digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(C)(CO)n1c(CO)nc2cnc(Br)cc21" -> 10 [label=0.000]
	"2 | CC(C)(Br)CO" [color=lightyellow shape=box style=filled]
	1 -> "2 | CC(C)(Br)CO" [label=""]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightblue shape=box style=filled]
	1 -> "3 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"4 | CC(C)(O)CO" [color=lightyellow shape=box style=filled]
	2 -> "4 | CC(C)(O)CO" [label=""]
	"5 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	2 -> "5 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"6 | CC(C)=O" [color=lightyellow shape=box style=filled]
	3 -> "6 | CC(C)=O" [label=""]
	"7 | CO" [color=lightyellow shape=box style=filled]
	3 -> "7 | CO" [label=""]
	"8 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	3 -> "8 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"9 | CCCO" [color=lightyellow shape=box style=filled]
	4 -> "9 | CCCO" [label=""]
	"10 | CI" [color=lightyellow shape=box style=filled]
	4 -> "10 | CI" [label=""]
	"11 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	4 -> "11 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"12 | CCC" [color=lightyellow shape=box style=filled]
	5 -> "12 | CCC" [label=""]
	"13 | O=CO" [color=lightyellow shape=box style=filled]
	5 -> "13 | O=CO" [label=""]
	"14 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	5 -> "14 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"15 | CCC" [color=lightyellow shape=box style=filled]
	6 -> "15 | CCC" [label=""]
	"16 | C=O" [color=lightyellow shape=box style=filled]
	6 -> "16 | C=O" [label=""]
	"17 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	6 -> "17 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"18 | CC(C)CO" [color=lightyellow shape=box style=filled]
	7 -> "18 | CC(C)CO" [label=""]
	"19 | CC(C)(C)OC(=O)OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	7 -> "19 | CC(C)(C)OC(=O)OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"20 | CC(=O)CO" [color=lightyellow shape=box style=filled]
	8 -> "20 | CC(=O)CO" [label=""]
	"21 | CI" [color=lightyellow shape=box style=filled]
	8 -> "21 | CI" [label=""]
	"22 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	8 -> "22 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"23 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	9 -> "23 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"24 | CCCO" [color=lightyellow shape=box style=filled]
	9 -> "24 | CCCO" [label=""]
	"25 | C[Mg+]" [color=lightyellow shape=box style=filled]
	9 -> "25 | C[Mg+]" [label=""]
	"26 | CCC" [color=lightyellow shape=box style=filled]
	10 -> "26 | CCC" [label=""]
	"27 | OCBr" [color=lightgrey shape=box style=filled]
	10 -> "27 | OCBr" [label=""]
	"28 | OCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	10 -> "28 | OCc1nc2cnc(Br)cc2[nH]1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 11 [label=0.000]
	12 [color=lightblue shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 12 [label=0.000]
	13 [color=lightblue shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 13 [label=0.000]
	14 [color=lightblue shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 19 [label=0.000]
	20 [color=lightblue shape=rarrow style=filled]
	"3 | OCc1nc2cnc(Br)cc2[nH]1" -> 20 [label=0.000]
	"29 | O=C(O)c1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	11 -> "29 | O=C(O)c1nc2cnc(Br)cc2[nH]1" [label=""]
	"30 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	12 -> "30 | O=C1CCC(=O)N1Br" [label=""]
	"31 | OCc1nc2cnccc2[nH]1" [color=lightyellow shape=box style=filled]
	12 -> "31 | OCc1nc2cnccc2[nH]1" [label=""]
	"32 | Nc1cnc(Br)cc1N" [color=lightyellow shape=box style=filled]
	13 -> "32 | Nc1cnc(Br)cc1N" [label=""]
	"33 | O=C(O)CO" [color=lightyellow shape=box style=filled]
	13 -> "33 | O=C(O)CO" [label=""]
	"34 | O=CO" [color=lightyellow shape=box style=filled]
	14 -> "34 | O=CO" [label=""]
	"35 | Brc1cc2[nH]cnc2cn1" [color=lightyellow shape=box style=filled]
	14 -> "35 | Brc1cc2[nH]cnc2cn1" [label=""]
	"36 | Cc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	15 -> "36 | Cc1nc2cnc(Br)cc2[nH]1" [label=""]
	"37 | O=C1CCC(=O)N1O" [color=lightyellow shape=box style=filled]
	15 -> "37 | O=C1CCC(=O)N1O" [label=""]
	"38 | O" [color=lightyellow shape=box style=filled]
	16 -> "38 | O" [label=""]
	"39 | O=Cc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	16 -> "39 | O=Cc1nc2cnc(Br)cc2[nH]1" [label=""]
	"40 | OO" [color=lightyellow shape=box style=filled]
	17 -> "40 | OO" [label=""]
	"41 | Cc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	17 -> "41 | Cc1nc2cnc(Br)cc2[nH]1" [label=""]
	"42 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	18 -> "42 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"43 | Cc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	18 -> "43 | Cc1nc2cnc(Br)cc2[nH]1" [label=""]
	"44 | BrCc1nc2cnc(Br)cc2[nH]1" [color=lightgrey shape=box style=filled]
	19 -> "44 | BrCc1nc2cnc(Br)cc2[nH]1" [label=""]
	"45 | O" [color=lightyellow shape=box style=filled]
	19 -> "45 | O" [label=""]
	"46 | OCCO" [color=lightyellow shape=box style=filled]
	20 -> "46 | OCCO" [label=""]
	"47 | Nc1cnc(Br)cc1N" [color=lightyellow shape=box style=filled]
	20 -> "47 | Nc1cnc(Br)cc1N" [label=""]
}
