digraph G {
	rankdir=LR
	node [shape=box]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 1 [label=0.000]
	2 [color=lightblue shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1" -> 10 [label=0.000]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" [color=aquamarine shape=box style=filled]
	1 -> "2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" [label=""]
	"3 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	1 -> "3 | N[C@H]1CCc2ccccc21" [label=""]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [color=lightblue shape=box style=filled]
	2 -> "4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [label=""]
	"5 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightblue shape=box style=filled]
	2 -> "5 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"6 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	3 -> "6 | O=C1CCc2ccccc21" [label=""]
	"7 | Nc1ncnc2c([C@@H]3C=C(COCc4ccccc4)[C@@H](O)C3)cnn12" [color=lightgrey shape=box style=filled]
	3 -> "7 | Nc1ncnc2c([C@@H]3C=C(COCc4ccccc4)[C@@H](O)C3)cnn12" [label=""]
	"8 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1Br" [color=lightgrey shape=box style=filled]
	4 -> "8 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1Br" [label=""]
	"9 | COCc1ccccc1" [color=lightyellow shape=box style=filled]
	4 -> "9 | COCc1ccccc1" [label=""]
	"10 | ClCOCc1ccccc1" [color=lightyellow shape=box style=filled]
	5 -> "10 | ClCOCc1ccccc1" [label=""]
	"11 | O[C@@H]1C=C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [color=lightgrey shape=box style=filled]
	5 -> "11 | O[C@@H]1C=C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [label=""]
	"12 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	6 -> "12 | Clc1ncnc2ccnn12" [label=""]
	"13 | O[C@H]1CCC=C1COCc1ccccc1" [color=lightgrey shape=box style=filled]
	6 -> "13 | O[C@H]1CCC=C1COCc1ccccc1" [label=""]
	"14 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	6 -> "14 | N[C@H]1CCc2ccccc21" [label=""]
	"15 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1CBr" [color=lightgrey shape=box style=filled]
	7 -> "15 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1CBr" [label=""]
	"16 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	7 -> "16 | OCc1ccccc1" [label=""]
	"17 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1Cl" [color=lightgrey shape=box style=filled]
	8 -> "17 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1Cl" [label=""]
	"18 | COCc1ccccc1" [color=lightyellow shape=box style=filled]
	8 -> "18 | COCc1ccccc1" [label=""]
	"19 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	9 -> "19 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [label=""]
	"20 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	9 -> "20 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"21 | CC(C)(C)OC(=O)O[C@H]1C[C@H](c2cnn3cncnc23)C=C1COCc1ccccc1" [color=lightgrey shape=box style=filled]
	10 -> "21 | CC(C)(C)OC(=O)O[C@H]1C[C@H](c2cnn3cncnc23)C=C1COCc1ccccc1" [label=""]
	"22 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	10 -> "22 | N[C@H]1CCc2ccccc21" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1COCc1ccccc1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 21 [label=0.000]
	22 [color=lightblue shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 24 [label=0.000]
	25 [color=lightblue shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"4 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" -> 29 [label=0.000]
	30 [color=lightblue shape=rarrow style=filled]
	"5 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 30 [label=0.000]
	31 [color=lightblue shape=rarrow style=filled]
	"5 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 31 [label=0.000]
	32 [color=lightblue shape=rarrow style=filled]
	"5 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"5 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"5 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 34 [label=0.000]
	"23 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	11 -> "23 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [label=""]
	"24 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	11 -> "24 | Clc1ncnc2ccnn12" [label=""]
	"25 | O[C@H]1CCC=C1COCc1ccccc1" [color=lightgrey shape=box style=filled]
	12 -> "25 | O[C@H]1CCC=C1COCc1ccccc1" [label=""]
	"26 | Clc1ncnc2c(Br)cnn12" [color=lightgrey shape=box style=filled]
	12 -> "26 | Clc1ncnc2c(Br)cnn12" [label=""]
	"27 | O[C@H]1CCC=C1COCc1ccccc1" [color=lightgrey shape=box style=filled]
	13 -> "27 | O[C@H]1CCC=C1COCc1ccccc1" [label=""]
	"28 | Clc1cnn2c(Cl)ncnc12" [color=lightgrey shape=box style=filled]
	13 -> "28 | Clc1cnn2c(Cl)ncnc12" [label=""]
	"29 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	14 -> "29 | O=C1C=C(COCc2ccccc2)[C@@H](O)C1" [label=""]
	"30 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	14 -> "30 | Clc1ncnc2ccnn12" [label=""]
	"31 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	15 -> "31 | OCc1ccccc1" [label=""]
	"32 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1CBr" [color=lightgrey shape=box style=filled]
	15 -> "32 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1CBr" [label=""]
	"33 | ClCOCc1ccccc1" [color=lightyellow shape=box style=filled]
	16 -> "33 | ClCOCc1ccccc1" [label=""]
	"34 | O[C@@H]1C=C[C@@H](c2cnn3c(Cl)ncnc23)C1" [color=lightgrey shape=box style=filled]
	16 -> "34 | O[C@@H]1C=C[C@@H](c2cnn3c(Cl)ncnc23)C1" [label=""]
	"35 | O[C@H]1C[C@H](c2cnn3cncnc23)C=C1COCc1ccccc1" [color=lightgrey shape=box style=filled]
	17 -> "35 | O[C@H]1C[C@H](c2cnn3cncnc23)C=C1COCc1ccccc1" [label=""]
	"36 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	17 -> "36 | O=C1CCC(=O)N1Cl" [label=""]
	"37 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1Br" [color=lightgrey shape=box style=filled]
	18 -> "37 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C=C1Br" [label=""]
	"38 | COCc1ccccc1" [color=lightyellow shape=box style=filled]
	18 -> "38 | COCc1ccccc1" [label=""]
	"39 | O=CC[C@@H](C=CCOCc1ccccc1)c1cnn2c(Cl)ncnc12" [color=lightgrey shape=box style=filled]
	19 -> "39 | O=CC[C@@H](C=CCOCc1ccccc1)c1cnn2c(Cl)ncnc12" [label=""]
	"40 | O=C1C=C(CBr)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	20 -> "40 | O=C1C=C(CBr)[C@@H](O)C1" [label=""]
	"41 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	20 -> "41 | OCc1ccccc1" [label=""]
	"42 | BrCc1ccccc1" [color=lightyellow shape=box style=filled]
	21 -> "42 | BrCc1ccccc1" [label=""]
	"43 | O=C1C=C(CO)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	21 -> "43 | O=C1C=C(CO)[C@@H](O)C1" [label=""]
	"44 | O=C1CC[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	22 -> "44 | O=C1CC[C@@H](O)C1" [label=""]
	"45 | COCc1ccccc1" [color=lightyellow shape=box style=filled]
	22 -> "45 | COCc1ccccc1" [label=""]
	"46 | CC(=O)C[C@H](O)C(O)COCc1ccccc1" [color=lightgrey shape=box style=filled]
	23 -> "46 | CC(=O)C[C@H](O)C(O)COCc1ccccc1" [label=""]
	"47 | O=C1C=C(Cl)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	24 -> "47 | O=C1C=C(Cl)[C@@H](O)C1" [label=""]
	"48 | COCc1ccccc1" [color=lightyellow shape=box style=filled]
	24 -> "48 | COCc1ccccc1" [label=""]
	"49 | ClCOCc1ccccc1" [color=lightyellow shape=box style=filled]
	25 -> "49 | ClCOCc1ccccc1" [label=""]
	"50 | O=C1C=C[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	25 -> "50 | O=C1C=C[C@@H](O)C1" [label=""]
	"51 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	26 -> "51 | OCc1ccccc1" [label=""]
	"52 | O=C1C=C(CO)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	26 -> "52 | O=C1C=C(CO)[C@@H](O)C1" [label=""]
	"53 | O=C1CC(=O)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	27 -> "53 | O=C1CC(=O)[C@@H](O)C1" [label=""]
	"54 | COCc1ccccc1" [color=lightyellow shape=box style=filled]
	27 -> "54 | COCc1ccccc1" [label=""]
	"55 | OCc1ccccc1" [color=lightyellow shape=box style=filled]
	28 -> "55 | OCc1ccccc1" [label=""]
	"56 | CC1=CC(=O)CC1=O" [color=lightgrey shape=box style=filled]
	28 -> "56 | CC1=CC(=O)CC1=O" [label=""]
	"57 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	29 -> "57 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"58 | O[C@H]1CCC=C1COCc1ccccc1" [color=lightgrey shape=box style=filled]
	29 -> "58 | O[C@H]1CCC=C1COCc1ccccc1" [label=""]
	"59 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	30 -> "59 | Clc1ncnc2ccnn12" [label=""]
	"60 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	30 -> "60 | N[C@H]1CCc2ccccc21" [label=""]
	"61 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	31 -> "61 | O=C1CCc2ccccc21" [label=""]
	"62 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	31 -> "62 | Nc1ncnc2ccnn12" [label=""]
	"63 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	32 -> "63 | O=C1CCc2ccccc21" [label=""]
	"64 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	32 -> "64 | Nc1ncnc2ccnn12" [label=""]
	"65 | [C]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	33 -> "65 | [C]1CCc2ccccc21" [label=""]
	"66 | [NH]c1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	33 -> "66 | [NH]c1ncnc2ccnn12" [label=""]
	"67 | O=N[C@H]1CC(=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	34 -> "67 | O=N[C@H]1CC(=O)c2ccccc21" [label=""]
	"68 | Nc1ccnn1CCl" [color=lightgrey shape=box style=filled]
	34 -> "68 | Nc1ccnn1CCl" [label=""]
	"69 | NCCl" [color=lightgrey shape=box style=filled]
	34 -> "69 | NCCl" [label=""]
}
