	118 -> "196 | C[C@H]1OCC(=O)CC[C@@H](B2OC(C)(C)C(C)(C)O2)CNC1=O" [label=""]
	"197 | C[C@H]1OCC(=O)CC[C@@H](B2OC(C)(C)C(C)(C)O2)CNC1=O" [color=lightgrey shape=box style=filled]
	119 -> "197 | C[C@H]1OCC(=O)CC[C@@H](B2OC(C)(C)C(C)(C)O2)CNC1=O" [label=""]
	"198 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	120 -> "198 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"199 | CI" [color=lightyellow shape=box style=filled]
	120 -> "199 | CI" [label=""]
	"200 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [color=lightgrey shape=box style=filled]
	120 -> "200 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [label=""]
	"201 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	121 -> "201 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"202 | CI" [color=lightyellow shape=box style=filled]
	121 -> "202 | CI" [label=""]
	"203 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [color=lightgrey shape=box style=filled]
	121 -> "203 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [label=""]
	"204 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	122 -> "204 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"205 | CI" [color=lightyellow shape=box style=filled]
	122 -> "205 | CI" [label=""]
	"206 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [color=lightgrey shape=box style=filled]
	122 -> "206 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [label=""]
	"207 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	123 -> "207 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"208 | CI" [color=lightyellow shape=box style=filled]
	123 -> "208 | CI" [label=""]
	"209 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [color=lightgrey shape=box style=filled]
	123 -> "209 | CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C" [label=""]
	"210 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	124 -> "210 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"211 | CC1(C)O[B]OC1(C)C" [color=lightyellow shape=box style=filled]
	124 -> "211 | CC1(C)O[B]OC1(C)C" [label=""]
	"212 | C[C@H]1OC[C@H](O)CC[C@@H](B2OC(C)(C)C(C)(C)O2)CNC1=O" [color=lightgrey shape=box style=filled]
	125 -> "212 | C[C@H]1OC[C@H](O)CC[C@@H](B2OC(C)(C)C(C)(C)O2)CNC1=O" [label=""]
	"213 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	126 -> "213 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"214 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	126 -> "214 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"215 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	127 -> "215 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [label=""]
	"216 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	127 -> "216 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"217 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	128 -> "217 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"218 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	128 -> "218 | Nc1nccn2cncc12" [label=""]
	"219 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	129 -> "219 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"220 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	129 -> "220 | Nc1nccn2cnc(Br)c12" [label=""]
	"221 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	130 -> "221 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"222 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	130 -> "222 | Nc1nccn2cnc(Cl)c12" [label=""]
	"223 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	131 -> "223 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"224 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	131 -> "224 | Nc1nccn2cnc(Cl)c12" [label=""]
	"225 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	132 -> "225 | Nc1nccn2cncc12" [label=""]
	"226 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [color=lightyellow shape=box style=filled]
	132 -> "226 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [label=""]
	"227 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	133 -> "227 | Nc1nccn2cnc(Br)c12" [label=""]
	"228 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	133 -> "228 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"229 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	134 -> "229 | Nc1nccn2cnc(Cl)c12" [label=""]
	"230 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	134 -> "230 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"231 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	135 -> "231 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"232 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	135 -> "232 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)Cl" [label=""]
	"233 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	136 -> "233 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)Cl" [label=""]
	"234 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	136 -> "234 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"235 | C[C@H](Br)C(=O)Cl" [color=lightgrey shape=box style=filled]
	137 -> "235 | C[C@H](Br)C(=O)Cl" [label=""]
	"236 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	137 -> "236 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"237 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	138 -> "237 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"238 | CC(=O)C(=O)Cl" [color=lightyellow shape=box style=filled]
	138 -> "238 | CC(=O)C(=O)Cl" [label=""]
	"239 | C[C@H](O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	139 -> "239 | C[C@H](O)C(=O)Cl" [label=""]
	"240 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	139 -> "240 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"241 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	140 -> "241 | O=C(Cl)Cl" [label=""]
	"242 | CC" [color=lightyellow shape=box style=filled]
	140 -> "242 | CC" [label=""]
	"243 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	140 -> "243 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"244 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	141 -> "244 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"245 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	141 -> "245 | O=C(Cl)Cl" [label=""]
	"246 | CCI" [color=lightyellow shape=box style=filled]
	141 -> "246 | CCI" [label=""]
	"247 | C[C@H](Cl)C(=O)Cl" [color=lightyellow shape=box style=filled]
	142 -> "247 | C[C@H](Cl)C(=O)Cl" [label=""]
	"248 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	142 -> "248 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"249 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	143 -> "249 | O=C(Cl)Cl" [label=""]
	"250 | CCBr" [color=lightyellow shape=box style=filled]
	143 -> "250 | CCBr" [label=""]
	"251 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	143 -> "251 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"252 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	144 -> "252 | O=C(Cl)Cl" [label=""]
	"253 | CCO" [color=lightyellow shape=box style=filled]
	144 -> "253 | CCO" [label=""]
	"254 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	144 -> "254 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"255 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [color=lightgrey shape=box style=filled]
	145 -> "255 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [label=""]
	"256 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	146 -> "256 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"257 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [color=lightgrey shape=box style=filled]
	147 -> "257 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [label=""]
	"258 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	148 -> "258 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"259 | C[C@H]1OC[C@H](O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	149 -> "259 | C[C@H]1OC[C@H](O)CCCCNC1=O" [label=""]
	"260 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	150 -> "260 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [label=""]
	"261 | C[C@H]1OCCCCCCN(Br)C1=O" [color=lightgrey shape=box style=filled]
	151 -> "261 | C[C@H]1OCCCCCCN(Br)C1=O" [label=""]
	"262 | O=C1COC[C@@H]2CCCCN12" [color=lightgrey shape=box style=filled]
	152 -> "262 | O=C1COC[C@@H]2CCCCN12" [label=""]
	"263 | CI" [color=lightyellow shape=box style=filled]
	152 -> "263 | CI" [label=""]
	"264 | CCOC[C@@H]1CCCCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	153 -> "264 | CCOC[C@@H]1CCCCN1C(=O)Cl" [label=""]
	"265 | CC(=O)OC[C@@H]1CCCCN1C=O" [color=lightgrey shape=box style=filled]
	154 -> "265 | CC(=O)OC[C@@H]1CCCCN1C=O" [label=""]
	"266 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	155 -> "266 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"267 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	155 -> "267 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"268 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	156 -> "268 | NC(=O)c1ccc(-c2ncn3ccnc(N)c23)cc1" [label=""]
	"269 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	156 -> "269 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"270 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	157 -> "270 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"271 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	157 -> "271 | Nc1nccn2cncc12" [label=""]
	"272 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	158 -> "272 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"273 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	158 -> "273 | Nc1nccn2cnc(Br)c12" [label=""]
	"274 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	159 -> "274 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"275 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	159 -> "275 | Nc1nccn2cnc(Cl)c12" [label=""]
	"276 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [color=lightgrey shape=box style=filled]
	160 -> "276 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" [label=""]
	"277 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	160 -> "277 | Nc1nccn2cnc(Cl)c12" [label=""]
	"278 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	161 -> "278 | Nc1nccn2cncc12" [label=""]
	"279 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [color=lightyellow shape=box style=filled]
	161 -> "279 | CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C" [label=""]
	"280 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	162 -> "280 | Nc1nccn2cnc(Br)c12" [label=""]
	"281 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	162 -> "281 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	"282 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	163 -> "282 | Nc1nccn2cnc(Cl)c12" [label=""]
	"283 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [color=lightgrey shape=box style=filled]
	163 -> "283 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1" [label=""]
	164 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 164 [label=0.000]
	165 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 165 [label=0.000]
	166 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 166 [label=0.000]
	167 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 167 [label=0.000]
	168 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 168 [label=0.000]
	169 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 169 [label=0.000]
	170 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 170 [label=0.000]
	171 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 171 [label=0.000]
	172 [color=aquamarine shape=rarrow style=filled]
	"22 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 172 [label=0.000]
	173 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 173 [label=0.000]
	174 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 174 [label=0.000]
	175 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 175 [label=0.000]
	176 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 176 [label=0.000]
	177 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 177 [label=0.000]
	178 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 178 [label=0.000]
	179 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 179 [label=0.000]
	180 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 180 [label=0.000]
	181 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 181 [label=0.000]
	182 [color=aquamarine shape=rarrow style=filled]
	"23 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 182 [label=0.000]
	183 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 183 [label=0.000]
	184 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 184 [label=0.000]
	185 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 185 [label=0.000]
	186 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 186 [label=0.000]
	187 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 187 [label=0.000]
	188 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 188 [label=0.000]
	189 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 189 [label=0.000]
	190 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 190 [label=0.000]
	191 [color=aquamarine shape=rarrow style=filled]
	"24 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 191 [label=0.000]
	192 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 192 [label=0.000]
	193 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 193 [label=0.000]
	194 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 194 [label=0.000]
	195 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 195 [label=0.000]
	196 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 196 [label=0.000]
	197 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 197 [label=0.000]
	198 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 198 [label=0.000]
	199 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 199 [label=0.000]
	200 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 200 [label=0.000]
	201 [color=lightblue shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 201 [label=0.000]
	202 [color=lightblue shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 202 [label=0.000]
	203 [color=aquamarine shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 203 [label=0.000]
	204 [color=aquamarine shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 204 [label=0.000]
	205 [color=aquamarine shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 205 [label=0.000]
	206 [color=aquamarine shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 206 [label=0.000]
	207 [color=aquamarine shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 207 [label=0.000]
	208 [color=lightblue shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 208 [label=0.000]
	209 [color=lightblue shape=rarrow style=filled]
	"26 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 209 [label=0.000]
	210 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 210 [label=0.000]
	211 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 211 [label=0.000]
	212 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 212 [label=0.000]
	213 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 213 [label=0.000]
	214 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 214 [label=0.000]
	215 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 215 [label=0.000]
	216 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 216 [label=0.000]
	217 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 217 [label=0.000]
	218 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 218 [label=0.000]
	219 [color=aquamarine shape=rarrow style=filled]
	"27 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" -> 219 [label=0.000]
	220 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 220 [label=0.000]
	221 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 221 [label=0.000]
	222 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 222 [label=0.000]
	223 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 223 [label=0.000]
	224 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 224 [label=0.000]
	225 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 225 [label=0.000]
	226 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 226 [label=0.000]
	227 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 227 [label=0.000]
	228 [color=aquamarine shape=rarrow style=filled]
	"28 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 228 [label=0.000]
	229 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 229 [label=0.000]
	230 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 230 [label=0.000]
	231 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 231 [label=0.000]
	232 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 232 [label=0.000]
	233 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 233 [label=0.000]
	234 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 234 [label=0.000]
	235 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 235 [label=0.000]
	236 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 236 [label=0.000]
	237 [color=aquamarine shape=rarrow style=filled]
	"29 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 237 [label=0.000]
	238 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 238 [label=0.000]
	239 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 239 [label=0.000]
	240 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 240 [label=0.000]
	241 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 241 [label=0.000]
	242 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 242 [label=0.000]
	243 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 243 [label=0.000]
	244 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 244 [label=0.000]
	245 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 245 [label=0.000]
	246 [color=aquamarine shape=rarrow style=filled]
	"31 | C[C@H]1OCC(=O)CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" -> 246 [label=0.000]
	247 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 247 [label=0.000]
	248 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 248 [label=0.000]
	249 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 249 [label=0.000]
	250 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 250 [label=0.000]
	251 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 251 [label=0.000]
	252 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 252 [label=0.000]
	253 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 253 [label=0.000]
	254 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 254 [label=0.000]
	255 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 255 [label=0.000]
	256 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 256 [label=0.000]
	257 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 257 [label=0.000]
	258 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 258 [label=0.000]
	259 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 259 [label=0.000]
	260 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 260 [label=0.000]
	261 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 261 [label=0.000]
	262 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 262 [label=0.000]
	263 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 263 [label=0.000]
	264 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 264 [label=0.000]
	265 [color=aquamarine shape=rarrow style=filled]
	"34 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" -> 265 [label=0.000]
	266 [color=lightblue shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 266 [label=0.000]
	267 [color=lightblue shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 267 [label=0.000]
	268 [color=aquamarine shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 268 [label=0.000]
	269 [color=aquamarine shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 269 [label=0.000]
	270 [color=aquamarine shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 270 [label=0.000]
	271 [color=aquamarine shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 271 [label=0.000]
	272 [color=aquamarine shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 272 [label=0.000]
	273 [color=lightblue shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 273 [label=0.000]
	274 [color=lightblue shape=rarrow style=filled]
	"35 | Nc1nccn2cnc(-c3ccc(C(=O)O)cc3)c12" -> 274 [label=0.000]
	275 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 275 [label=0.000]
	276 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 276 [label=0.000]
	277 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 277 [label=0.000]
	278 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 278 [label=0.000]
	279 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 279 [label=0.000]
	280 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 280 [label=0.000]
	281 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 281 [label=0.000]
	282 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 282 [label=0.000]
	283 [color=aquamarine shape=rarrow style=filled]
	"36 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 283 [label=0.000]
	284 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 284 [label=0.000]
	285 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 285 [label=0.000]
	286 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 286 [label=0.000]
	287 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 287 [label=0.000]
	288 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 288 [label=0.000]
	289 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 289 [label=0.000]
	290 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 290 [label=0.000]
	291 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 291 [label=0.000]
	292 [color=aquamarine shape=rarrow style=filled]
	"38 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 292 [label=0.000]
	293 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 293 [label=0.000]
	294 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 294 [label=0.000]
	295 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 295 [label=0.000]
	296 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 296 [label=0.000]
	297 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 297 [label=0.000]
	298 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 298 [label=0.000]
	299 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 299 [label=0.000]
	300 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 300 [label=0.000]
	301 [color=aquamarine shape=rarrow style=filled]
	"40 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 301 [label=0.000]
	302 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 302 [label=0.000]
	303 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 303 [label=0.000]
	304 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 304 [label=0.000]
	305 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 305 [label=0.000]
	306 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 306 [label=0.000]
	307 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 307 [label=0.000]
	308 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 308 [label=0.000]
	309 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 309 [label=0.000]
	310 [color=aquamarine shape=rarrow style=filled]
	"41 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 310 [label=0.000]
	311 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 311 [label=0.000]
	312 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 312 [label=0.000]
	313 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 313 [label=0.000]
	314 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 314 [label=0.000]
	315 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 315 [label=0.000]
	316 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 316 [label=0.000]
	317 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 317 [label=0.000]
	318 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 318 [label=0.000]
	319 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 319 [label=0.000]
	320 [color=aquamarine shape=rarrow style=filled]
	"43 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Br)c4c(N)nccn34)CN2C1=O" -> 320 [label=0.000]
	321 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 321 [label=0.000]
	322 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 322 [label=0.000]
	323 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 323 [label=0.000]
	324 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 324 [label=0.000]
	325 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 325 [label=0.000]
	326 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 326 [label=0.000]
	327 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 327 [label=0.000]
	328 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 328 [label=0.000]
	329 [color=aquamarine shape=rarrow style=filled]
	"45 | C[C@H]1OC[C@@H]2CC[C@@H](c3nc(Cl)c4c(N)nccn34)CN2C1=O" -> 329 [label=0.000]
	330 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 330 [label=0.000]
	331 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 331 [label=0.000]
	332 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 332 [label=0.000]
	333 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 333 [label=0.000]
	334 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 334 [label=0.000]
	335 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 335 [label=0.000]
	336 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 336 [label=0.000]
	337 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 337 [label=0.000]
	338 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 338 [label=0.000]
	339 [color=aquamarine shape=rarrow style=filled]
	"47 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 339 [label=0.000]
	340 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 340 [label=0.000]
	341 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 341 [label=0.000]
	342 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 342 [label=0.000]
	343 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 343 [label=0.000]
	344 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 344 [label=0.000]
	345 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 345 [label=0.000]
	346 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 346 [label=0.000]
	347 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 347 [label=0.000]
	348 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 348 [label=0.000]
	349 [color=aquamarine shape=rarrow style=filled]
	"48 | C[C@H]1OC[C@@H]2CCCCN2C1=O" -> 349 [label=0.000]
	350 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 350 [label=0.000]
	351 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 351 [label=0.000]
	352 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 352 [label=0.000]
	353 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 353 [label=0.000]
	354 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 354 [label=0.000]
	355 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 355 [label=0.000]
	356 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 356 [label=0.000]
	357 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 357 [label=0.000]
	358 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 358 [label=0.000]
	359 [color=aquamarine shape=rarrow style=filled]
	"50 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" -> 359 [label=0.000]
	360 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 360 [label=0.000]
	361 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 361 [label=0.000]
	362 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 362 [label=0.000]
	363 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 363 [label=0.000]
	364 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 364 [label=0.000]
	365 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 365 [label=0.000]
	366 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 366 [label=0.000]
	367 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 367 [label=0.000]
	368 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@H]1OC[C@@H]2CC[C@@H](c3ncc4c(N)nccn34)CN2C1=O" -> 368 [label=0.000]
	369 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 369 [label=0.000]
	370 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 370 [label=0.000]
	371 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 371 [label=0.000]
	372 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 372 [label=0.000]
	373 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 373 [label=0.000]
	374 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 374 [label=0.000]
	375 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 375 [label=0.000]
	376 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 376 [label=0.000]
	377 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 377 [label=0.000]
	378 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 378 [label=0.000]
	379 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 379 [label=0.000]
	380 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 380 [label=0.000]
	381 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 381 [label=0.000]
	382 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 382 [label=0.000]
	383 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 383 [label=0.000]
	384 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 384 [label=0.000]
	385 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 385 [label=0.000]
	386 [color=aquamarine shape=rarrow style=filled]
	"55 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CN1)C(=O)O" -> 386 [label=0.000]
	387 [color=aquamarine shape=rarrow style=filled]
	"58 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 387 [label=0.000]
	388 [color=aquamarine shape=rarrow style=filled]
	"58 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 388 [label=0.000]
	389 [color=aquamarine shape=rarrow style=filled]
	"59 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 389 [label=0.000]
	390 [color=aquamarine shape=rarrow style=filled]
	"59 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 390 [label=0.000]
	391 [color=aquamarine shape=rarrow style=filled]
	"61 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 391 [label=0.000]
	392 [color=aquamarine shape=rarrow style=filled]
	"61 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 392 [label=0.000]
	393 [color=aquamarine shape=rarrow style=filled]
	"64 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 393 [label=0.000]
	394 [color=aquamarine shape=rarrow style=filled]
	"64 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 394 [label=0.000]
	395 [color=aquamarine shape=rarrow style=filled]
	"65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 395 [label=0.000]
	396 [color=aquamarine shape=rarrow style=filled]
	"65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 396 [label=0.000]
	397 [color=aquamarine shape=rarrow style=filled]
	"65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 397 [label=0.000]
	398 [color=aquamarine shape=rarrow style=filled]
	"65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 398 [label=0.000]
	399 [color=aquamarine shape=rarrow style=filled]
	"65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 399 [label=0.000]
	400 [color=aquamarine shape=rarrow style=filled]
	"65 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 400 [label=0.000]
	401 [color=aquamarine shape=rarrow style=filled]
	"67 | Nc1nccn2c([C@@H]3CC[C@@H](C=O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 401 [label=0.000]
	402 [color=aquamarine shape=rarrow style=filled]
	"67 | Nc1nccn2c([C@@H]3CC[C@@H](C=O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 402 [label=0.000]
	403 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 403 [label=0.000]
	404 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 404 [label=0.000]
	405 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 405 [label=0.000]
	406 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 406 [label=0.000]
	407 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 407 [label=0.000]
	408 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 408 [label=0.000]
	409 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 409 [label=0.000]
	410 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 410 [label=0.000]
	411 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 411 [label=0.000]
	412 [color=aquamarine shape=rarrow style=filled]
	"69 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CC[C@H]1CO" -> 412 [label=0.000]
	413 [color=aquamarine shape=rarrow style=filled]
	"71 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 413 [label=0.000]
	414 [color=aquamarine shape=rarrow style=filled]
	"71 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 414 [label=0.000]
	415 [color=aquamarine shape=rarrow style=filled]
	"71 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 415 [label=0.000]
	416 [color=aquamarine shape=rarrow style=filled]
	"71 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 416 [label=0.000]
	417 [color=aquamarine shape=rarrow style=filled]
	"71 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" -> 417 [label=0.000]
	418 [color=lightblue shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 418 [label=0.000]
	419 [color=lightblue shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 419 [label=0.000]
	420 [color=lightblue shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 420 [label=0.000]
	421 [color=aquamarine shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 421 [label=0.000]
	422 [color=aquamarine shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 422 [label=0.000]
	423 [color=lightblue shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 423 [label=0.000]
	424 [color=lightblue shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 424 [label=0.000]
	425 [color=aquamarine shape=rarrow style=filled]
	"73 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" -> 425 [label=0.000]
	426 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 426 [label=0.000]
	427 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 427 [label=0.000]
	428 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 428 [label=0.000]
	429 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 429 [label=0.000]
	430 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 430 [label=0.000]
	431 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 431 [label=0.000]
	432 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 432 [label=0.000]
	433 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 433 [label=0.000]
	434 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 434 [label=0.000]
	435 [color=aquamarine shape=rarrow style=filled]
	"74 | C[C@H]1OCC(=O)CCCCNC1=O" -> 435 [label=0.000]
	436 [color=aquamarine shape=rarrow style=filled]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" -> 436 [label=0.000]
	437 [color=aquamarine shape=rarrow style=filled]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" -> 437 [label=0.000]
	438 [color=aquamarine shape=rarrow style=filled]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" -> 438 [label=0.000]
	439 [color=aquamarine shape=rarrow style=filled]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" -> 439 [label=0.000]
	440 [color=aquamarine shape=rarrow style=filled]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" -> 440 [label=0.000]
	441 [color=aquamarine shape=rarrow style=filled]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" -> 441 [label=0.000]
	442 [color=aquamarine shape=rarrow style=filled]
	"75 | C[C@H]1OC[C@H](CCCCBr)NC1=O" -> 442 [label=0.000]
	443 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 443 [label=0.000]
	444 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 444 [label=0.000]
	445 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 445 [label=0.000]
	446 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 446 [label=0.000]
	447 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 447 [label=0.000]
	448 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 448 [label=0.000]
	449 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 449 [label=0.000]
	450 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 450 [label=0.000]
	451 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 451 [label=0.000]
	452 [color=aquamarine shape=rarrow style=filled]
	"76 | C[C@H]1OCC(=O)CCCCNC1=O" -> 452 [label=0.000]
	453 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 453 [label=0.000]
	454 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 454 [label=0.000]
	455 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 455 [label=0.000]
	456 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 456 [label=0.000]
	457 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 457 [label=0.000]
	458 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 458 [label=0.000]
	459 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 459 [label=0.000]
	460 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 460 [label=0.000]
	461 [color=aquamarine shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 461 [label=0.000]
	462 [color=lightblue shape=rarrow style=filled]
	"77 | C[C@H]1OC[C@H](O)CCCCNC1=O" -> 462 [label=0.000]
	463 [color=aquamarine shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 463 [label=0.000]
	464 [color=aquamarine shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 464 [label=0.000]
	465 [color=aquamarine shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 465 [label=0.000]
	466 [color=aquamarine shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 466 [label=0.000]
	467 [color=lightblue shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 467 [label=0.000]
	468 [color=lightblue shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 468 [label=0.000]
	469 [color=lightblue shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 469 [label=0.000]
	470 [color=aquamarine shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 470 [label=0.000]
	471 [color=aquamarine shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 471 [label=0.000]
	472 [color=lightblue shape=rarrow style=filled]
	"78 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" -> 472 [label=0.000]
	473 [color=aquamarine shape=rarrow style=filled]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" -> 473 [label=0.000]
	474 [color=aquamarine shape=rarrow style=filled]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" -> 474 [label=0.000]
	475 [color=aquamarine shape=rarrow style=filled]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" -> 475 [label=0.000]
	476 [color=aquamarine shape=rarrow style=filled]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" -> 476 [label=0.000]
	477 [color=aquamarine shape=rarrow style=filled]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" -> 477 [label=0.000]
	478 [color=aquamarine shape=rarrow style=filled]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" -> 478 [label=0.000]
	479 [color=aquamarine shape=rarrow style=filled]
	"79 | C[C@H]1OCCCCCCN(Br)C1=O" -> 479 [label=0.000]
	480 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 480 [label=0.000]
	481 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 481 [label=0.000]
	482 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 482 [label=0.000]
	483 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 483 [label=0.000]
	484 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 484 [label=0.000]
	485 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 485 [label=0.000]
	486 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 486 [label=0.000]
	487 [color=lightblue shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 487 [label=0.000]
	488 [color=aquamarine shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 488 [label=0.000]
	489 [color=lightblue shape=rarrow style=filled]
	"80 | O=C1COC[C@@H]2CCCCN12" -> 489 [label=0.000]
	490 [color=aquamarine shape=rarrow style=filled]
	"82 | CCOC[C@@H]1CCCCN1C(=O)Cl" -> 490 [label=0.000]
	491 [color=aquamarine shape=rarrow style=filled]
	"82 | CCOC[C@@H]1CCCCN1C(=O)Cl" -> 491 [label=0.000]
	492 [color=aquamarine shape=rarrow style=filled]
	"82 | CCOC[C@@H]1CCCCN1C(=O)Cl" -> 492 [label=0.000]
	493 [color=aquamarine shape=rarrow style=filled]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" -> 493 [label=0.000]
	494 [color=aquamarine shape=rarrow style=filled]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" -> 494 [label=0.000]
	495 [color=aquamarine shape=rarrow style=filled]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" -> 495 [label=0.000]
	496 [color=aquamarine shape=rarrow style=filled]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" -> 496 [label=0.000]
	497 [color=aquamarine shape=rarrow style=filled]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" -> 497 [label=0.000]
	498 [color=aquamarine shape=rarrow style=filled]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" -> 498 [label=0.000]
	499 [color=aquamarine shape=rarrow style=filled]
	"83 | CC(=O)OC[C@@H]1CCCCN1C=O" -> 499 [label=0.000]
	500 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 500 [label=0.000]
	501 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 501 [label=0.000]
	502 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 502 [label=0.000]
	503 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 503 [label=0.000]
	504 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 504 [label=0.000]
	505 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 505 [label=0.000]
	506 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 506 [label=0.000]
	507 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 507 [label=0.000]
	508 [color=aquamarine shape=rarrow style=filled]
	"85 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" -> 508 [label=0.000]
	509 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 509 [label=0.000]
	510 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 510 [label=0.000]
	511 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 511 [label=0.000]
	512 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 512 [label=0.000]
	513 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 513 [label=0.000]
	514 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 514 [label=0.000]
	515 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 515 [label=0.000]
	516 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 516 [label=0.000]
	517 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 517 [label=0.000]
	518 [color=aquamarine shape=rarrow style=filled]
	"86 | NC(=O)c1ccc(-c2nc(Cl)n3ccnc(N)c23)cc1" -> 518 [label=0.000]
	519 [color=lightblue shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 519 [label=0.000]
	520 [color=lightblue shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 520 [label=0.000]
	521 [color=lightblue shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 521 [label=0.000]
	522 [color=lightblue shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 522 [label=0.000]
	523 [color=aquamarine shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 523 [label=0.000]
	524 [color=lightblue shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 524 [label=0.000]
	525 [color=aquamarine shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 525 [label=0.000]
	526 [color=aquamarine shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 526 [label=0.000]
	527 [color=aquamarine shape=rarrow style=filled]
	"88 | O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1" -> 527 [label=0.000]
	528 [color=lightblue shape=rarrow style=filled]
	"89 | Nc1nccn2c(Cl)ncc12" -> 528 [label=0.000]
	"284 | Nc1nccn2c(Br)ncc12" [color=lightgrey shape=box style=filled]
	164 -> "284 | Nc1nccn2c(Br)ncc12" [label=""]
	"285 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	164 -> "285 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"286 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	165 -> "286 | Nc1nccn2c(Cl)ncc12" [label=""]
	"287 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	165 -> "287 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"288 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	166 -> "288 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"289 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	167 -> "289 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"290 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	168 -> "290 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"291 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	169 -> "291 | Nc1nccn2cncc12" [label=""]
	"292 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	169 -> "292 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"293 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	170 -> "293 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"294 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	170 -> "294 | Nc1nccn2cncc12" [label=""]
	"295 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	171 -> "295 | Nc1nccn2cncc12" [label=""]
	"296 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [color=lightgrey shape=box style=filled]
	171 -> "296 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [label=""]
	"297 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	172 -> "297 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"298 | NC=C1NC=CN=C1N" [color=lightgrey shape=box style=filled]
	172 -> "298 | NC=C1NC=CN=C1N" [label=""]
	"299 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [color=lightgrey shape=box style=filled]
	173 -> "299 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [label=""]
	"300 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	174 -> "300 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"301 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [color=lightgrey shape=box style=filled]
	175 -> "301 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [label=""]
	"302 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	176 -> "302 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"303 | C[C@H]1OC[C@H](O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	177 -> "303 | C[C@H]1OC[C@H](O)CCCCNC1=O" [label=""]
	"304 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	178 -> "304 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [label=""]
	"305 | C[C@H]1OCCCCCCN(Br)C1=O" [color=lightgrey shape=box style=filled]
	179 -> "305 | C[C@H]1OCCCCCCN(Br)C1=O" [label=""]
	"306 | O=C1COC[C@@H]2CCCCN12" [color=lightgrey shape=box style=filled]
	180 -> "306 | O=C1COC[C@@H]2CCCCN12" [label=""]
	"307 | CI" [color=lightyellow shape=box style=filled]
	180 -> "307 | CI" [label=""]
	"308 | CCOC[C@@H]1CCCCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	181 -> "308 | CCOC[C@@H]1CCCCN1C(=O)Cl" [label=""]
	"309 | CC(=O)OC[C@@H]1CCCCN1C=O" [color=lightgrey shape=box style=filled]
	182 -> "309 | CC(=O)OC[C@@H]1CCCCN1C=O" [label=""]
	"310 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	183 -> "310 | Nc1nccn2c(Cl)ncc12" [label=""]
	"311 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	183 -> "311 | O=C(O)c1ccc(Br)cc1" [label=""]
	"312 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	184 -> "312 | Nc1nccn2c(Cl)ncc12" [label=""]
	"313 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	184 -> "313 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"314 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	185 -> "314 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"315 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	185 -> "315 | O=C(O)c1ccc(Br)cc1" [label=""]
	"316 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	186 -> "316 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"317 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	186 -> "317 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"318 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	187 -> "318 | Nc1nccn2c(Cl)ncc12" [label=""]
	"319 | O=C(OBr)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	187 -> "319 | O=C(OBr)c1ccc(B(O)O)cc1" [label=""]
	"320 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	188 -> "320 | Nc1nccn2c(Cl)ncc12" [label=""]
	"321 | O=[O+]C(=O)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	188 -> "321 | O=[O+]C(=O)c1ccc(B(O)O)cc1" [label=""]
	"322 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	189 -> "322 | Nc1nccn2c(Cl)ncc12" [label=""]
	"323 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	189 -> "323 | O=C1CCC(=O)N1Br" [label=""]
	"324 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	189 -> "324 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"325 | O=C([O+])c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	190 -> "325 | O=C([O+])c1ccc(B(O)O)cc1" [label=""]
	"326 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	190 -> "326 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"327 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	190 -> "327 | Nc1nccn2c(Cl)ncc12" [label=""]
	"328 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	191 -> "328 | BrC(Br)(Br)Br" [label=""]
	"329 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	191 -> "329 | Nc1nccn2c(Cl)ncc12" [label=""]
	"330 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	191 -> "330 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"331 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	192 -> "331 | O=C(O)c1ccc(Br)cc1" [label=""]
	"332 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	192 -> "332 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"333 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	193 -> "333 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"334 | C[C@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	193 -> "334 | C[C@H](O)C(=O)O" [label=""]
	"335 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	194 -> "335 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"336 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	194 -> "336 | CC(=O)C(=O)O" [label=""]
	"337 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	195 -> "337 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"338 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	195 -> "338 | C[C@@H](O)C(=O)O" [label=""]
	"339 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	196 -> "339 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"340 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	196 -> "340 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"341 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	197 -> "341 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"342 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	197 -> "342 | O=C(O)c1ccc(Br)cc1" [label=""]
	"343 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [color=lightgrey shape=box style=filled]
	198 -> "343 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [label=""]
	"344 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	198 -> "344 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"345 | C[C@H](Br)C(=O)O" [color=lightyellow shape=box style=filled]
	199 -> "345 | C[C@H](Br)C(=O)O" [label=""]
	"346 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	199 -> "346 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"347 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	200 -> "347 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"348 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	200 -> "348 | C[C@@H](O)C(=O)O" [label=""]
	"349 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	201 -> "349 | Nc1nccn2cncc12" [label=""]
	"350 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	201 -> "350 | O=C(O)c1ccc(Br)cc1" [label=""]
	"351 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	202 -> "351 | Nc1nccn2cncc12" [label=""]
	"352 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	202 -> "352 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"353 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	203 -> "353 | Nc1nccn2cnc(Cl)c12" [label=""]
	"354 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	203 -> "354 | O=C(O)c1ccc(Br)cc1" [label=""]
	"355 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	204 -> "355 | Nc1nccn2cnc(Cl)c12" [label=""]
	"356 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	204 -> "356 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"357 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	205 -> "357 | Nc1nccn2cnc(Br)c12" [label=""]
	"358 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	205 -> "358 | O=C(O)c1ccc(Br)cc1" [label=""]
	"359 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	206 -> "359 | Nc1nccn2cnc(Br)c12" [label=""]
	"360 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	206 -> "360 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"361 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	207 -> "361 | Nc1nccn2cncc12" [label=""]
	"362 | O=C(OBr)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	207 -> "362 | O=C(OBr)c1ccc(B(O)O)cc1" [label=""]
	"363 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	208 -> "363 | Nc1nccn2cncc12" [label=""]
	"364 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	208 -> "364 | O=C1CCC(=O)N1Br" [label=""]
	"365 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	208 -> "365 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"366 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	209 -> "366 | BrC(Br)(Br)Br" [label=""]
	"367 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	209 -> "367 | Nc1nccn2cncc12" [label=""]
	"368 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	209 -> "368 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"369 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	210 -> "369 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)O" [label=""]
	"370 | CC[C@H]1CO[C@H](C)C(=O)N1CC(=O)O" [color=lightgrey shape=box style=filled]
	211 -> "370 | CC[C@H]1CO[C@H](C)C(=O)N1CC(=O)O" [label=""]
	"371 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	212 -> "371 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"372 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	212 -> "372 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"373 | C[C@H]1OCC(=O)CCC(=O)CNC1=O" [color=lightgrey shape=box style=filled]
	213 -> "373 | C[C@H]1OCC(=O)CCC(=O)CNC1=O" [label=""]
	"374 | C[C@H]1OC[C@H](CCC(=O)CBr)NC1=O" [color=lightgrey shape=box style=filled]
	214 -> "374 | C[C@H]1OC[C@H](CCC(=O)CBr)NC1=O" [label=""]
	"375 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	215 -> "375 | C[C@@H](OC[C@@H]1CCC(=O)CN1)C(=O)Cl" [label=""]
	"376 | CCOC(=O)[C@@H](C)OC[C@@H]1CCC(=O)CN1" [color=lightgrey shape=box style=filled]
	216 -> "376 | CCOC(=O)[C@@H](C)OC[C@@H]1CCC(=O)CN1" [label=""]
	"377 | CCOC(=O)CN1C(=O)[C@@H](C)OC[C@@H]1CCBr" [color=lightgrey shape=box style=filled]
	217 -> "377 | CCOC(=O)CN1C(=O)[C@@H](C)OC[C@@H]1CCBr" [label=""]
	"378 | C[C@H]1OC[C@H](CCO)N(CC(=O)O)C1=O" [color=lightgrey shape=box style=filled]
	218 -> "378 | C[C@H]1OC[C@H](CCO)N(CC(=O)O)C1=O" [label=""]
	"379 | C[C@H]1OC[C@H](O)CCC(=O)CNC1=O" [color=lightgrey shape=box style=filled]
	219 -> "379 | C[C@H]1OC[C@H](O)CCC(=O)CNC1=O" [label=""]
	"380 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	220 -> "380 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"381 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	220 -> "381 | O=C(O)c1ccc(Br)cc1" [label=""]
	"382 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	221 -> "382 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"383 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	221 -> "383 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"384 | N" [color=lightyellow shape=box style=filled]
	222 -> "384 | N" [label=""]
	"385 | C[C@H]1OCC(=O)CC[C@@H](C(O)N2C=CN=C(N)C2=Cc2ccc(C(=O)O)cc2)CNC1=O" [color=lightgrey shape=box style=filled]
	222 -> "385 | C[C@H]1OCC(=O)CC[C@@H](C(O)N2C=CN=C(N)C2=Cc2ccc(C(=O)O)cc2)CNC1=O" [label=""]
	"386 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	223 -> "386 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"387 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	223 -> "387 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"388 | C[C@@H](OCC(=O)CC[C@H](CN)c1nc(-c2ccc(C(=O)O)cc2)c2c(N)nccn12)C(=O)O" [color=lightgrey shape=box style=filled]
	224 -> "388 | C[C@@H](OCC(=O)CC[C@H](CN)c1nc(-c2ccc(C(=O)O)cc2)c2c(N)nccn12)C(=O)O" [label=""]
	"389 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	225 -> "389 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"390 | C[C@H]1OCCCC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	225 -> "390 | C[C@H]1OCCCC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [label=""]
	"391 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	226 -> "391 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"392 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	226 -> "392 | O=C(O)c1ccc(Br)cc1" [label=""]
	"393 | N" [color=lightyellow shape=box style=filled]
	227 -> "393 | N" [label=""]
	"394 | NC1=NC=CN(CO)C1=Cc1ccc(C(=O)O)cc1" [color=lightgrey shape=box style=filled]
	227 -> "394 | NC1=NC=CN(CO)C1=Cc1ccc(C(=O)O)cc1" [label=""]
	"395 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	227 -> "395 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"396 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	228 -> "396 | O=C(O)c1ccc(Br)cc1" [label=""]
	"397 | N" [color=lightyellow shape=box style=filled]
	228 -> "397 | N" [label=""]
	"398 | C=C1C(N)=NC=CN1C[C@@H]1CCC(=O)CO[C@H](C)C(=O)NC1" [color=lightgrey shape=box style=filled]
	228 -> "398 | C=C1C(N)=NC=CN1C[C@@H]1CCC(=O)CO[C@H](C)C(=O)NC1" [label=""]
	"399 | Nc1nccn2c(Br)ncc12" [color=lightgrey shape=box style=filled]
	229 -> "399 | Nc1nccn2c(Br)ncc12" [label=""]
	"400 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	229 -> "400 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"401 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	230 -> "401 | Nc1nccn2c(Cl)ncc12" [label=""]
	"402 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	230 -> "402 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"403 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	231 -> "403 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"404 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	232 -> "404 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"405 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	233 -> "405 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"406 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	234 -> "406 | Nc1nccn2cncc12" [label=""]
	"407 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	234 -> "407 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"408 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	235 -> "408 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"409 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	235 -> "409 | Nc1nccn2cncc12" [label=""]
	"410 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	236 -> "410 | Nc1nccn2cncc12" [label=""]
	"411 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [color=lightgrey shape=box style=filled]
	236 -> "411 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [label=""]
	"412 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	237 -> "412 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"413 | NC=C1NC=CN=C1N" [color=lightgrey shape=box style=filled]
	237 -> "413 | NC=C1NC=CN=C1N" [label=""]
	"414 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	238 -> "414 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"415 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	238 -> "415 | O=C(O)c1ccc(Br)cc1" [label=""]
	"416 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	239 -> "416 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"417 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	239 -> "417 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"418 | N" [color=lightyellow shape=box style=filled]
	240 -> "418 | N" [label=""]
	"419 | C[C@H]1OCC(=O)CC[C@@H](C(O)N2C=CN=C(N)C2=Cc2ccc(C(=O)O)cc2)CNC1=O" [color=lightgrey shape=box style=filled]
	240 -> "419 | C[C@H]1OCC(=O)CC[C@@H](C(O)N2C=CN=C(N)C2=Cc2ccc(C(=O)O)cc2)CNC1=O" [label=""]
	"420 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	241 -> "420 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"421 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	241 -> "421 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"422 | C[C@@H](OCC(=O)CC[C@H](CN)c1nc(-c2ccc(C(=O)O)cc2)c2c(N)nccn12)C(=O)O" [color=lightgrey shape=box style=filled]
	242 -> "422 | C[C@@H](OCC(=O)CC[C@H](CN)c1nc(-c2ccc(C(=O)O)cc2)c2c(N)nccn12)C(=O)O" [label=""]
	"423 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	243 -> "423 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"424 | C[C@H]1OCCCC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	243 -> "424 | C[C@H]1OCCCC[C@@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CNC1=O" [label=""]
	"425 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	244 -> "425 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"426 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	244 -> "426 | O=C(O)c1ccc(Br)cc1" [label=""]
	"427 | N" [color=lightyellow shape=box style=filled]
	245 -> "427 | N" [label=""]
	"428 | NC1=NC=CN(CO)C1=Cc1ccc(C(=O)O)cc1" [color=lightgrey shape=box style=filled]
	245 -> "428 | NC1=NC=CN(CO)C1=Cc1ccc(C(=O)O)cc1" [label=""]
	"429 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	245 -> "429 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"430 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	246 -> "430 | O=C(O)c1ccc(Br)cc1" [label=""]
	"431 | N" [color=lightyellow shape=box style=filled]
	246 -> "431 | N" [label=""]
	"432 | C=C1C(N)=NC=CN1C[C@@H]1CCC(=O)CO[C@H](C)C(=O)NC1" [color=lightgrey shape=box style=filled]
	246 -> "432 | C=C1C(N)=NC=CN1C[C@@H]1CCC(=O)CO[C@H](C)C(=O)NC1" [label=""]
	"433 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	247 -> "433 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"434 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	247 -> "434 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"435 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	248 -> "435 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"436 | NC1=NC=CNC1=C(N)Cl" [color=lightgrey shape=box style=filled]
	248 -> "436 | NC1=NC=CNC1=C(N)Cl" [label=""]
	"437 | NC1=NC=CNC1=CCl" [color=lightgrey shape=box style=filled]
	249 -> "437 | NC1=NC=CNC1=CCl" [label=""]
	"438 | C[C@H]1OC[C@@H]2CC[C@@H](C(=N)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	249 -> "438 | C[C@H]1OC[C@@H]2CC[C@@H](C(=N)O)CN2C1=O" [label=""]
	"439 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	250 -> "439 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"440 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	251 -> "440 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"441 | C[C@H]1OC[C@@H]2CC[C@@H](C=N)CN2C1=O" [color=lightgrey shape=box style=filled]
	252 -> "441 | C[C@H]1OC[C@@H]2CC[C@@H](C=N)CN2C1=O" [label=""]
	"442 | NC1=NC=CNC1=CCl" [color=lightgrey shape=box style=filled]
	252 -> "442 | NC1=NC=CNC1=CCl" [label=""]
	"443 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	253 -> "443 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"444 | Nc1nccn2c(Br)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	254 -> "444 | Nc1nccn2c(Br)nc(Cl)c12" [label=""]
	"445 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	254 -> "445 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"446 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	255 -> "446 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"447 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	255 -> "447 | Nc1nccn2cnc(Cl)c12" [label=""]
	"448 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	256 -> "448 | O=C1CCC(=O)N1Br" [label=""]
	"449 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	256 -> "449 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"450 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)O" [color=lightgrey shape=box style=filled]
	257 -> "450 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)O" [label=""]
	"451 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	258 -> "451 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [label=""]
	"452 | C[C@H]1OC[C@H](CC(Br)CCBr)NC1=O" [color=lightgrey shape=box style=filled]
	259 -> "452 | C[C@H]1OC[C@H](CC(Br)CCBr)NC1=O" [label=""]
	"453 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	260 -> "453 | C[C@@H](OC[C@@H]1CC(Br)CCN1)C(=O)Cl" [label=""]
	"454 | C[C@H]1OC[C@H](O)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	261 -> "454 | C[C@H]1OC[C@H](O)CC(Br)CCNC1=O" [label=""]
	"455 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	262 -> "455 | C[C@H]1OCC(=O)CC(Br)CCNC1=O" [label=""]
	"456 | C[C@H]1OC[C@H](Br)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	263 -> "456 | C[C@H]1OC[C@H](Br)CC(Br)CCNC1=O" [label=""]
	"457 | C[C@H]1OC[C@H](Cl)CC(Br)CCNC1=O" [color=lightgrey shape=box style=filled]
	264 -> "457 | C[C@H]1OC[C@H](Cl)CC(Br)CCNC1=O" [label=""]
	"458 | C[C@H]1OC[C@H](CC(Br)CCCl)NC1=O" [color=lightgrey shape=box style=filled]
	265 -> "458 | C[C@H]1OC[C@H](CC(Br)CCCl)NC1=O" [label=""]
	"459 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	266 -> "459 | Nc1nccn2cncc12" [label=""]
	"460 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	266 -> "460 | O=C(O)c1ccc(Br)cc1" [label=""]
	"461 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	267 -> "461 | Nc1nccn2cncc12" [label=""]
	"462 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	267 -> "462 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"463 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	268 -> "463 | Nc1nccn2cnc(Cl)c12" [label=""]
	"464 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	268 -> "464 | O=C(O)c1ccc(Br)cc1" [label=""]
	"465 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	269 -> "465 | Nc1nccn2cnc(Cl)c12" [label=""]
	"466 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	269 -> "466 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"467 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	270 -> "467 | Nc1nccn2cnc(Br)c12" [label=""]
	"468 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	270 -> "468 | O=C(O)c1ccc(Br)cc1" [label=""]
	"469 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	271 -> "469 | Nc1nccn2cnc(Br)c12" [label=""]
	"470 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	271 -> "470 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"471 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	272 -> "471 | Nc1nccn2cncc12" [label=""]
	"472 | O=C(OBr)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	272 -> "472 | O=C(OBr)c1ccc(B(O)O)cc1" [label=""]
	"473 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	273 -> "473 | Nc1nccn2cncc12" [label=""]
	"474 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	273 -> "474 | O=C1CCC(=O)N1Br" [label=""]
	"475 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	273 -> "475 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"476 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	274 -> "476 | BrC(Br)(Br)Br" [label=""]
	"477 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	274 -> "477 | Nc1nccn2cncc12" [label=""]
	"478 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	274 -> "478 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"479 | Nc1nccn2c(Br)ncc12" [color=lightgrey shape=box style=filled]
	275 -> "479 | Nc1nccn2c(Br)ncc12" [label=""]
	"480 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	275 -> "480 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"481 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	276 -> "481 | Nc1nccn2c(Cl)ncc12" [label=""]
	"482 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	276 -> "482 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"483 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	277 -> "483 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"484 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	278 -> "484 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"485 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	279 -> "485 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"486 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	280 -> "486 | Nc1nccn2cncc12" [label=""]
	"487 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	280 -> "487 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"488 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	281 -> "488 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"489 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	281 -> "489 | Nc1nccn2cncc12" [label=""]
	"490 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	282 -> "490 | Nc1nccn2cncc12" [label=""]
	"491 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [color=lightgrey shape=box style=filled]
	282 -> "491 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [label=""]
	"492 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	283 -> "492 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"493 | NC=C1NC=CN=C1N" [color=lightgrey shape=box style=filled]
	283 -> "493 | NC=C1NC=CN=C1N" [label=""]
	"494 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	284 -> "494 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"495 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	284 -> "495 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"496 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	285 -> "496 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"497 | NC1=NC=CNC1=C(N)Cl" [color=lightgrey shape=box style=filled]
	285 -> "497 | NC1=NC=CNC1=C(N)Cl" [label=""]
	"498 | NC1=NC=CNC1=CCl" [color=lightgrey shape=box style=filled]
	286 -> "498 | NC1=NC=CNC1=CCl" [label=""]
	"499 | C[C@H]1OC[C@@H]2CC[C@@H](C(=N)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	286 -> "499 | C[C@H]1OC[C@@H]2CC[C@@H](C(=N)O)CN2C1=O" [label=""]
	"500 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	287 -> "500 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"501 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	288 -> "501 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"502 | C[C@H]1OC[C@@H]2CC[C@@H](C=N)CN2C1=O" [color=lightgrey shape=box style=filled]
	289 -> "502 | C[C@H]1OC[C@@H]2CC[C@@H](C=N)CN2C1=O" [label=""]
	"503 | NC1=NC=CNC1=CCl" [color=lightgrey shape=box style=filled]
	289 -> "503 | NC1=NC=CNC1=CCl" [label=""]
	"504 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	290 -> "504 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"505 | Nc1nccn2c(Br)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	291 -> "505 | Nc1nccn2c(Br)nc(Cl)c12" [label=""]
	"506 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	291 -> "506 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"507 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	292 -> "507 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"508 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	292 -> "508 | Nc1nccn2cnc(Cl)c12" [label=""]
	"509 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	293 -> "509 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"510 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	293 -> "510 | NC(=O)c1ccc(Br)cc1" [label=""]
	"511 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Br)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	294 -> "511 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Br)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"512 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	294 -> "512 | NC(=O)c1ccc(Br)cc1" [label=""]
	"513 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	295 -> "513 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"514 | C[C@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	295 -> "514 | C[C@H](O)C(=O)O" [label=""]
	"515 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	296 -> "515 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"516 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	296 -> "516 | NC(=O)c1ccc(Br)cc1" [label=""]
	"517 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	297 -> "517 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"518 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	297 -> "518 | CC(=O)C(=O)O" [label=""]
	"519 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	298 -> "519 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"520 | NC(=O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	298 -> "520 | NC(=O)c1ccc(B(O)O)cc1" [label=""]
	"521 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	299 -> "521 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"522 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	299 -> "522 | C[C@@H](O)C(=O)O" [label=""]
	"523 | NC(=O)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	300 -> "523 | NC(=O)c1ccc(Cl)cc1" [label=""]
	"524 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	300 -> "524 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"525 | N" [color=lightyellow shape=box style=filled]
	301 -> "525 | N" [label=""]
	"526 | C[C@@H](OC[C@@H]1CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	301 -> "526 | C[C@@H](OC[C@@H]1CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CN1)C(=O)O" [label=""]
	"527 | Nc1nccn2c(Br)ncc12" [color=lightgrey shape=box style=filled]
	302 -> "527 | Nc1nccn2c(Br)ncc12" [label=""]
	"528 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	302 -> "528 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"529 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	303 -> "529 | Nc1nccn2c(Cl)ncc12" [label=""]
	"530 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	303 -> "530 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"531 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	304 -> "531 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"532 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	305 -> "532 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"533 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	306 -> "533 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"534 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	307 -> "534 | Nc1nccn2cncc12" [label=""]
	"535 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	307 -> "535 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"536 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	308 -> "536 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"537 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	308 -> "537 | Nc1nccn2cncc12" [label=""]
	"538 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	309 -> "538 | Nc1nccn2cncc12" [label=""]
	"539 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [color=lightgrey shape=box style=filled]
	309 -> "539 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [label=""]
	"540 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	310 -> "540 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"541 | NC=C1NC=CN=C1N" [color=lightgrey shape=box style=filled]
	310 -> "541 | NC=C1NC=CN=C1N" [label=""]
	"542 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	311 -> "542 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"543 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	311 -> "543 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"544 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	312 -> "544 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"545 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	312 -> "545 | Nc1nccn2cnc(Br)c12" [label=""]
	"546 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	313 -> "546 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"547 | NC1=NC=CNC1=C(N)Br" [color=lightgrey shape=box style=filled]
	313 -> "547 | NC1=NC=CNC1=C(N)Br" [label=""]
	"548 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	314 -> "548 | Nc1nccn2cnc(Br)c12" [label=""]
	"549 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	314 -> "549 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"550 | Nc1nccn2c(Br)nc(Br)c12" [color=lightyellow shape=box style=filled]
	315 -> "550 | Nc1nccn2c(Br)nc(Br)c12" [label=""]
	"551 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	315 -> "551 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"552 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Br)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	316 -> "552 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Br)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"553 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Br)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	317 -> "553 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Br)c3c(N)nccn23)CNC1=O" [label=""]
	"554 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Br)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	318 -> "554 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Br)c3c(N)nccn23)CNC1=O" [label=""]
	"555 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	319 -> "555 | Nc1nccn2cnc(Br)c12" [label=""]
	"556 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" [color=lightgrey shape=box style=filled]
	319 -> "556 | C[C@H]1OC[C@@H]2CC(Br)CCN2C1=O" [label=""]
	"557 | Nc1nccn2cnc(Br)c12" [color=lightgrey shape=box style=filled]
	320 -> "557 | Nc1nccn2cnc(Br)c12" [label=""]
	"558 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	320 -> "558 | O=C1CCC(=O)N1Cl" [label=""]
	"559 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	320 -> "559 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"560 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	321 -> "560 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"561 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	321 -> "561 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"562 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	322 -> "562 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"563 | NC1=NC=CNC1=C(N)Cl" [color=lightgrey shape=box style=filled]
	322 -> "563 | NC1=NC=CNC1=C(N)Cl" [label=""]
	"564 | NC1=NC=CNC1=CCl" [color=lightgrey shape=box style=filled]
	323 -> "564 | NC1=NC=CNC1=CCl" [label=""]
	"565 | C[C@H]1OC[C@@H]2CC[C@@H](C(=N)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	323 -> "565 | C[C@H]1OC[C@@H]2CC[C@@H](C(=N)O)CN2C1=O" [label=""]
	"566 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	324 -> "566 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"567 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	325 -> "567 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"568 | C[C@H]1OC[C@@H]2CC[C@@H](C=N)CN2C1=O" [color=lightgrey shape=box style=filled]
	326 -> "568 | C[C@H]1OC[C@@H]2CC[C@@H](C=N)CN2C1=O" [label=""]
	"569 | NC1=NC=CNC1=CCl" [color=lightgrey shape=box style=filled]
	326 -> "569 | NC1=NC=CNC1=CCl" [label=""]
	"570 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	327 -> "570 | C[C@H]1OCC(=O)CC[C@@H](c2nc(Cl)c3c(N)nccn23)CNC1=O" [label=""]
	"571 | Nc1nccn2c(Br)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	328 -> "571 | Nc1nccn2c(Br)nc(Cl)c12" [label=""]
	"572 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	328 -> "572 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"573 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	329 -> "573 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"574 | Nc1nccn2cnc(Cl)c12" [color=lightgrey shape=box style=filled]
	329 -> "574 | Nc1nccn2cnc(Cl)c12" [label=""]
	"575 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	330 -> "575 | Nc1nccn2c(Cl)ncc12" [label=""]
	"576 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	330 -> "576 | NC(=O)c1ccc(Br)cc1" [label=""]
	"577 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	331 -> "577 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"578 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	331 -> "578 | NC(=O)c1ccc(Br)cc1" [label=""]
	"579 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	332 -> "579 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"580 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	332 -> "580 | NC(=O)c1ccc(Br)cc1" [label=""]
	"581 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	333 -> "581 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"582 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	333 -> "582 | NC(=O)c1ccc(Br)cc1" [label=""]
	"583 | NC(=O)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	334 -> "583 | NC(=O)c1ccc(Cl)cc1" [label=""]
	"584 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	334 -> "584 | Nc1nccn2c(Cl)ncc12" [label=""]
	"585 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	335 -> "585 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"586 | NC(=O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	335 -> "586 | NC(=O)c1ccc(B(O)O)cc1" [label=""]
	"587 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	336 -> "587 | Nc1nccn2c(Cl)ncc12" [label=""]
	"588 | NC(=O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	336 -> "588 | NC(=O)c1ccc(B(O)O)cc1" [label=""]
	"589 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	337 -> "589 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"590 | NC(=O)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	337 -> "590 | NC(=O)c1ccc(Cl)cc1" [label=""]
	"591 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	338 -> "591 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"592 | NC(=O)c1ccccc1" [color=lightyellow shape=box style=filled]
	338 -> "592 | NC(=O)c1ccccc1" [label=""]
	"593 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	339 -> "593 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"594 | NC(=O)c1ccccc1" [color=lightyellow shape=box style=filled]
	339 -> "594 | NC(=O)c1ccccc1" [label=""]
	"595 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [color=lightgrey shape=box style=filled]
	340 -> "595 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [label=""]
	"596 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	341 -> "596 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"597 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [color=lightgrey shape=box style=filled]
	342 -> "597 | C[C@H]1OC[C@H](CCCCBr)NC1=O" [label=""]
	"598 | C[C@H]1OCC(=O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	343 -> "598 | C[C@H]1OCC(=O)CCCCNC1=O" [label=""]
	"599 | C[C@H]1OC[C@H](O)CCCCNC1=O" [color=lightgrey shape=box style=filled]
	344 -> "599 | C[C@H]1OC[C@H](O)CCCCNC1=O" [label=""]
	"600 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [color=lightgrey shape=box style=filled]
	345 -> "600 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)Cl" [label=""]
	"601 | C[C@H]1OCCCCCCN(Br)C1=O" [color=lightgrey shape=box style=filled]
	346 -> "601 | C[C@H]1OCCCCCCN(Br)C1=O" [label=""]
	"602 | O=C1COC[C@@H]2CCCCN12" [color=lightgrey shape=box style=filled]
	347 -> "602 | O=C1COC[C@@H]2CCCCN12" [label=""]
	"603 | CI" [color=lightyellow shape=box style=filled]
	347 -> "603 | CI" [label=""]
	"604 | CCOC[C@@H]1CCCCN1C(=O)Cl" [color=lightgrey shape=box style=filled]
	348 -> "604 | CCOC[C@@H]1CCCCN1C(=O)Cl" [label=""]
	"605 | CC(=O)OC[C@@H]1CCCCN1C=O" [color=lightgrey shape=box style=filled]
	349 -> "605 | CC(=O)OC[C@@H]1CCCCN1C=O" [label=""]
	"606 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3)CN2C1=O" [color=lightgrey shape=box style=filled]
	350 -> "606 | C[C@H]1OC[C@@H]2CC[C@@H](CN3C=CN=C(N)C3)CN2C1=O" [label=""]
	"607 | NC(=O)c1ccc(C(=O)O)cc1" [color=lightyellow shape=box style=filled]
	350 -> "607 | NC(=O)c1ccc(C(=O)O)cc1" [label=""]
	"608 | C[C@H]1OC[C@@H]2CC[C@@H](CO)CN2C1=O" [color=lightgrey shape=box style=filled]
	351 -> "608 | C[C@H]1OC[C@@H]2CC[C@@H](CO)CN2C1=O" [label=""]
	"609 | NC(=O)c1ccc(C(O)=C2NC=CN=C2N)cc1" [color=lightgrey shape=box style=filled]
	351 -> "609 | NC(=O)c1ccc(C(O)=C2NC=CN=C2N)cc1" [label=""]
	"610 | C[C@H]1OC[C@@H]2CC[C@@H](CNCCN=C(N)C=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [color=lightgrey shape=box style=filled]
	352 -> "610 | C[C@H]1OC[C@@H]2CC[C@@H](CNCCN=C(N)C=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [label=""]
	"611 | C[C@@H](OC[C@@H]1CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	353 -> "611 | C[C@@H](OC[C@@H]1CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CN1)C(=O)O" [label=""]
	"612 | C[C@H]1OC[C@@H]2CC[C@@H](CNC=CN=C(N)CC(O)c3ccc(C(N)=O)cc3)CN2C1=O" [color=lightgrey shape=box style=filled]
	354 -> "612 | C[C@H]1OC[C@@H]2CC[C@@H](CNC=CN=C(N)CC(O)c3ccc(C(N)=O)cc3)CN2C1=O" [label=""]
	"613 | C[C@H]1OCC(=O)CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CNC1=O" [color=lightgrey shape=box style=filled]
	355 -> "613 | C[C@H]1OCC(=O)CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CNC1=O" [label=""]
	"614 | C[C@H]1OC[C@@H]2CC[C@@H](CNC=CN=C(N)C=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [color=lightgrey shape=box style=filled]
	356 -> "614 | C[C@H]1OC[C@@H]2CC[C@@H](CNC=CN=C(N)C=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [label=""]
	"615 | C[C@H]1OCC(=O)CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CNC1=O" [color=lightgrey shape=box style=filled]
	357 -> "615 | C[C@H]1OCC(=O)CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CNC1=O" [label=""]
	"616 | C[C@H]1OC[C@@H]2CC[C@@H](C=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	358 -> "616 | C[C@H]1OC[C@@H]2CC[C@@H](C=O)CN2C1=O" [label=""]
	"617 | NC(=O)c1ccc(C(O)=C2NC=CN=C2N)cc1" [color=lightgrey shape=box style=filled]
	358 -> "617 | NC(=O)c1ccc(C(O)=C2NC=CN=C2N)cc1" [label=""]
	"618 | C[C@H]1OC[C@@H]2CC[C@@H](CNC=CN=C(N)C=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [color=lightgrey shape=box style=filled]
	359 -> "618 | C[C@H]1OC[C@@H]2CC[C@@H](CNC=CN=C(N)C=C(O)c3ccc(C(N)=O)cc3)CN2C1=O" [label=""]
	"619 | Nc1nccn2c(Br)ncc12" [color=lightgrey shape=box style=filled]
	360 -> "619 | Nc1nccn2c(Br)ncc12" [label=""]
	"620 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	360 -> "620 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"621 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	361 -> "621 | Nc1nccn2c(Cl)ncc12" [label=""]
	"622 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [color=lightgrey shape=box style=filled]
	361 -> "622 | C[C@H]1OC[C@@H]2CCCCN2C1=O" [label=""]
	"623 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	362 -> "623 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"624 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	363 -> "624 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"625 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [color=lightgrey shape=box style=filled]
	364 -> "625 | C[C@H]1OCC(=O)CC[C@@H](c2ncc3c(N)nccn23)CNC1=O" [label=""]
	"626 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	365 -> "626 | Nc1nccn2cncc12" [label=""]
	"627 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [color=lightgrey shape=box style=filled]
	365 -> "627 | C[C@H]1OC[C@@H]2CCC(=O)CN2C1=O" [label=""]
	"628 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [color=lightgrey shape=box style=filled]
	366 -> "628 | C[C@H]1OC[C@@H]2CC[C@@H](B3OC(C)(C)C(C)(C)O3)CN2C1=O" [label=""]
	"629 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	366 -> "629 | Nc1nccn2cncc12" [label=""]
	"630 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	367 -> "630 | Nc1nccn2cncc12" [label=""]
	"631 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [color=lightgrey shape=box style=filled]
	367 -> "631 | C[C@H]1OC[C@@H]2CC[C@@H](Br)CN2C1=O" [label=""]
	"632 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [color=lightgrey shape=box style=filled]
	368 -> "632 | C[C@H]1OC[C@@H]2CC[C@@H](C(=O)O)CN2C1=O" [label=""]
	"633 | NC=C1NC=CN=C1N" [color=lightgrey shape=box style=filled]
	368 -> "633 | NC=C1NC=CN=C1N" [label=""]
	"634 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	369 -> "634 | O=C(O)c1ccc(Br)cc1" [label=""]
	"635 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	369 -> "635 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"636 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	370 -> "636 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"637 | C[C@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	370 -> "637 | C[C@H](O)C(=O)O" [label=""]
	"638 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	371 -> "638 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"639 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	371 -> "639 | CC(=O)C(=O)O" [label=""]
	"640 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	372 -> "640 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"641 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	372 -> "641 | C[C@@H](O)C(=O)O" [label=""]
	"642 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	373 -> "642 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"643 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	373 -> "643 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"644 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	374 -> "644 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"645 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	374 -> "645 | O=C(O)c1ccc(Br)cc1" [label=""]
	"646 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [color=lightgrey shape=box style=filled]
	375 -> "646 | C[C@@H](OC[C@@H]1CCCCN1)C(=O)O" [label=""]
	"647 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	375 -> "647 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"648 | C[C@H](Br)C(=O)O" [color=lightyellow shape=box style=filled]
	376 -> "648 | C[C@H](Br)C(=O)O" [label=""]
	"649 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	376 -> "649 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"650 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	377 -> "650 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"651 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	377 -> "651 | C[C@@H](O)C(=O)O" [label=""]
	"652 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	378 -> "652 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"653 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	378 -> "653 | NC(=O)c1ccc(Br)cc1" [label=""]
	"654 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Br)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	379 -> "654 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Br)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"655 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	379 -> "655 | NC(=O)c1ccc(Br)cc1" [label=""]
	"656 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	380 -> "656 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"657 | C[C@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	380 -> "657 | C[C@H](O)C(=O)O" [label=""]
	"658 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	381 -> "658 | C[C@@H](OC[C@@H]1CC[C@@H](c2nc(Cl)c3c(N)nccn23)CN1)C(=O)O" [label=""]
	"659 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	381 -> "659 | NC(=O)c1ccc(Br)cc1" [label=""]
	"660 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	382 -> "660 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"661 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	382 -> "661 | CC(=O)C(=O)O" [label=""]
	"662 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	383 -> "662 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"663 | NC(=O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	383 -> "663 | NC(=O)c1ccc(B(O)O)cc1" [label=""]
	"664 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	384 -> "664 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"665 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	384 -> "665 | C[C@@H](O)C(=O)O" [label=""]
	"666 | NC(=O)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	385 -> "666 | NC(=O)c1ccc(Cl)cc1" [label=""]
	"667 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	385 -> "667 | C[C@@H](OC[C@@H]1CC[C@@H](c2ncc3c(N)nccn23)CN1)C(=O)O" [label=""]
	"668 | N" [color=lightyellow shape=box style=filled]
	386 -> "668 | N" [label=""]
	"669 | C[C@@H](OC[C@@H]1CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CN1)C(=O)O" [color=lightgrey shape=box style=filled]
	386 -> "669 | C[C@@H](OC[C@@H]1CC[C@@H](CN2C=CN=C(N)C2=C(O)c2ccc(C(N)=O)cc2)CN1)C(=O)O" [label=""]
	"670 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	387 -> "670 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"671 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	387 -> "671 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"672 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	388 -> "672 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"673 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	388 -> "673 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"674 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	389 -> "674 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"675 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	389 -> "675 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"676 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	390 -> "676 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"677 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	390 -> "677 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"678 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	391 -> "678 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"679 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	391 -> "679 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"680 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	392 -> "680 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"681 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	392 -> "681 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"682 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	393 -> "682 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"683 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	393 -> "683 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"684 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	394 -> "684 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CO)NC3)n3ccnc(N)c23)cc1" [label=""]
	"685 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	394 -> "685 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"686 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	395 -> "686 | Nc1nccn2c([C@@H]3CC[C@@H](CBr)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"687 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	395 -> "687 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"688 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CBr)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	396 -> "688 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](CBr)NC3)n3ccnc(N)c23)cc1" [label=""]
	"689 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	396 -> "689 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"690 | C[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1" [color=lightgrey shape=box style=filled]
	397 -> "690 | C[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1" [label=""]
	"691 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	397 -> "691 | O=C1CCC(=O)N1Br" [label=""]
	"692 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	398 -> "692 | BrC(Br)(Br)Br" [label=""]
	"693 | C[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1" [color=lightgrey shape=box style=filled]
	398 -> "693 | C[C@@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CN1" [label=""]
	"694 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	399 -> "694 | BrC(Br)(Br)Br" [label=""]
	"695 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	399 -> "695 | Nc1nccn2c([C@@H]3CC[C@@H](CO)NC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"696 | Nc1nccn2cnc(-c3ccc(C(=O)[NH+](O)c4cc(C(F)(F)F)c(Br)c[n+]4Br)cc3)c12" [color=lightgrey shape=box style=filled]
	400 -> "696 | Nc1nccn2cnc(-c3ccc(C(=O)[NH+](O)c4cc(C(F)(F)F)c(Br)c[n+]4Br)cc3)c12" [label=""]
	"697 | O=C1CC[C@@H](C(Br)[Br+]Cl)NC1=O" [color=lightgrey shape=box style=filled]
	400 -> "697 | O=C1CC[C@@H](C(Br)[Br+]Cl)NC1=O" [label=""]
	"698 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	401 -> "698 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"699 | Nc1nccn2c([C@@H]3CC[C@@H](C=O)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	401 -> "699 | Nc1nccn2c([C@@H]3CC[C@@H](C=O)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"700 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C=O)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	402 -> "700 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C=O)NC3)n3ccnc(N)c23)cc1" [label=""]
	"701 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	402 -> "701 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"702 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	403 -> "702 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"703 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CC[C@H]1CO" [color=lightgrey shape=box style=filled]
	403 -> "703 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)O)cc3)c3c(N)nccn23)CC[C@H]1CO" [label=""]
	"704 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CC[C@H]1CO" [color=lightgrey shape=box style=filled]
	404 -> "704 | CC(C)(C)OC(=O)N1C[C@H](c2nc(-c3ccc(C(N)=O)cc3)c3c(N)nccn23)CC[C@H]1CO" [label=""]
	"705 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	404 -> "705 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"706 | CC(C)(C)OC(=O)N1CCCC[C@H]1CO" [color=lightyellow shape=box style=filled]
	405 -> "706 | CC(C)(C)OC(=O)N1CCCC[C@H]1CO" [label=""]
	"707 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	405 -> "707 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"708 | CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1CO" [color=lightgrey shape=box style=filled]
	406 -> "708 | CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1CO" [label=""]
	"709 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	406 -> "709 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"710 | CC(C)(C)OC(=O)N1C[C@H](Br)CC[C@H]1CO" [color=lightgrey shape=box style=filled]
	407 -> "710 | CC(C)(C)OC(=O)N1C[C@H](Br)CC[C@H]1CO" [label=""]
	"711 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	407 -> "711 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"712 | CC(C)(C)OC(=O)N1C[C@H](B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO" [color=lightgrey shape=box style=filled]
	408 -> "712 | CC(C)(C)OC(=O)N1C[C@H](B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO" [label=""]
	"713 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	408 -> "713 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"714 | CC(C)(C)OC(=O)N1C[C@H](Cl)CC[C@H]1CO" [color=lightgrey shape=box style=filled]
	409 -> "714 | CC(C)(C)OC(=O)N1C[C@H](Cl)CC[C@H]1CO" [label=""]
	"715 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	409 -> "715 | Nc1nccn2cnc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"716 | CC(C)(C=O)OC(=O)N1CCCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	410 -> "716 | CC(C)(C=O)OC(=O)N1CCCC[C@H]1CO" [label=""]
	"717 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	410 -> "717 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"718 | CC(C)(C=O)OC(=O)N1CCCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	411 -> "718 | CC(C)(C=O)OC(=O)N1CCCC[C@H]1CO" [label=""]
	"719 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	411 -> "719 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"720 | CC(C)(C=O)OC(=O)N1CCCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	412 -> "720 | CC(C)(C=O)OC(=O)N1CCCC[C@H]1CO" [label=""]
	"721 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [color=lightgrey shape=box style=filled]
	412 -> "721 | Nc1nccn2c(Cl)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12" [label=""]
	"722 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [color=lightgrey shape=box style=filled]
	413 -> "722 | Nc1nccn2c([C@@H]3CC[C@@H](C(O)O)NC3)nc(-c3ccc(C(=O)O)cc3)c12" [label=""]
	"723 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	413 -> "723 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"724 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C(O)O)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	414 -> "724 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C(O)O)NC3)n3ccnc(N)c23)cc1" [label=""]
	"725 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	414 -> "725 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"726 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C(=O)O)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	415 -> "726 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C(=O)O)NC3)n3ccnc(N)c23)cc1" [label=""]
	"727 | FC(F)(F)c1ccncc1" [color=lightyellow shape=box style=filled]
	415 -> "727 | FC(F)(F)c1ccncc1" [label=""]
	"728 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C(=O)O)NC3)n3ccnc(N)c23)cc1" [color=lightgrey shape=box style=filled]
	416 -> "728 | NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](C(=O)O)NC3)n3ccnc(N)c23)cc1" [label=""]
	"729 | FC(F)(F)c1ccncc1" [color=lightyellow shape=box style=filled]
	416 -> "729 | FC(F)(F)c1ccncc1" [label=""]
	"730 | O=CO" [color=lightyellow shape=box style=filled]
	417 -> "730 | O=CO" [label=""]
	"731 | O[NH+]c1cc(C(F)(F)F)cc[n+]1Br" [color=lightgrey shape=box style=filled]
	417 -> "731 | O[NH+]c1cc(C(F)(F)F)cc[n+]1Br" [label=""]
	"732 | Nc1nccn2c([C@@H]3CCC(=O)NC3=O)nc(-c3ccc([C]=O)cc3)c12" [color=lightgrey shape=box style=filled]
	417 -> "732 | Nc1nccn2c([C@@H]3CCC(=O)NC3=O)nc(-c3ccc([C]=O)cc3)c12" [label=""]
	"733 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	418 -> "733 | OC[C@@H]1CCCCN1" [label=""]
	"734 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	418 -> "734 | C[C@@H](O)C(=O)O" [label=""]
	"735 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	419 -> "735 | OC[C@@H]1CCCCN1" [label=""]
	"736 | CC(=O)C(=O)O" [color=lightyellow shape=box style=filled]
	419 -> "736 | CC(=O)C(=O)O" [label=""]
	"737 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	420 -> "737 | OC[C@@H]1CCCCN1" [label=""]
	"738 | C[C@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	420 -> "738 | C[C@H](O)C(=O)O" [label=""]
	"739 | OC(O)[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	421 -> "739 | OC(O)[C@@H]1CCCCN1" [label=""]
	"740 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	421 -> "740 | CCC(=O)O" [label=""]
	"741 | BrC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	422 -> "741 | BrC[C@@H]1CCCCN1" [label=""]
	"742 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	422 -> "742 | C[C@@H](O)C(=O)O" [label=""]
	"743 | O=C(O)[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	423 -> "743 | O=C(O)[C@@H]1CCCCN1" [label=""]
	"744 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	423 -> "744 | CCC(=O)O" [label=""]
	"745 | C[C@H](Br)C(=O)O" [color=lightyellow shape=box style=filled]
	424 -> "745 | C[C@H](Br)C(=O)O" [label=""]
	"746 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	424 -> "746 | OC[C@@H]1CCCCN1" [label=""]
	"747 | CCOC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	425 -> "747 | CCOC[C@@H]1CCCCN1" [label=""]
	"748 | O=C=O" [color=lightyellow shape=box style=filled]
	425 -> "748 | O=C=O" [label=""]
	"749 | C[C@@H](OCC(=O)CCCCN)C(=O)O" [color=lightgrey shape=box style=filled]
	426 -> "749 | C[C@@H](OCC(=O)CCCCN)C(=O)O" [label=""]
	"750 | CO[C@H](C)C(=O)NCCCCC(=O)O" [color=lightgrey shape=box style=filled]
	427 -> "750 | CO[C@H](C)C(=O)NCCCCC(=O)O" [label=""]
	"751 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	428 -> "751 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"752 | C[C@H]1OCCCCCCNC1=O" [color=lightgrey shape=box style=filled]
	428 -> "752 | C[C@H]1OCCCCCCNC1=O" [label=""]
	"753 | CCOCC(=O)CCCCN=C=O" [color=lightgrey shape=box style=filled]
	429 -> "753 | CCOCC(=O)CCCCN=C=O" [label=""]
	"754 | CO[C@H](C)C(=O)NCCCCC(=O)Cl" [color=lightgrey shape=box style=filled]
	430 -> "754 | CO[C@H](C)C(=O)NCCCCC(=O)Cl" [label=""]
	"755 | CC(=O)C(=O)NCCCCC(=O)CO" [color=lightgrey shape=box style=filled]
	431 -> "755 | CC(=O)C(=O)NCCCCC(=O)CO" [label=""]
	"756 | C[C@H](O)C(=O)NCCCCC(=O)CO" [color=lightgrey shape=box style=filled]
	432 -> "756 | C[C@H](O)C(=O)NCCCCC(=O)CO" [label=""]
	"757 | CCOCC(=O)CCCCNC(=O)O" [color=lightgrey shape=box style=filled]
	433 -> "757 | CCOCC(=O)CCCCNC(=O)O" [label=""]
	"758 | CCOCC(=O)CCCCNC(=O)Cl" [color=lightgrey shape=box style=filled]
	434 -> "758 | CCOCC(=O)CCCCNC(=O)Cl" [label=""]
	"759 | NCCCCC(=O)CO" [color=lightgrey shape=box style=filled]
	435 -> "759 | NCCCCC(=O)CO" [label=""]
	"760 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	435 -> "760 | CCC(=O)O" [label=""]
	"761 | C[C@H]1OCCNC1=O" [color=lightgrey shape=box style=filled]
	436 -> "761 | C[C@H]1OCCNC1=O" [label=""]
	"762 | BrCCCCBr" [color=lightyellow shape=box style=filled]
	436 -> "762 | BrCCCCBr" [label=""]
	"763 | C[C@H]1CO[C@H](C)C(=O)N1" [color=lightgrey shape=box style=filled]
	437 -> "763 | C[C@H]1CO[C@H](C)C(=O)N1" [label=""]
	"764 | BrCCCBr" [color=lightyellow shape=box style=filled]
	437 -> "764 | BrCCCBr" [label=""]
	"765 | C[C@@H](OC[C@@H](N)CCCCBr)C(=O)O" [color=lightgrey shape=box style=filled]
	438 -> "765 | C[C@@H](OC[C@@H](N)CCCCBr)C(=O)O" [label=""]
	"766 | CCCBr" [color=lightyellow shape=box style=filled]
	439 -> "766 | CCCBr" [label=""]
	"767 | C[C@H]1OC[C@H](CBr)NC1=O" [color=lightgrey shape=box style=filled]
	439 -> "767 | C[C@H]1OC[C@H](CBr)NC1=O" [label=""]
	"768 | CCCBr" [color=lightyellow shape=box style=filled]
	440 -> "768 | CCCBr" [label=""]
	"769 | C[C@H]1OC[C@H](CO)NC1=O" [color=lightgrey shape=box style=filled]
	440 -> "769 | C[C@H]1OC[C@H](CO)NC1=O" [label=""]
	"770 | C[C@H]1OC[C@H](CBr)NC1=O" [color=lightgrey shape=box style=filled]
	441 -> "770 | C[C@H]1OC[C@H](CBr)NC1=O" [label=""]
	"771 | CCC(Br)Br" [color=lightgrey shape=box style=filled]
	441 -> "771 | CCC(Br)Br" [label=""]
	"772 | C[C@H]1OC[C@H](CO)NC1=O" [color=lightgrey shape=box style=filled]
	442 -> "772 | C[C@H]1OC[C@H](CO)NC1=O" [label=""]
	"773 | CCC(Br)Br" [color=lightgrey shape=box style=filled]
	442 -> "773 | CCC(Br)Br" [label=""]
	"774 | C[C@@H](OCC(=O)CCCCN)C(=O)O" [color=lightgrey shape=box style=filled]
	443 -> "774 | C[C@@H](OCC(=O)CCCCN)C(=O)O" [label=""]
	"775 | CO[C@H](C)C(=O)NCCCCC(=O)O" [color=lightgrey shape=box style=filled]
	444 -> "775 | CO[C@H](C)C(=O)NCCCCC(=O)O" [label=""]
	"776 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	445 -> "776 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"777 | C[C@H]1OCCCCCCNC1=O" [color=lightgrey shape=box style=filled]
	445 -> "777 | C[C@H]1OCCCCCCNC1=O" [label=""]
	"778 | CCOCC(=O)CCCCN=C=O" [color=lightgrey shape=box style=filled]
	446 -> "778 | CCOCC(=O)CCCCN=C=O" [label=""]
	"779 | CO[C@H](C)C(=O)NCCCCC(=O)Cl" [color=lightgrey shape=box style=filled]
	447 -> "779 | CO[C@H](C)C(=O)NCCCCC(=O)Cl" [label=""]
	"780 | CC(=O)C(=O)NCCCCC(=O)CO" [color=lightgrey shape=box style=filled]
	448 -> "780 | CC(=O)C(=O)NCCCCC(=O)CO" [label=""]
	"781 | C[C@H](O)C(=O)NCCCCC(=O)CO" [color=lightgrey shape=box style=filled]
	449 -> "781 | C[C@H](O)C(=O)NCCCCC(=O)CO" [label=""]
	"782 | CCOCC(=O)CCCCNC(=O)O" [color=lightgrey shape=box style=filled]
	450 -> "782 | CCOCC(=O)CCCCNC(=O)O" [label=""]
	"783 | CCOCC(=O)CCCCNC(=O)Cl" [color=lightgrey shape=box style=filled]
	451 -> "783 | CCOCC(=O)CCCCNC(=O)Cl" [label=""]
	"784 | NCCCCC(=O)CO" [color=lightgrey shape=box style=filled]
	452 -> "784 | NCCCCC(=O)CO" [label=""]
	"785 | CCC(=O)O" [color=lightyellow shape=box style=filled]
	452 -> "785 | CCC(=O)O" [label=""]
	"786 | C[C@@H](OC[C@H](O)CCCCN)C(=O)O" [color=lightgrey shape=box style=filled]
	453 -> "786 | C[C@@H](OC[C@H](O)CCCCN)C(=O)O" [label=""]
	"787 | CO[C@H](C)C(=O)NCCCCC(=O)O" [color=lightgrey shape=box style=filled]
	454 -> "787 | CO[C@H](C)C(=O)NCCCCC(=O)O" [label=""]
	"788 | CCOC[C@H](O)CCCCN=C=O" [color=lightgrey shape=box style=filled]
	455 -> "788 | CCOC[C@H](O)CCCCN=C=O" [label=""]
	"789 | CO[C@H](C)C(=O)NCCCCC=O" [color=lightgrey shape=box style=filled]
	456 -> "789 | CO[C@H](C)C(=O)NCCCCC=O" [label=""]
	"790 | CCCCNC(=O)[C@@H](C)OCC=O" [color=lightgrey shape=box style=filled]
	457 -> "790 | CCCCNC(=O)[C@@H](C)OCC=O" [label=""]
	"791 | CCOC[C@H](O)CCCCNC(=O)O" [color=lightgrey shape=box style=filled]
	458 -> "791 | CCOC[C@H](O)CCCCNC(=O)O" [label=""]
	"792 | O=C1COC[C@H](O)CCCCN1" [color=lightgrey shape=box style=filled]
	459 -> "792 | O=C1COC[C@H](O)CCCCN1" [label=""]
	"793 | CI" [color=lightyellow shape=box style=filled]
	459 -> "793 | CI" [label=""]
	"794 | CCOC[C@H](O)CCCCNC(=O)Cl" [color=lightgrey shape=box style=filled]
	460 -> "794 | CCOC[C@H](O)CCCCNC(=O)Cl" [label=""]
	"795 | CCCCNC(=O)[C@@H](C)OCC(=O)O" [color=lightgrey shape=box style=filled]
	461 -> "795 | CCCCNC(=O)[C@@H](C)OCC(=O)O" [label=""]
	"796 | NCCCCCO" [color=lightyellow shape=box style=filled]
	462 -> "796 | NCCCCCO" [label=""]
	"797 | CO[C@H](C)C(=O)O" [color=lightyellow shape=box style=filled]
	462 -> "797 | CO[C@H](C)C(=O)O" [label=""]
	"798 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	463 -> "798 | OC[C@@H]1CCCCN1" [label=""]
	"799 | C[C@H](Br)C(=O)Cl" [color=lightgrey shape=box style=filled]
	463 -> "799 | C[C@H](Br)C(=O)Cl" [label=""]
	"800 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	464 -> "800 | OC[C@@H]1CCCCN1" [label=""]
	"801 | C[C@H](O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	464 -> "801 | C[C@H](O)C(=O)Cl" [label=""]
	"802 | C[C@@H](O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	465 -> "802 | C[C@@H](O)C(=O)Cl" [label=""]
	"803 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	465 -> "803 | OC[C@@H]1CCCCN1" [label=""]
	"804 | CCOC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	466 -> "804 | CCOC[C@@H]1CCCCN1" [label=""]
	"805 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	466 -> "805 | O=C(Cl)Cl" [label=""]
	"806 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	467 -> "806 | OC[C@@H]1CCCCN1" [label=""]
	"807 | CC(=O)C(=O)Cl" [color=lightyellow shape=box style=filled]
	467 -> "807 | CC(=O)C(=O)Cl" [label=""]
	"808 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	468 -> "808 | OC[C@@H]1CCCCN1" [label=""]
	"809 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	468 -> "809 | O=C(Cl)Cl" [label=""]
	"810 | CC" [color=lightyellow shape=box style=filled]
	468 -> "810 | CC" [label=""]
	"811 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	469 -> "811 | OC[C@@H]1CCCCN1" [label=""]
	"812 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	469 -> "812 | O=C(Cl)Cl" [label=""]
	"813 | CCI" [color=lightyellow shape=box style=filled]
	469 -> "813 | CCI" [label=""]
	"814 | OC(O)[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	470 -> "814 | OC(O)[C@@H]1CCCCN1" [label=""]
	"815 | CCC(=O)Cl" [color=lightyellow shape=box style=filled]
	470 -> "815 | CCC(=O)Cl" [label=""]
	"816 | C[C@@H](O)C(=O)Cl" [color=lightgrey shape=box style=filled]
	471 -> "816 | C[C@@H](O)C(=O)Cl" [label=""]
	"817 | BrC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	471 -> "817 | BrC[C@@H]1CCCCN1" [label=""]
	"818 | OC[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	472 -> "818 | OC[C@@H]1CCCCN1" [label=""]
	"819 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	472 -> "819 | O=C(Cl)Cl" [label=""]
	"820 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	472 -> "820 | CC[Mg+]" [label=""]
	"821 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	473 -> "821 | O=C1CCC(=O)N1Br" [label=""]
	"822 | C[C@H]1OCCCCCCNC1=O" [color=lightgrey shape=box style=filled]
	473 -> "822 | C[C@H]1OCCCCCCNC1=O" [label=""]
	"823 | C[C@@H](OCCCCCCNBr)C(=O)O" [color=lightgrey shape=box style=filled]
	474 -> "823 | C[C@@H](OCCCCCCNBr)C(=O)O" [label=""]
	"824 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	475 -> "824 | BrC(Br)(Br)Br" [label=""]
	"825 | C[C@H]1OCCCCCCNC1=O" [color=lightgrey shape=box style=filled]
	475 -> "825 | C[C@H]1OCCCCCCNC1=O" [label=""]
	"826 | C[C@@H](OCCCCCCNBr)C(=O)Cl" [color=lightgrey shape=box style=filled]
	476 -> "826 | C[C@@H](OCCCCCCNBr)C(=O)Cl" [label=""]
	"827 | CCOC(=O)[C@@H](C)OCCCCCCNBr" [color=lightgrey shape=box style=filled]
	477 -> "827 | CCOC(=O)[C@@H](C)OCCCCCCNBr" [label=""]
	"828 | C[C@H]1OCCC(Br)CCCNC1=O" [color=lightgrey shape=box style=filled]
	478 -> "828 | C[C@H]1OCCC(Br)CCCNC1=O" [label=""]
	"829 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	478 -> "829 | BrC(Br)(Br)Br" [label=""]
	"830 | OBr" [color=lightgrey shape=box style=filled]
	479 -> "830 | OBr" [label=""]
	"831 | Br" [color=lightyellow shape=box style=filled]
	479 -> "831 | Br" [label=""]
	"832 | CCC(=O)N(Br)CCCCCC(O)O" [color=lightgrey shape=box style=filled]
	479 -> "832 | CCC(=O)N(Br)CCCCCC(O)O" [label=""]
	"833 | O=C(O)COC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	480 -> "833 | O=C(O)COC[C@@H]1CCCCN1" [label=""]
	"834 | O=C(Cl)COC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	481 -> "834 | O=C(Cl)COC[C@@H]1CCCCN1" [label=""]
	"835 | O=C1CCCCNC(=O)COC1" [color=lightgrey shape=box style=filled]
	482 -> "835 | O=C1CCCCNC(=O)COC1" [label=""]
	"836 | O=C1COC[C@H](CCCCBr)N1" [color=lightgrey shape=box style=filled]
	483 -> "836 | O=C1COC[C@H](CCCCBr)N1" [label=""]
	"837 | O=C(CO)N1CCCC[C@H]1CBr" [color=lightgrey shape=box style=filled]
	484 -> "837 | O=C(CO)N1CCCC[C@H]1CBr" [label=""]
	"838 | O=C1COC[C@H](O)CCCCN1" [color=lightgrey shape=box style=filled]
	485 -> "838 | O=C1COC[C@H](O)CCCCN1" [label=""]
	"839 | O=C1COC[C@H](CCCCO)N1" [color=lightgrey shape=box style=filled]
	486 -> "839 | O=C1COC[C@H](CCCCO)N1" [label=""]
	"840 | O=C(CO)N1CCCC[C@H]1CO" [color=lightyellow shape=box style=filled]
	487 -> "840 | O=C(CO)N1CCCC[C@H]1CO" [label=""]
	"841 | O=C1COC[C@H](CCCCI)N1" [color=lightgrey shape=box style=filled]
	488 -> "841 | O=C1COC[C@H](CCCCI)N1" [label=""]
	"842 | C[C@@H]1CCCCN1" [color=lightyellow shape=box style=filled]
	489 -> "842 | C[C@@H]1CCCCN1" [label=""]
	"843 | O=C(O)CO" [color=lightyellow shape=box style=filled]
	489 -> "843 | O=C(O)CO" [label=""]
	"844 | CCOC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	490 -> "844 | CCOC[C@@H]1CCCCN1" [label=""]
	"845 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	490 -> "845 | O=C(Cl)Cl" [label=""]
	"846 | Cl[Cl+]Cl" [color=lightgrey shape=box style=filled]
	491 -> "846 | Cl[Cl+]Cl" [label=""]
	"847 | CCOC(=O)[C@@H]1C(=O)CC(=O)C(O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	491 -> "847 | CCOC(=O)[C@@H]1C(=O)CC(=O)C(O)N1C(=O)Cl" [label=""]
	"848 | [O]" [color=lightyellow shape=box style=filled]
	492 -> "848 | [O]" [label=""]
	"849 | Cl[Cl+]Cl" [color=lightgrey shape=box style=filled]
	492 -> "849 | Cl[Cl+]Cl" [label=""]
	"850 | CCOC[C@@H]1C(=O)C[C]C(O)N1C(=O)Cl" [color=lightgrey shape=box style=filled]
	492 -> "850 | CCOC[C@@H]1C(=O)C[C]C(O)N1C(=O)Cl" [label=""]
	"851 | O=CN1CCCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	493 -> "851 | O=CN1CCCC[C@H]1CO" [label=""]
	"852 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	493 -> "852 | CC(=O)Cl" [label=""]
	"853 | O=CO" [color=lightyellow shape=box style=filled]
	494 -> "853 | O=CO" [label=""]
	"854 | CC(=O)OC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	494 -> "854 | CC(=O)OC[C@@H]1CCCCN1" [label=""]
	"855 | CC(=O)O" [color=lightyellow shape=box style=filled]
	495 -> "855 | CC(=O)O" [label=""]
	"856 | O=CN1CCCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	495 -> "856 | O=CN1CCCC[C@H]1CO" [label=""]
	"857 | CC(=O)O" [color=lightyellow shape=box style=filled]
	496 -> "857 | CC(=O)O" [label=""]
	"858 | O=CN1CCCC[C@H]1CO" [color=lightgrey shape=box style=filled]
	496 -> "858 | O=CN1CCCC[C@H]1CO" [label=""]
	"859 | CC(=O)O" [color=lightyellow shape=box style=filled]
	497 -> "859 | CC(=O)O" [label=""]
	"860 | O=CN1CCCC[C@H]1CBr" [color=lightgrey shape=box style=filled]
	497 -> "860 | O=CN1CCCC[C@H]1CBr" [label=""]
	"861 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	498 -> "861 | CN(C)C=O" [label=""]
	"862 | CC(=O)OC[C@@H]1CCCCN1" [color=lightgrey shape=box style=filled]
	498 -> "862 | CC(=O)OC[C@@H]1CCCCN1" [label=""]
	"863 | CC(=O)O" [color=lightyellow shape=box style=filled]
	499 -> "863 | CC(=O)O" [label=""]
	"864 | O=C[C@@H]1CCCCN1C=O" [color=lightgrey shape=box style=filled]
	499 -> "864 | O=C[C@@H]1CCCCN1C=O" [label=""]
	"865 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	500 -> "865 | Nc1nccn2c(Cl)ncc12" [label=""]
	"866 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	500 -> "866 | O=C(O)c1ccc(Br)cc1" [label=""]
	"867 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	501 -> "867 | Nc1nccn2c(Cl)ncc12" [label=""]
	"868 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	501 -> "868 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"869 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	502 -> "869 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"870 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	502 -> "870 | O=C(O)c1ccc(Br)cc1" [label=""]
	"871 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	503 -> "871 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"872 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	503 -> "872 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"873 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	504 -> "873 | Nc1nccn2c(Cl)ncc12" [label=""]
	"874 | O=C(OBr)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	504 -> "874 | O=C(OBr)c1ccc(B(O)O)cc1" [label=""]
	"875 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	505 -> "875 | Nc1nccn2c(Cl)ncc12" [label=""]
	"876 | O=[O+]C(=O)c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	505 -> "876 | O=[O+]C(=O)c1ccc(B(O)O)cc1" [label=""]
	"877 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	506 -> "877 | Nc1nccn2c(Cl)ncc12" [label=""]
	"878 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	506 -> "878 | O=C1CCC(=O)N1Br" [label=""]
	"879 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	506 -> "879 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"880 | O=C([O+])c1ccc(B(O)O)cc1" [color=lightgrey shape=box style=filled]
	507 -> "880 | O=C([O+])c1ccc(B(O)O)cc1" [label=""]
	"881 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	507 -> "881 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"882 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	507 -> "882 | Nc1nccn2c(Cl)ncc12" [label=""]
	"883 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	508 -> "883 | BrC(Br)(Br)Br" [label=""]
	"884 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	508 -> "884 | Nc1nccn2c(Cl)ncc12" [label=""]
	"885 | O=C(O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	508 -> "885 | O=C(O)c1ccc(B(O)O)cc1" [label=""]
	"886 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	509 -> "886 | Nc1nccn2c(Cl)ncc12" [label=""]
	"887 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	509 -> "887 | NC(=O)c1ccc(Br)cc1" [label=""]
	"888 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	510 -> "888 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"889 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	510 -> "889 | NC(=O)c1ccc(Br)cc1" [label=""]
	"890 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	511 -> "890 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"891 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	511 -> "891 | NC(=O)c1ccc(Br)cc1" [label=""]
	"892 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	512 -> "892 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"893 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	512 -> "893 | NC(=O)c1ccc(Br)cc1" [label=""]
	"894 | NC(=O)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	513 -> "894 | NC(=O)c1ccc(Cl)cc1" [label=""]
	"895 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	513 -> "895 | Nc1nccn2c(Cl)ncc12" [label=""]
	"896 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	514 -> "896 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"897 | NC(=O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	514 -> "897 | NC(=O)c1ccc(B(O)O)cc1" [label=""]
	"898 | Nc1nccn2c(Cl)ncc12" [color=lightgrey shape=box style=filled]
	515 -> "898 | Nc1nccn2c(Cl)ncc12" [label=""]
	"899 | NC(=O)c1ccc(B(O)O)cc1" [color=lightyellow shape=box style=filled]
	515 -> "899 | NC(=O)c1ccc(B(O)O)cc1" [label=""]
	"900 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	516 -> "900 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"901 | NC(=O)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	516 -> "901 | NC(=O)c1ccc(Cl)cc1" [label=""]
	"902 | Nc1nccn2c(Cl)nc(Cl)c12" [color=lightgrey shape=box style=filled]
	517 -> "902 | Nc1nccn2c(Cl)nc(Cl)c12" [label=""]
	"903 | NC(=O)c1ccccc1" [color=lightyellow shape=box style=filled]
	517 -> "903 | NC(=O)c1ccccc1" [label=""]
	"904 | Nc1nccn2c(Cl)nc(Br)c12" [color=lightgrey shape=box style=filled]
	518 -> "904 | Nc1nccn2c(Cl)nc(Br)c12" [label=""]
	"905 | NC(=O)c1ccccc1" [color=lightyellow shape=box style=filled]
	518 -> "905 | NC(=O)c1ccccc1" [label=""]
	"906 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	519 -> "906 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"907 | O=C(O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	519 -> "907 | O=C(O)c1ccc(Br)cc1" [label=""]
	"908 | Nc1cc(C(F)(F)F)ccn1" [color=lightyellow shape=box style=filled]
	520 -> "908 | Nc1cc(C(F)(F)F)ccn1" [label=""]
	"909 | O=C(Cl)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	520 -> "909 | O=C(Cl)c1ccc(Br)cc1" [label=""]
	"910 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	521 -> "910 | NC(=O)c1ccc(Br)cc1" [label=""]
	"911 | FC(F)(F)c1ccnc(Cl)c1" [color=lightyellow shape=box style=filled]
	521 -> "911 | FC(F)(F)c1ccnc(Cl)c1" [label=""]
	"912 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	522 -> "912 | NC(=O)c1ccc(Br)cc1" [label=""]
	"913 | FC(F)(F)c1ccnc(Br)c1" [color=lightyellow shape=box style=filled]
	522 -> "913 | FC(F)(F)c1ccnc(Br)c1" [label=""]
	"914 | FC(F)(F)c1cc[n+](Br)cc1" [color=lightgrey shape=box style=filled]
	523 -> "914 | FC(F)(F)c1cc[n+](Br)cc1" [label=""]
	"915 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	523 -> "915 | NC(=O)c1ccc(Br)cc1" [label=""]
	"916 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	524 -> "916 | O=C1CCC(=O)N1Br" [label=""]
	"917 | FC(F)(F)c1ccncc1" [color=lightyellow shape=box style=filled]
	524 -> "917 | FC(F)(F)c1ccncc1" [label=""]
	"918 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	524 -> "918 | NC(=O)c1ccc(Br)cc1" [label=""]
	"919 | FC(F)(F)c1cc[n+](Br)c(Br)c1" [color=lightgrey shape=box style=filled]
	525 -> "919 | FC(F)(F)c1cc[n+](Br)c(Br)c1" [label=""]
	"920 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	525 -> "920 | NC(=O)c1ccc(Br)cc1" [label=""]
	"921 | FC(F)(F)c1cc[n+](Br)c(Cl)c1" [color=lightgrey shape=box style=filled]
	526 -> "921 | FC(F)(F)c1cc[n+](Br)c(Cl)c1" [label=""]
	"922 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	526 -> "922 | NC(=O)c1ccc(Br)cc1" [label=""]
	"923 | FC(F)(F)c1cc(Cl)[n+](Br)c(Br)c1Br" [color=lightgrey shape=box style=filled]
	527 -> "923 | FC(F)(F)c1cc(Cl)[n+](Br)c(Br)c1Br" [label=""]
	"924 | NC(=O)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	527 -> "924 | NC(=O)c1ccc(Br)cc1" [label=""]
	"925 | Nc1nccn2cncc12" [color=lightyellow shape=box style=filled]
	528 -> "925 | Nc1nccn2cncc12" [label=""]
	"926 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	528 -> "926 | O=C1CCC(=O)N1Cl" [label=""]
}
