digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)COC(C)=O" -> 10 [label=0.000]
	"2 | CC(C)=O" [color=lightyellow shape=box style=filled]
	1 -> "2 | CC(C)=O" [label=""]
	"3 | COC(C)=O" [color=lightyellow shape=box style=filled]
	1 -> "3 | COC(C)=O" [label=""]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [color=lightblue shape=box style=filled]
	1 -> "4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"5 | CC(=O)O" [color=lightyellow shape=box style=filled]
	2 -> "5 | CC(=O)O" [label=""]
	"6 | CC(=O)OCC(C)(C)n1c(CCl)nc2cnc(Br)cc21" [color=lightgrey shape=box style=filled]
	2 -> "6 | CC(=O)OCC(C)(C)n1c(CCl)nc2cnc(Br)cc21" [label=""]
	"7 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	3 -> "7 | CC(=O)Cl" [label=""]
	"8 | CC(=O)OCC(C)(C)n1c(CO)nc2cnc(Br)cc21" [color=lightgrey shape=box style=filled]
	3 -> "8 | CC(=O)OCC(C)(C)n1c(CO)nc2cnc(Br)cc21" [label=""]
	"9 | CC(=O)O" [color=lightyellow shape=box style=filled]
	4 -> "9 | CC(=O)O" [label=""]
	"10 | CC(=O)OCC(C)(C)n1c(CBr)nc2cnc(Br)cc21" [color=lightgrey shape=box style=filled]
	4 -> "10 | CC(=O)OCC(C)(C)n1c(CBr)nc2cnc(Br)cc21" [label=""]
	"11 | CC(=O)O" [color=lightyellow shape=box style=filled]
	5 -> "11 | CC(=O)O" [label=""]
	"12 | CC(=O)OCC(C)(C)n1c(CO)nc2cnc(Br)cc21" [color=lightgrey shape=box style=filled]
	5 -> "12 | CC(=O)OCC(C)(C)n1c(CO)nc2cnc(Br)cc21" [label=""]
	"13 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	6 -> "13 | CC(=O)Cl" [label=""]
	"14 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)CO" [color=lightgrey shape=box style=filled]
	6 -> "14 | CC(=O)OCc1nc2cnc(Br)cc2n1C(C)(C)CO" [label=""]
	"15 | COC(C)=O" [color=lightyellow shape=box style=filled]
	7 -> "15 | COC(C)=O" [label=""]
	"16 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	7 -> "16 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"17 | CC(C)Br" [color=lightyellow shape=box style=filled]
	7 -> "17 | CC(C)Br" [label=""]
	"18 | COC(C)=O" [color=lightyellow shape=box style=filled]
	8 -> "18 | COC(C)=O" [label=""]
	"19 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	8 -> "19 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"20 | CC(C)O" [color=lightyellow shape=box style=filled]
	8 -> "20 | CC(C)O" [label=""]
	"21 | CC(=O)OCC(C)(C)n1cnc2cnc(Br)cc21" [color=lightgrey shape=box style=filled]
	9 -> "21 | CC(=O)OCC(C)(C)n1cnc2cnc(Br)cc21" [label=""]
	"22 | CC(=O)OCCl" [color=lightyellow shape=box style=filled]
	9 -> "22 | CC(=O)OCCl" [label=""]
	"23 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	10 -> "23 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"24 | CCCOC(C)=O" [color=lightyellow shape=box style=filled]
	10 -> "24 | CCCOC(C)=O" [label=""]
	"25 | C=O" [color=lightyellow shape=box style=filled]
	10 -> "25 | C=O" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 16 [label=0.000]
	17 [color=lightblue shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(=O)OCc1nc2cnc(Br)cc2[nH]1" -> 20 [label=0.000]
	"26 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	11 -> "26 | CC(=O)Cl" [label=""]
	"27 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	11 -> "27 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"28 | BrCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	12 -> "28 | BrCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"29 | CC(=O)O" [color=lightyellow shape=box style=filled]
	12 -> "29 | CC(=O)O" [label=""]
	"30 | ClCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	13 -> "30 | ClCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"31 | CC(=O)O" [color=lightyellow shape=box style=filled]
	13 -> "31 | CC(=O)O" [label=""]
	"32 | CC(=O)O" [color=lightyellow shape=box style=filled]
	14 -> "32 | CC(=O)O" [label=""]
	"33 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	14 -> "33 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"34 | CC(=O)O" [color=lightyellow shape=box style=filled]
	15 -> "34 | CC(=O)O" [label=""]
	"35 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	15 -> "35 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"36 | CC(=O)O" [color=lightyellow shape=box style=filled]
	16 -> "36 | CC(=O)O" [label=""]
	"37 | O=Cc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	16 -> "37 | O=Cc1nc2cnc(Br)cc2[nH]1" [label=""]
	"38 | CC(=O)OCC(=O)O" [color=lightyellow shape=box style=filled]
	17 -> "38 | CC(=O)OCC(=O)O" [label=""]
	"39 | Nc1cnc(Br)cc1N" [color=lightyellow shape=box style=filled]
	17 -> "39 | Nc1cnc(Br)cc1N" [label=""]
	"40 | CC(O)O" [color=lightyellow shape=box style=filled]
	18 -> "40 | CC(O)O" [label=""]
	"41 | Cc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	18 -> "41 | Cc1nc2cnc(Br)cc2[nH]1" [label=""]
	"42 | CC(=O)O" [color=lightyellow shape=box style=filled]
	19 -> "42 | CC(=O)O" [label=""]
	"43 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	19 -> "43 | O=C1CCC(=O)N1Br" [label=""]
	"44 | Cc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	19 -> "44 | Cc1nc2cnc(Br)cc2[nH]1" [label=""]
	"45 | O=COCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	20 -> "45 | O=COCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"46 | CI" [color=lightyellow shape=box style=filled]
	20 -> "46 | CI" [label=""]
}
