digraph G {
	rankdir=LR
	node [shape=box]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 10 [label=0.000]
	"2 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightblue shape=box style=filled]
	1 -> "2 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" [color=lightblue shape=box style=filled]
	1 -> "3 | O=C1C[C@H](CO)[C@@H](O)C1" [label=""]
	"4 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	2 -> "4 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"5 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	2 -> "5 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	3 -> "6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"7 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	3 -> "7 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"8 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	4 -> "8 | Clc1ncnc2ccnn12" [label=""]
	"9 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	4 -> "9 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"10 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	4 -> "10 | N[C@H]1CCc2ccccc21" [label=""]
	"11 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	5 -> "11 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"12 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [color=lightgrey shape=box style=filled]
	5 -> "12 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [label=""]
	"13 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	6 -> "13 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"14 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	6 -> "14 | N[C@H]1CCc2ccccc21" [label=""]
	"15 | [c]1cnn2[c]ncnc12" [color=lightgrey shape=box style=filled]
	7 -> "15 | [c]1cnn2[c]ncnc12" [label=""]
	"16 | OC[C@H]1C[CH]C[C@@H]1O" [color=lightgrey shape=box style=filled]
	7 -> "16 | OC[C@H]1C[CH]C[C@@H]1O" [label=""]
	"17 | [NH][C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	7 -> "17 | [NH][C@H]1CCc2ccccc21" [label=""]
	"18 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	8 -> "18 | O=C1CCc2ccccc21" [label=""]
	"19 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [color=lightgrey shape=box style=filled]
	8 -> "19 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [label=""]
	"20 | C=O" [color=lightyellow shape=box style=filled]
	9 -> "20 | C=O" [label=""]
	"21 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [color=lightgrey shape=box style=filled]
	9 -> "21 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [label=""]
	"22 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	10 -> "22 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	11 [color=lightblue shape=rarrow style=filled]
	"2 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 11 [label=0.000]
	12 [color=lightblue shape=rarrow style=filled]
	"2 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 12 [label=0.000]
	13 [color=lightblue shape=rarrow style=filled]
	"2 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 15 [label=0.000]
	16 [color=lightblue shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 20 [label=0.000]
	21 [color=lightblue shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 22 [label=0.000]
	23 [color=lightblue shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 23 [label=0.000]
	24 [color=lightblue shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 24 [label=0.000]
	25 [color=lightblue shape=rarrow style=filled]
	"3 | O=C1C[C@H](CO)[C@@H](O)C1" -> 25 [label=0.000]
	"23 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	11 -> "23 | Clc1ncnc2ccnn12" [label=""]
	"24 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	11 -> "24 | N[C@H]1CCc2ccccc21" [label=""]
	"25 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	12 -> "25 | O=C1CCc2ccccc21" [label=""]
	"26 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	12 -> "26 | Nc1ncnc2ccnn12" [label=""]
	"27 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	13 -> "27 | O=C1CCc2ccccc21" [label=""]
	"28 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	13 -> "28 | Nc1ncnc2ccnn12" [label=""]
	"29 | [C]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	14 -> "29 | [C]1CCc2ccccc21" [label=""]
	"30 | [NH]c1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	14 -> "30 | [NH]c1ncnc2ccnn12" [label=""]
	"31 | O=N[C@H]1CC(=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	15 -> "31 | O=N[C@H]1CC(=O)c2ccccc21" [label=""]
	"32 | Nc1ccnn1CCl" [color=lightgrey shape=box style=filled]
	15 -> "32 | Nc1ccnn1CCl" [label=""]
	"33 | NCCl" [color=lightgrey shape=box style=filled]
	15 -> "33 | NCCl" [label=""]
	"34 | O=C1CC[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	16 -> "34 | O=C1CC[C@@H](O)C1" [label=""]
	"35 | C=O" [color=lightyellow shape=box style=filled]
	16 -> "35 | C=O" [label=""]
	"36 | O=CCC(=O)CCCO" [color=lightgrey shape=box style=filled]
	17 -> "36 | O=CCC(=O)CCCO" [label=""]
	"37 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	18 -> "37 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"38 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	18 -> "38 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"39 | O=CCCC(=O)CCO" [color=lightgrey shape=box style=filled]
	19 -> "39 | O=CCCC(=O)CCO" [label=""]
	"40 | O=C(O)CCC(=O)CCO" [color=lightgrey shape=box style=filled]
	20 -> "40 | O=C(O)CCC(=O)CCO" [label=""]
	"41 | O=CO" [color=lightyellow shape=box style=filled]
	21 -> "41 | O=CO" [label=""]
	"42 | CC(=O)CCCO" [color=lightyellow shape=box style=filled]
	21 -> "42 | CC(=O)CCCO" [label=""]
	"43 | O=C(C=CO)CCCO" [color=lightgrey shape=box style=filled]
	22 -> "43 | O=C(C=CO)CCCO" [label=""]
	"44 | CC(=O)CCCO" [color=lightyellow shape=box style=filled]
	23 -> "44 | CC(=O)CCCO" [label=""]
	"45 | C=O" [color=lightyellow shape=box style=filled]
	23 -> "45 | C=O" [label=""]
	"46 | O=CO" [color=lightyellow shape=box style=filled]
	24 -> "46 | O=CO" [label=""]
	"47 | O=C1CC[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	24 -> "47 | O=C1CC[C@@H](O)C1" [label=""]
	"48 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	25 -> "48 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"49 | O=C1CC[C@@H](CO)C1" [color=lightyellow shape=box style=filled]
	25 -> "49 | O=C1CC[C@@H](CO)C1" [label=""]
}
