digraph G {
	rankdir=LR
	node [shape=box]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 2 [label=0.000]
	3 [color=lightblue shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1ccn2cc(CO)n(-c3ccccc3)c(=O)c12" -> 9 [label=0.000]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" [color=aquamarine shape=box style=filled]
	1 -> "2 | Cc1ccn2cc(CO)[nH]c(=O)c12" [label=""]
	"3 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	1 -> "3 | Ic1ccccc1" [label=""]
	"4 | OB(O)c1ccccc1" [color=lightyellow shape=box style=filled]
	2 -> "4 | OB(O)c1ccccc1" [label=""]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" [color=aquamarine shape=box style=filled]
	2 -> "5 | Cc1ccn2cc(CO)[nH]c(=O)c12" [label=""]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" [color=lightblue shape=box style=filled]
	3 -> "6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" [label=""]
	"7 | Cc1ccn2cc(CO)[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	4 -> "7 | Cc1ccn2cc(CO)[nH]c(=O)c12" [label=""]
	"8 | Brc1ccccc1" [color=lightyellow shape=box style=filled]
	4 -> "8 | Brc1ccccc1" [label=""]
	"9 | Cc1ccn2cc(C(=O)O)n(-c3ccccc3)c(=O)c12" [color=lightgrey shape=box style=filled]
	5 -> "9 | Cc1ccn2cc(C(=O)O)n(-c3ccccc3)c(=O)c12" [label=""]
	"10 | O=c1[nH]c(CO)cn2ccc(CBr)c12" [color=lightgrey shape=box style=filled]
	6 -> "10 | O=c1[nH]c(CO)cn2ccc(CBr)c12" [label=""]
	"11 | OB(O)c1ccccc1" [color=lightyellow shape=box style=filled]
	6 -> "11 | OB(O)c1ccccc1" [label=""]
	"12 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)Cl" [color=lightgrey shape=box style=filled]
	7 -> "12 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)Cl" [label=""]
	"13 | Cc1ccn2cc(C=O)n(-c3ccccc3)c(=O)c12" [color=lightgrey shape=box style=filled]
	8 -> "13 | Cc1ccn2cc(C=O)n(-c3ccccc3)c(=O)c12" [label=""]
	"14 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" [color=lightgrey shape=box style=filled]
	9 -> "14 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" [label=""]
	10 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 10 [label=0.000]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | Cc1ccn2cc(CO)[nH]c(=O)c12" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 33 [label=0.000]
	34 [color=lightblue shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 34 [label=0.000]
	35 [color=lightblue shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 35 [label=0.000]
	36 [color=lightblue shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 36 [label=0.000]
	37 [color=lightblue shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 37 [label=0.000]
	38 [color=lightblue shape=rarrow style=filled]
	"6 | Cc1ccn(C=C(CO)Nc2ccccc2)c1C(=O)O" -> 38 [label=0.000]
	"15 | Cc1ccn2cc(C(=O)O)[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	10 -> "15 | Cc1ccn2cc(C(=O)O)[nH]c(=O)c12" [label=""]
	"16 | Cc1ccn(C=C(N)CO)c1C(=O)O" [color=lightgrey shape=box style=filled]
	11 -> "16 | Cc1ccn(C=C(N)CO)c1C(=O)O" [label=""]
	"17 | Cc1ccn2cc[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	12 -> "17 | Cc1ccn2cc[nH]c(=O)c12" [label=""]
	"18 | C=O" [color=lightyellow shape=box style=filled]
	12 -> "18 | C=O" [label=""]
	"19 | O=c1[nH]c(CO)cn2cccc12" [color=lightgrey shape=box style=filled]
	13 -> "19 | O=c1[nH]c(CO)cn2cccc12" [label=""]
	"20 | CI" [color=lightyellow shape=box style=filled]
	13 -> "20 | CI" [label=""]
	"21 | Cc1ccn(C=CCO)c1C(=O)O" [color=lightgrey shape=box style=filled]
	14 -> "21 | Cc1ccn(C=CCO)c1C(=O)O" [label=""]
	"22 | N" [color=lightyellow shape=box style=filled]
	14 -> "22 | N" [label=""]
	"23 | CCO" [color=lightyellow shape=box style=filled]
	15 -> "23 | CCO" [label=""]
	"24 | Cc1ccn(C=O)c1C(N)=O" [color=lightgrey shape=box style=filled]
	15 -> "24 | Cc1ccn(C=O)c1C(N)=O" [label=""]
	"25 | O=CO" [color=lightyellow shape=box style=filled]
	16 -> "25 | O=CO" [label=""]
	"26 | Cc1ccn2cc[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	16 -> "26 | Cc1ccn2cc[nH]c(=O)c12" [label=""]
	"27 | Cc1ccn(C=C(N)CO)c1C(=O)Cl" [color=lightgrey shape=box style=filled]
	17 -> "27 | Cc1ccn(C=C(N)CO)c1C(=O)Cl" [label=""]
	"28 | Cc1ccn(C)c1C(N)=O" [color=lightyellow shape=box style=filled]
	18 -> "28 | Cc1ccn(C)c1C(N)=O" [label=""]
	"29 | O=CCO" [color=lightgrey shape=box style=filled]
	18 -> "29 | O=CCO" [label=""]
	"30 | Cc1ccn2cc(C(O)O)[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	19 -> "30 | Cc1ccn2cc(C(O)O)[nH]c(=O)c12" [label=""]
	"31 | Cc1ccn2cc(C(=O)O)[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	20 -> "31 | Cc1ccn2cc(C(=O)O)[nH]c(=O)c12" [label=""]
	"32 | Cc1ccn(C=C(N)CO)c1C(=O)O" [color=lightgrey shape=box style=filled]
	21 -> "32 | Cc1ccn(C=C(N)CO)c1C(=O)O" [label=""]
	"33 | Cc1ccn2cc[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	22 -> "33 | Cc1ccn2cc[nH]c(=O)c12" [label=""]
	"34 | C=O" [color=lightyellow shape=box style=filled]
	22 -> "34 | C=O" [label=""]
	"35 | O=c1[nH]c(CO)cn2cccc12" [color=lightgrey shape=box style=filled]
	23 -> "35 | O=c1[nH]c(CO)cn2cccc12" [label=""]
	"36 | CI" [color=lightyellow shape=box style=filled]
	23 -> "36 | CI" [label=""]
	"37 | Cc1ccn(C=CCO)c1C(=O)O" [color=lightgrey shape=box style=filled]
	24 -> "37 | Cc1ccn(C=CCO)c1C(=O)O" [label=""]
	"38 | N" [color=lightyellow shape=box style=filled]
	24 -> "38 | N" [label=""]
	"39 | CCO" [color=lightyellow shape=box style=filled]
	25 -> "39 | CCO" [label=""]
	"40 | Cc1ccn(C=O)c1C(N)=O" [color=lightgrey shape=box style=filled]
	25 -> "40 | Cc1ccn(C=O)c1C(N)=O" [label=""]
	"41 | O=CO" [color=lightyellow shape=box style=filled]
	26 -> "41 | O=CO" [label=""]
	"42 | Cc1ccn2cc[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	26 -> "42 | Cc1ccn2cc[nH]c(=O)c12" [label=""]
	"43 | Cc1ccn(C=C(N)CO)c1C(=O)Cl" [color=lightgrey shape=box style=filled]
	27 -> "43 | Cc1ccn(C=C(N)CO)c1C(=O)Cl" [label=""]
	"44 | Cc1ccn(C)c1C(N)=O" [color=lightyellow shape=box style=filled]
	28 -> "44 | Cc1ccn(C)c1C(N)=O" [label=""]
	"45 | O=CCO" [color=lightgrey shape=box style=filled]
	28 -> "45 | O=CCO" [label=""]
	"46 | Cc1ccn2cc(C(O)O)[nH]c(=O)c12" [color=lightgrey shape=box style=filled]
	29 -> "46 | Cc1ccn2cc(C(O)O)[nH]c(=O)c12" [label=""]
	"47 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	30 -> "47 | Cc1cc[nH]c1C(=O)O" [label=""]
	"48 | C=C(Nc1ccccc1)C(O)Cl" [color=lightgrey shape=box style=filled]
	30 -> "48 | C=C(Nc1ccccc1)C(O)Cl" [label=""]
	"49 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	31 -> "49 | Cc1cc[nH]c1C(=O)O" [label=""]
	"50 | C=C(CO)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	31 -> "50 | C=C(CO)Nc1ccccc1" [label=""]
	"51 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	32 -> "51 | Cc1cc[nH]c1C(=O)O" [label=""]
	"52 | OCC(=CCl)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	32 -> "52 | OCC(=CCl)Nc1ccccc1" [label=""]
	"53 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	33 -> "53 | Cc1cc[nH]c1C(=O)O" [label=""]
	"54 | C=C(Nc1ccccc1)C(O)Br" [color=lightgrey shape=box style=filled]
	33 -> "54 | C=C(Nc1ccccc1)C(O)Br" [label=""]
	"55 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	34 -> "55 | Cc1cc[nH]c1C(=O)O" [label=""]
	"56 | CCCO" [color=lightyellow shape=box style=filled]
	34 -> "56 | CCCO" [label=""]
	"57 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	34 -> "57 | Nc1ccccc1" [label=""]
	"58 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	35 -> "58 | Cc1cc[nH]c1C(=O)O" [label=""]
	"59 | O=CCCO" [color=lightyellow shape=box style=filled]
	35 -> "59 | O=CCCO" [label=""]
	"60 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	35 -> "60 | Nc1ccccc1" [label=""]
	"61 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	36 -> "61 | Cc1cc[nH]c1C(=O)O" [label=""]
	"62 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	36 -> "62 | Nc1ccccc1" [label=""]
	"63 | CC(=O)CO" [color=lightyellow shape=box style=filled]
	36 -> "63 | CC(=O)CO" [label=""]
	"64 | Cc1ccn(C)c1C(=O)O" [color=lightyellow shape=box style=filled]
	37 -> "64 | Cc1ccn(C)c1C(=O)O" [label=""]
	"65 | O=C(CO)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	37 -> "65 | O=C(CO)Nc1ccccc1" [label=""]
	"66 | Cc1cc[nH]c1C(=O)O" [color=lightyellow shape=box style=filled]
	38 -> "66 | Cc1cc[nH]c1C(=O)O" [label=""]
	"67 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	38 -> "67 | Nc1ccccc1" [label=""]
	"68 | C=C(Br)CO" [color=lightyellow shape=box style=filled]
	38 -> "68 | C=C(Br)CO" [label=""]
}
