digraph G {
	rankdir=LR
	node [shape=box]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO" -> 10 [label=0.000]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" [color=lightblue shape=box style=filled]
	1 -> "2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" [label=""]
	"3 | OCCNCCBr" [color=lightblue shape=box style=filled]
	1 -> "3 | OCCNCCBr" [label=""]
	"4 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" [color=lightgrey shape=box style=filled]
	2 -> "4 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" [label=""]
	"5 | OCCNCCCl" [color=lightyellow shape=box style=filled]
	2 -> "5 | OCCNCCCl" [label=""]
	"6 | COc1cc2c(Cl)ccnc2cc1OCCNCCO" [color=lightgrey shape=box style=filled]
	3 -> "6 | COc1cc2c(Cl)ccnc2cc1OCCNCCO" [label=""]
	"7 | Cc1cccc(-c2nc(C)c(C)cc2O)n1" [color=lightgrey shape=box style=filled]
	3 -> "7 | Cc1cccc(-c2nc(C)c(C)cc2O)n1" [label=""]
	"8 | COc1cc2c(Oc3cnc(C)c(C)c3)ccnc2cc1OCCNCCO" [color=lightgrey shape=box style=filled]
	4 -> "8 | COc1cc2c(Oc3cnc(C)c(C)c3)ccnc2cc1OCCNCCO" [label=""]
	"9 | Cc1cccc(Br)n1" [color=lightyellow shape=box style=filled]
	4 -> "9 | Cc1cccc(Br)n1" [label=""]
	"10 | Cc1cccc(Br)n1" [color=lightyellow shape=box style=filled]
	5 -> "10 | Cc1cccc(Br)n1" [label=""]
	"11 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1OCCNCCO" [color=lightgrey shape=box style=filled]
	5 -> "11 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1OCCNCCO" [label=""]
	"12 | Cc1cccc(B(O)O)n1" [color=lightyellow shape=box style=filled]
	6 -> "12 | Cc1cccc(B(O)O)n1" [label=""]
	"13 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1OCCNCCO" [color=lightgrey shape=box style=filled]
	6 -> "13 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1OCCNCCO" [label=""]
	"14 | NCCO" [color=lightyellow shape=box style=filled]
	7 -> "14 | NCCO" [label=""]
	"15 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCBr" [color=lightgrey shape=box style=filled]
	7 -> "15 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCBr" [label=""]
	"16 | O=CCNCCO" [color=lightgrey shape=box style=filled]
	8 -> "16 | O=CCNCCO" [label=""]
	"17 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" [color=lightgrey shape=box style=filled]
	8 -> "17 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" [label=""]
	"18 | COc1cc2c(O)ccnc2cc1OCCNCCO" [color=lightgrey shape=box style=filled]
	9 -> "18 | COc1cc2c(O)ccnc2cc1OCCNCCO" [label=""]
	"19 | Cc1cccc(-c2nc(C)c(C)cc2Br)n1" [color=lightgrey shape=box style=filled]
	9 -> "19 | Cc1cccc(-c2nc(C)c(C)cc2Br)n1" [label=""]
	"20 | Cc1cccc(Br)n1" [color=lightyellow shape=box style=filled]
	10 -> "20 | Cc1cccc(Br)n1" [label=""]
	"21 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1OCCNCCO" [color=lightgrey shape=box style=filled]
	10 -> "21 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1OCCNCCO" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 15 [label=0.000]
	16 [color=lightblue shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1O" -> 20 [label=0.000]
	21 [color=lightblue shape=rarrow style=filled]
	"3 | OCCNCCBr" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"3 | OCCNCCBr" -> 22 [label=0.000]
	23 [color=lightblue shape=rarrow style=filled]
	"3 | OCCNCCBr" -> 23 [label=0.000]
	24 [color=lightblue shape=rarrow style=filled]
	"3 | OCCNCCBr" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"3 | OCCNCCBr" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"3 | OCCNCCBr" -> 26 [label=0.000]
	"22 | COc1cc2c(Cl)ccnc2cc1O" [color=lightyellow shape=box style=filled]
	11 -> "22 | COc1cc2c(Cl)ccnc2cc1O" [label=""]
	"23 | Cc1cccc(-c2nc(C)c(C)cc2O)n1" [color=lightgrey shape=box style=filled]
	11 -> "23 | Cc1cccc(-c2nc(C)c(C)cc2O)n1" [label=""]
	"24 | COc1cc2c(Oc3cnc(C)c(C)c3)ccnc2cc1O" [color=lightgrey shape=box style=filled]
	12 -> "24 | COc1cc2c(Oc3cnc(C)c(C)c3)ccnc2cc1O" [label=""]
	"25 | Cc1cccc(Br)n1" [color=lightyellow shape=box style=filled]
	12 -> "25 | Cc1cccc(Br)n1" [label=""]
	"26 | COc1cc2c(Br)ccnc2cc1O" [color=lightgrey shape=box style=filled]
	13 -> "26 | COc1cc2c(Br)ccnc2cc1O" [label=""]
	"27 | Cc1cccc(-c2nc(C)c(C)cc2O)n1" [color=lightgrey shape=box style=filled]
	13 -> "27 | Cc1cccc(-c2nc(C)c(C)cc2O)n1" [label=""]
	"28 | Cc1cccc(Br)n1" [color=lightyellow shape=box style=filled]
	14 -> "28 | Cc1cccc(Br)n1" [label=""]
	"29 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1O" [color=lightgrey shape=box style=filled]
	14 -> "29 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1O" [label=""]
	"30 | COc1cc2c(Cl)ccnc2cc1O" [color=lightyellow shape=box style=filled]
	15 -> "30 | COc1cc2c(Cl)ccnc2cc1O" [label=""]
	"31 | Cc1ccccn1" [color=lightyellow shape=box style=filled]
	15 -> "31 | Cc1ccccn1" [label=""]
	"32 | Cc1cc(O)c(Br)nc1C" [color=lightgrey shape=box style=filled]
	15 -> "32 | Cc1cc(O)c(Br)nc1C" [label=""]
	"33 | COc1cc2c(Cl)ccnc2cc1O" [color=lightyellow shape=box style=filled]
	16 -> "33 | COc1cc2c(Cl)ccnc2cc1O" [label=""]
	"34 | Cc1cc(O)cnc1C" [color=lightyellow shape=box style=filled]
	16 -> "34 | Cc1cc(O)cnc1C" [label=""]
	"35 | Cc1cccc(Br)n1" [color=lightyellow shape=box style=filled]
	16 -> "35 | Cc1cccc(Br)n1" [label=""]
	"36 | Cc1cccc(B(O)O)n1" [color=lightyellow shape=box style=filled]
	17 -> "36 | Cc1cccc(B(O)O)n1" [label=""]
	"37 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1O" [color=lightgrey shape=box style=filled]
	17 -> "37 | COc1cc2c(Oc3cc(C)c(C)nc3Br)ccnc2cc1O" [label=""]
	"38 | COc1cc2c(O)ccnc2cc1O" [color=lightgrey shape=box style=filled]
	18 -> "38 | COc1cc2c(O)ccnc2cc1O" [label=""]
	"39 | Cc1cccc(-c2nc(C)c(C)cc2Br)n1" [color=lightgrey shape=box style=filled]
	18 -> "39 | Cc1cccc(-c2nc(C)c(C)cc2Br)n1" [label=""]
	"40 | COc1cc2cccnc2cc1O" [color=lightyellow shape=box style=filled]
	19 -> "40 | COc1cc2cccnc2cc1O" [label=""]
	"41 | Cc1ccccn1" [color=lightyellow shape=box style=filled]
	19 -> "41 | Cc1ccccn1" [label=""]
	"42 | Cc1cc(O)c(Cl)nc1C" [color=lightgrey shape=box style=filled]
	19 -> "42 | Cc1cc(O)c(Cl)nc1C" [label=""]
	"43 | COc1cc2cccnc2cc1O" [color=lightyellow shape=box style=filled]
	20 -> "43 | COc1cc2cccnc2cc1O" [label=""]
	"44 | Cc1ccccn1" [color=lightyellow shape=box style=filled]
	20 -> "44 | Cc1ccccn1" [label=""]
	"45 | Cc1cc(O)c(Br)nc1C" [color=lightgrey shape=box style=filled]
	20 -> "45 | Cc1cc(O)c(Br)nc1C" [label=""]
	"46 | ClCCBr" [color=lightyellow shape=box style=filled]
	21 -> "46 | ClCCBr" [label=""]
	"47 | NCCO" [color=lightyellow shape=box style=filled]
	21 -> "47 | NCCO" [label=""]
	"48 | O=CCO" [color=lightgrey shape=box style=filled]
	22 -> "48 | O=CCO" [label=""]
	"49 | NCCBr" [color=lightyellow shape=box style=filled]
	22 -> "49 | NCCBr" [label=""]
	"50 | OCCBr" [color=lightyellow shape=box style=filled]
	23 -> "50 | OCCBr" [label=""]
	"51 | NCCBr" [color=lightyellow shape=box style=filled]
	23 -> "51 | NCCBr" [label=""]
	"52 | OCCO" [color=lightyellow shape=box style=filled]
	24 -> "52 | OCCO" [label=""]
	"53 | NCCBr" [color=lightyellow shape=box style=filled]
	24 -> "53 | NCCBr" [label=""]
	"54 | NCCBr" [color=lightyellow shape=box style=filled]
	25 -> "54 | NCCBr" [label=""]
	"55 | OCCCl" [color=lightgrey shape=box style=filled]
	25 -> "55 | OCCCl" [label=""]
	"56 | NCCO" [color=lightyellow shape=box style=filled]
	26 -> "56 | NCCO" [label=""]
	"57 | BrCCBr" [color=lightgrey shape=box style=filled]
	26 -> "57 | BrCCBr" [label=""]
}
