digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1" -> 10 [label=0.000]
	"2 | CN" [color=lightyellow shape=box style=filled]
	1 -> "2 | CN" [label=""]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" [color=lightblue shape=box style=filled]
	1 -> "3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"4 | COc1ccc(N)cc1" [color=lightyellow shape=box style=filled]
	2 -> "4 | COc1ccc(N)cc1" [label=""]
	"5 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Cl)c2c1" [color=lightgrey shape=box style=filled]
	2 -> "5 | CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Cl)c2c1" [label=""]
	"6 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	3 -> "6 | c1c[nH]cn1" [label=""]
	"7 | CNC(=O)c1ccc2ncc(C(=O)OCCl)c(Nc3ccc(OC)cc3)c2c1" [color=lightgrey shape=box style=filled]
	3 -> "7 | CNC(=O)c1ccc2ncc(C(=O)OCCl)c(Nc3ccc(OC)cc3)c2c1" [label=""]
	"8 | ClCn1ccnc1" [color=lightgrey shape=box style=filled]
	4 -> "8 | ClCn1ccnc1" [label=""]
	"9 | CNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(OC)cc3)c2c1" [color=lightgrey shape=box style=filled]
	4 -> "9 | CNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(OC)cc3)c2c1" [label=""]
	"10 | OCn1ccnc1" [color=lightyellow shape=box style=filled]
	5 -> "10 | OCn1ccnc1" [label=""]
	"11 | CNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(OC)cc3)c2c1" [color=lightgrey shape=box style=filled]
	5 -> "11 | CNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(OC)cc3)c2c1" [label=""]
	"12 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" [color=lightgrey shape=box style=filled]
	6 -> "12 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"13 | NC=O" [color=lightyellow shape=box style=filled]
	6 -> "13 | NC=O" [label=""]
	"14 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	7 -> "14 | c1c[nH]cn1" [label=""]
	"15 | CNC(=O)c1ccc2ncc(C(=O)OCBr)c(Nc3ccc(OC)cc3)c2c1" [color=lightgrey shape=box style=filled]
	7 -> "15 | CNC(=O)c1ccc2ncc(C(=O)OCBr)c(Nc3ccc(OC)cc3)c2c1" [label=""]
	"16 | COC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccc(OC)cc1" [color=lightgrey shape=box style=filled]
	8 -> "16 | COC(=O)c1cnc2ccc(C(=O)O)cc2c1Nc1ccc(OC)cc1" [label=""]
	"17 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	8 -> "17 | c1c[nH]cn1" [label=""]
	"18 | CN" [color=lightyellow shape=box style=filled]
	8 -> "18 | CN" [label=""]
	"19 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	9 -> "19 | c1c[nH]cn1" [label=""]
	"20 | CNC(=O)c1ccc2ncc(C(=O)OC=O)c(Nc3ccc(OC)cc3)c2c1" [color=lightgrey shape=box style=filled]
	9 -> "20 | CNC(=O)c1ccc2ncc(C(=O)OC=O)c(Nc3ccc(OC)cc3)c2c1" [label=""]
	"21 | COc1ccc(N)cc1" [color=lightyellow shape=box style=filled]
	10 -> "21 | COc1ccc(N)cc1" [label=""]
	"22 | CNC(=O)c1ccc2ncc(C(=O)O)cc2c1" [color=lightgrey shape=box style=filled]
	10 -> "22 | CNC(=O)c1ccc2ncc(C(=O)O)cc2c1" [label=""]
	"23 | OCn1ccnc1" [color=lightyellow shape=box style=filled]
	10 -> "23 | OCn1ccnc1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 13 [label=0.000]
	14 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 15 [label=0.000]
	16 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 16 [label=0.000]
	17 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 18 [label=0.000]
	19 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 19 [label=0.000]
	20 [color=lightblue shape=rarrow style=filled]
	"3 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccc(C(=O)O)cc23)cc1" -> 20 [label=0.000]
	"24 | O=C(O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Cl)c2c1" [color=lightgrey shape=box style=filled]
	11 -> "24 | O=C(O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Cl)c2c1" [label=""]
	"25 | COc1ccc(N)cc1" [color=lightyellow shape=box style=filled]
	11 -> "25 | COc1ccc(N)cc1" [label=""]
	"26 | ClCn1ccnc1" [color=lightgrey shape=box style=filled]
	12 -> "26 | ClCn1ccnc1" [label=""]
	"27 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [color=lightyellow shape=box style=filled]
	12 -> "27 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"28 | COc1ccc(Nc2c(C(=O)OCCl)cnc3ccc(C(=O)O)cc23)cc1" [color=lightgrey shape=box style=filled]
	13 -> "28 | COc1ccc(Nc2c(C(=O)OCCl)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"29 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	13 -> "29 | c1c[nH]cn1" [label=""]
	"30 | OCn1ccnc1" [color=lightyellow shape=box style=filled]
	14 -> "30 | OCn1ccnc1" [label=""]
	"31 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [color=lightyellow shape=box style=filled]
	14 -> "31 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"32 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccccc23)cc1" [color=lightgrey shape=box style=filled]
	15 -> "32 | COc1ccc(Nc2c(C(=O)OCn3ccnc3)cnc3ccccc23)cc1" [label=""]
	"33 | O=C=O" [color=lightyellow shape=box style=filled]
	15 -> "33 | O=C=O" [label=""]
	"34 | CBr" [color=lightyellow shape=box style=filled]
	16 -> "34 | CBr" [label=""]
	"35 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	16 -> "35 | c1c[nH]cn1" [label=""]
	"36 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [color=lightyellow shape=box style=filled]
	16 -> "36 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"37 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	17 -> "37 | c1c[nH]cn1" [label=""]
	"38 | CCl" [color=lightyellow shape=box style=filled]
	17 -> "38 | CCl" [label=""]
	"39 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [color=lightyellow shape=box style=filled]
	17 -> "39 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"40 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	18 -> "40 | c1c[nH]cn1" [label=""]
	"41 | COc1ccc(Nc2c(C(=O)OCBr)cnc3ccc(C(=O)O)cc23)cc1" [color=lightgrey shape=box style=filled]
	18 -> "41 | COc1ccc(Nc2c(C(=O)OCBr)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"42 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	19 -> "42 | c1c[nH]cn1" [label=""]
	"43 | CO" [color=lightyellow shape=box style=filled]
	19 -> "43 | CO" [label=""]
	"44 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [color=lightyellow shape=box style=filled]
	19 -> "44 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
	"45 | c1c[nH]cn1" [color=lightyellow shape=box style=filled]
	20 -> "45 | c1c[nH]cn1" [label=""]
	"46 | C=O" [color=lightyellow shape=box style=filled]
	20 -> "46 | C=O" [label=""]
	"47 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [color=lightyellow shape=box style=filled]
	20 -> "47 | COc1ccc(Nc2c(C(=O)O)cnc3ccc(C(=O)O)cc23)cc1" [label=""]
}
