digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 2 [label=0.000]
	3 [color=lightblue shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)c1ccc(OC2CCC3(CC2)N[C@@H](C(=O)O)C(C)(C)S3)cc1" -> 10 [label=0.000]
	"2 | CC(C)c1ccc(Br)cc1" [color=lightyellow shape=box style=filled]
	1 -> "2 | CC(C)c1ccc(Br)cc1" [label=""]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" [color=aquamarine shape=box style=filled]
	1 -> "3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" [label=""]
	"4 | CC(C)c1ccc(O)cc1" [color=lightyellow shape=box style=filled]
	2 -> "4 | CC(C)c1ccc(O)cc1" [label=""]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" [color=aquamarine shape=box style=filled]
	2 -> "5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" [label=""]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [color=lightblue shape=box style=filled]
	3 -> "6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [label=""]
	"7 | CC(C)c1ccc(O)cc1" [color=lightyellow shape=box style=filled]
	3 -> "7 | CC(C)c1ccc(O)cc1" [label=""]
	"8 | CC(C)c1ccc(F)cc1" [color=lightyellow shape=box style=filled]
	4 -> "8 | CC(C)c1ccc(F)cc1" [label=""]
	"9 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	4 -> "9 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" [label=""]
	"10 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	5 -> "10 | O=C1CCC(=O)N1Br" [label=""]
	"11 | CC(C)c1ccc(O)cc1" [color=lightyellow shape=box style=filled]
	5 -> "11 | CC(C)c1ccc(O)cc1" [label=""]
	"12 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	5 -> "12 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [label=""]
	"13 | CC(C)c1ccc(O)cc1" [color=lightyellow shape=box style=filled]
	6 -> "13 | CC(C)c1ccc(O)cc1" [label=""]
	"14 | CC1(C)SC2(CCC(Cl)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	6 -> "14 | CC1(C)SC2(CCC(Cl)CC2)N[C@H]1C(=O)O" [label=""]
	"15 | CC(C)c1ccc(Cl)cc1" [color=lightyellow shape=box style=filled]
	7 -> "15 | CC(C)c1ccc(Cl)cc1" [label=""]
	"16 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	7 -> "16 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" [label=""]
	"17 | O=C=O" [color=lightyellow shape=box style=filled]
	8 -> "17 | O=C=O" [label=""]
	"18 | CC(C)c1ccc(OC2CCC3(CC2)NCC(C)(C)S3)cc1" [color=lightgrey shape=box style=filled]
	8 -> "18 | CC(C)c1ccc(OC2CCC3(CC2)NCC(C)(C)S3)cc1" [label=""]
	"19 | CC1(C)SC2(CC=CCC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	9 -> "19 | CC1(C)SC2(CC=CCC2)N[C@H]1C(=O)O" [label=""]
	"20 | CC(C)c1ccc(O)cc1" [color=lightyellow shape=box style=filled]
	9 -> "20 | CC(C)c1ccc(O)cc1" [label=""]
	"21 | CC1(C)SC2(CC=CCC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	10 -> "21 | CC1(C)SC2(CC=CCC2)N[C@H]1C(=O)O" [label=""]
	"22 | CC(C)c1ccc(O)cc1" [color=lightyellow shape=box style=filled]
	10 -> "22 | CC(C)c1ccc(O)cc1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | CC1(C)SC2(CCC(O)CC2)N[C@H]1C(=O)O" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 32 [label=0.000]
	33 [color=lightblue shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"6 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" -> 38 [label=0.000]
	"23 | CC1(C)CNC2(CCC(O)CC2)S1" [color=lightgrey shape=box style=filled]
	11 -> "23 | CC1(C)CNC2(CCC(O)CC2)S1" [label=""]
	"24 | O=C=O" [color=lightyellow shape=box style=filled]
	11 -> "24 | O=C=O" [label=""]
	"25 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	12 -> "25 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"26 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	12 -> "26 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [label=""]
	"27 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	13 -> "27 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" [label=""]
	"28 | O" [color=lightyellow shape=box style=filled]
	13 -> "28 | O" [label=""]
	"29 | CC(C)([S])[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	14 -> "29 | CC(C)([S])[CH]C(=O)O" [label=""]
	"30 | [NH][C]1CCC(O)CC1" [color=lightgrey shape=box style=filled]
	14 -> "30 | [NH][C]1CCC(O)CC1" [label=""]
	"31 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	15 -> "31 | CC1(C)SC2(CCC(=O)CC2)N[C@H]1C(=O)O" [label=""]
	"32 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	16 -> "32 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [label=""]
	"33 | O" [color=lightyellow shape=box style=filled]
	16 -> "33 | O" [label=""]
	"34 | CC(C)(S)[C@@H](NC1CCC(=O)CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	17 -> "34 | CC(C)(S)[C@@H](NC1CCC(=O)CC1)C(=O)O" [label=""]
	"35 | CC(C)[C@@H](NC1CCC(O)CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	18 -> "35 | CC(C)[C@@H](NC1CCC(O)CC1)C(=O)O" [label=""]
	"36 | OS" [color=lightyellow shape=box style=filled]
	18 -> "36 | OS" [label=""]
	"37 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	19 -> "37 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"38 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	19 -> "38 | CC1(C)SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [label=""]
	"39 | CCC1(CCC(=O)O)N[C@@H](C(=O)O)C(C)(C)S1" [color=lightgrey shape=box style=filled]
	20 -> "39 | CCC1(CCC(=O)O)N[C@@H](C(=O)O)C(C)(C)S1" [label=""]
	"40 | CC1(C)CNC2(CCC(=O)CC2)S1" [color=lightgrey shape=box style=filled]
	21 -> "40 | CC1(C)CNC2(CCC(=O)CC2)S1" [label=""]
	"41 | O=C=O" [color=lightyellow shape=box style=filled]
	21 -> "41 | O=C=O" [label=""]
	"42 | CCC1(CCC(=O)Cl)N[C@@H](C(=O)O)C(C)(C)S1" [color=lightgrey shape=box style=filled]
	22 -> "42 | CCC1(CCC(=O)Cl)N[C@@H](C(=O)O)C(C)(C)S1" [label=""]
	"43 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	23 -> "43 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"44 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	23 -> "44 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [label=""]
	"45 | CC(C)(S)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	24 -> "45 | CC(C)(S)C(=O)C(=O)O" [label=""]
	"46 | NC1CCC(=O)CC1" [color=lightyellow shape=box style=filled]
	24 -> "46 | NC1CCC(=O)CC1" [label=""]
	"47 | CC(=O)C1(CCC(=O)O)N[C@@H](C(=O)O)C(C)(C)S1" [color=lightgrey shape=box style=filled]
	25 -> "47 | CC(=O)C1(CCC(=O)O)N[C@@H](C(=O)O)C(C)(C)S1" [label=""]
	"48 | CC(C)(O)[C@@H](NC1(S)CCC(=O)CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	26 -> "48 | CC(C)(O)[C@@H](NC1(S)CCC(=O)CC1)C(=O)O" [label=""]
	"49 | CC(C)(Cl)[C@@H](NC1(S)CCC(=O)CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	27 -> "49 | CC(C)(Cl)[C@@H](NC1(S)CCC(=O)CC1)C(=O)O" [label=""]
	"50 | CC(C)([S])[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	28 -> "50 | CC(C)([S])[CH]C(=O)O" [label=""]
	"51 | [NH][C]1CCC(=O)CC1" [color=lightgrey shape=box style=filled]
	28 -> "51 | [NH][C]1CCC(=O)CC1" [label=""]
	"52 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	29 -> "52 | O=C1CCC(=O)N1Br" [label=""]
	"53 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	29 -> "53 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [label=""]
	"54 | CC1(C)CNC2(CCC(Br)CC2)S1" [color=lightgrey shape=box style=filled]
	30 -> "54 | CC1(C)CNC2(CCC(Br)CC2)S1" [label=""]
	"55 | O=C=O" [color=lightyellow shape=box style=filled]
	30 -> "55 | O=C=O" [label=""]
	"56 | CC1SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	31 -> "56 | CC1SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [label=""]
	"57 | CI" [color=lightyellow shape=box style=filled]
	31 -> "57 | CI" [label=""]
	"58 | CC1SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	32 -> "58 | CC1SC2(CCC(Br)CC2)N[C@H]1C(=O)O" [label=""]
	"59 | CI" [color=lightyellow shape=box style=filled]
	32 -> "59 | CI" [label=""]
	"60 | O=C1CCC(Br)CC1" [color=lightyellow shape=box style=filled]
	33 -> "60 | O=C1CCC(Br)CC1" [label=""]
	"61 | CC(C)(S)[C@@H](N)C(=O)O" [color=lightyellow shape=box style=filled]
	33 -> "61 | CC(C)(S)[C@@H](N)C(=O)O" [label=""]
	"62 | CC(C)(S)C(=O)C(=O)O" [color=lightgrey shape=box style=filled]
	34 -> "62 | CC(C)(S)C(=O)C(=O)O" [label=""]
	"63 | NC1CCC(Br)CC1" [color=lightyellow shape=box style=filled]
	34 -> "63 | NC1CCC(Br)CC1" [label=""]
	"64 | CC(C)([S])[CH]C(=O)O" [color=lightgrey shape=box style=filled]
	35 -> "64 | CC(C)([S])[CH]C(=O)O" [label=""]
	"65 | [NH][C]1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	35 -> "65 | [NH][C]1CCC(Br)CC1" [label=""]
	"66 | OS" [color=lightyellow shape=box style=filled]
	36 -> "66 | OS" [label=""]
	"67 | CC(C)[C@@H](NC1CCC(Br)CC1)C(=O)O" [color=lightgrey shape=box style=filled]
	36 -> "67 | CC(C)[C@@H](NC1CCC(Br)CC1)C(=O)O" [label=""]
	"68 | OBr" [color=lightgrey shape=box style=filled]
	37 -> "68 | OBr" [label=""]
	"69 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [color=lightgrey shape=box style=filled]
	37 -> "69 | CC1(C)SC2(CCCCC2)N[C@H]1C(=O)O" [label=""]
	"70 | N=C1CCC(Br)CC1" [color=lightgrey shape=box style=filled]
	38 -> "70 | N=C1CCC(Br)CC1" [label=""]
	"71 | CC(C)(S)CC(=O)O" [color=lightyellow shape=box style=filled]
	38 -> "71 | CC(C)(S)CC(=O)O" [label=""]
}
