0  B19R3.28  c1ccc2c(c1)CCC[C@H]2Nc3ccncn3 WXVL_AK0134LP3358 [0,0,0,0,0,1|2,0,1]=4
1  B19R3.28  c1ccc2c(c1)CCC[C@H]2Nc3ccncn3 WXVL_AK0134LP3358 [0,0,0,0,0,1|2,0,1]=4
2  B19R3.28  c1cnc(nc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134LP0002 [0,0,0,0,0,1|3,0,0]=4
3  B19R3.28  c1cnc(nc1)N[C@@H]2CCCc3c2cccc3 WXVL_AK0134LP0002 [0,0,0,0,0,1|3,0,0]=4
4  B18R2.7188  O=C(NCCCc1ccccc1)c2c[nH]cn2 WXVL_AK0074SC0074 [0,1,1,0,0,0|0,0,1]=3
5  B18R2.7188  O=C(NCCCc1ccccc1)c2c[nH]cn2 WXVL_AK0074SC0074 [0,1,1,0,0,0|0,0,1]=3
6  B18R2.7188  O=C(NCCCc1ccccc1)c2cc[nH]c2 WXVL_AK0074SC0013 [0,1,1,0,0,0|1,0,1]=4
7  B18R2.7188  O=C(NCCCc1ccccc1)c2cc[nH]c2 WXVL_AK0074SC0013 [0,1,1,0,0,0|1,0,1]=4
8  B18R2.7188  O=C(NCCCc1ccccc1)c2cocn2 WXVL_AK0074SC0118 [0,1,1,0,0,0|1,0,1]=4
9  B18R2.7188  O=C(NCCCc1ccccc1)c2cocn2 WXVL_AK0074SC0118 [0,1,1,0,0,0|1,0,1]=4
10  B18R2.7188  O=C(NCCCc1ccccc1)c2cscn2 WXVL_AK0074SC0092 [0,1,1,0,0,0|1,0,1]=4
11  B18R2.7188  O=C(NCCCc1ccccc1)c2cscn2 WXVL_AK0074SC0092 [0,1,1,0,0,0|1,0,1]=4
12  B18R2.7188  O=C(NCCCc1ccccc1)c2nc[nH]n2 WXVL_AK0074SC0376 [0,1,1,0,0,0|1,0,1]=4
13  B18R2.7188  O=C(NCCCc1ccccc1)c2nc[nH]n2 WXVL_AK0074SC0376 [0,1,1,0,0,0|1,0,1]=4
14  B18R2.7188  O=C(NCCCc1cccnc1)c2c[nH]cn2 WXVL_AK2339SC0074 [0,1,1,0,0,0|1,0,1]=4
15  B18R2.7188  O=C(NCCCc1cccnc1)c2c[nH]cn2 WXVL_AK2339SC0074 [0,1,1,0,0,0|1,0,1]=4
16  B18R2.7188  O=C(NCCCc1ccncc1)c2c[nH]cn2 WXVL_AK1251SC0074 [0,1,1,0,0,0|1,0,1]=4
17  B18R2.7188  O=C(NCCCc1ccncc1)c2c[nH]cn2 WXVL_AK1251SC0074 [0,1,1,0,0,0|1,0,1]=4
18  B18R2.7188  O=C(NCCNc1ccccc1)c2c[nH]cn2 WXVL_AK2478SC0074 [0,1,1,0,0,0|1,0,1]=4
19  B18R2.7188  O=C(NCCNc1ccccc1)c2c[nH]cn2 WXVL_AK2478SC0074 [0,1,1,0,0,0|1,0,1]=4
20  B18R2.7188  O=C(NCCOc1ccccc1)c2c[nH]cn2 WXVL_AK0103SC0074 [0,1,1,0,0,0|1,0,1]=4
21  B18R2.7188  O=C(NCCOc1ccccc1)c2c[nH]cn2 WXVL_AK0103SC0074 [0,1,1,0,0,0|1,0,1]=4
22  B18R2.11744  O=C(CCc1ccccc1)NCc2cocn2 WXVL_AK00016SB0067 [0,1,1,0,0,0|1,0,1]=4
23  B18R2.11744  O=C(CCc1ccccc1)NCc2cocn2 WXVL_AK00016SB0067 [0,1,1,0,0,0|1,0,1]=4
24  B18R2.11744  O=C(CCc1ccccc1)NCc2cscn2 WXVL_AK0325SB0067 [0,1,1,0,0,0|1,0,1]=4
25  B18R2.11744  O=C(CCc1ccccc1)NCc2cscn2 WXVL_AK0325SB0067 [0,1,1,0,0,0|1,0,1]=4
26  B18R2.7549  CCCc1ccccc1NC(=O)c2c[nH]cn2 WXVL_AG1917SC0074 [0,1,1,0,0,0|0,0,1]=3
27  B18R2.7549  CCCc1ccccc1NC(=O)c2c[nH]cn2 WXVL_AG1917SC0074 [0,1,1,0,0,0|0,0,1]=3
28  B18R2.7549  CCCc1ccccc1NC(=O)c2cc[nH]c2 WXVL_AG1917SC0013 [0,1,1,0,0,0|1,0,1]=4
29  B18R2.7549  CCCc1ccccc1NC(=O)c2cc[nH]c2 WXVL_AG1917SC0013 [0,1,1,0,0,0|1,0,1]=4
30  B18R2.7549  CCCc1ccccc1NC(=O)c2cocn2 WXVL_AG1917SC0118 [0,1,1,0,0,0|1,0,1]=4
31  B18R2.7549  CCCc1ccccc1NC(=O)c2cocn2 WXVL_AG1917SC0118 [0,1,1,0,0,0|1,0,1]=4
32  B18R2.7549  CCCc1ccccc1NC(=O)c2cscn2 WXVL_AG1917SC0092 [0,1,1,0,0,0|1,0,1]=4
33  B18R2.7549  CCCc1ccccc1NC(=O)c2cscn2 WXVL_AG1917SC0092 [0,1,1,0,0,0|1,0,1]=4
34  B18R2.7549  CCCc1ccccc1NC(=O)c2nc[nH]n2 WXVL_AG1917SC0376 [0,1,1,0,0,0|1,0,1]=4
35  B18R2.7549  CCCc1ccccc1NC(=O)c2nc[nH]n2 WXVL_AG1917SC0376 [0,1,1,0,0,0|1,0,1]=4
36  B18R2.7549  CCOc1ccccc1NC(=O)c2c[nH]cn2 WXVL_AG00184SC0074 [0,1,1,0,0,0|1,0,1]=4
37  B18R2.7549  CCOc1ccccc1NC(=O)c2c[nH]cn2 WXVL_AG00184SC0074 [0,1,1,0,0,0|1,0,1]=4
38  B18R2.7549  O=C(Nc1ccccc1CCO)c2c[nH]cn2 WXVL_AG1764SC0074 [0,1,1,0,0,0|1,0,1]=4
39  B18R2.7549  O=C(Nc1ccccc1CCO)c2c[nH]cn2 WXVL_AG1764SC0074 [0,1,1,0,0,0|1,0,1]=4
40  B20R3.2104388  O=C(c1c[nH]cn1)N2CCCc3ccccc3C2 WXVL_AN2963SC0074 [0,1,0,0,0,1|0,0,1]=3
41  B20R3.2104388  O=C(c1c[nH]cn1)N2CCCc3ccccc3C2 WXVL_AN2963SC0074 [0,1,0,0,0,1|0,0,1]=3
42  B20R3.2104388  O=C(c1c[nH]cn1)N2CCOc3ccccc3C2 WXVL_AN2390SC0074 [0,1,0,0,0,1|1,0,1]=4
43  B20R3.2104388  O=C(c1cc[nH]c1)N2CCCc3ccccc3C2 WXVL_AN2963SC0013 [0,1,0,0,0,1|1,0,1]=4
44  B20R3.2104388  O=C(c1cc[nH]c1)N2CCCc3ccccc3C2 WXVL_AN2963SC0013 [0,1,0,0,0,1|1,0,1]=4
45  B20R3.2104388  O=C(c1cocn1)N2CCCc3ccccc3C2 WXVL_AN2963SC0118 [0,1,0,0,0,1|1,0,1]=4
46  B20R3.2104388  O=C(c1cocn1)N2CCCc3ccccc3C2 WXVL_AN2963SC0118 [0,1,0,0,0,1|1,0,1]=4
47  B20R3.2104388  O=C(c1cscn1)N2CCCc3ccccc3C2 WXVL_AN2963SC0092 [0,1,0,0,0,1|1,0,1]=4
48  B20R3.2104388  O=C(c1cscn1)N2CCCc3ccccc3C2 WXVL_AN2963SC0092 [0,1,0,0,0,1|1,0,1]=4
49  B20R3.2104388  O=C(c1nc[nH]n1)N2CCCc3ccccc3C2 WXVL_AN2963SC0376 [0,1,0,0,0,1|1,0,1]=4
50  B20R3.2104388  O=C(c1nc[nH]n1)N2CCCc3ccccc3C2 WXVL_AN2963SC0376 [0,1,0,0,0,1|1,0,1]=4
51  B20R3.331575  O=C(N[C@@H]1CCCc2c1cccc2)c3c[nH]cn3 WXVL_AK0134SC0074 [0,1,0,0,0,1|1,0,1]=4
52  B20R3.331575  O=C(N[C@@H]1CCCc2c1cccc2)c3c[nH]cn3 WXVL_AK0134SC0074 [0,1,0,0,0,1|1,0,1]=4
53  B20R3.2720  c1ccc2c(c1)CCCC2CNc3ccncn3 WXVL_AK5906LP3358 [0,0,0,0,0,2|1,0,1]=4
54  B20R3.2720  c1ccc2c(c1)CCCC2CNc3ccncn3 WXVL_AK5906LP3358 [0,0,0,0,0,2|1,0,1]=4
55  B20R3.2720  c1cnc(nc1)NCC2CCCc3c2cccc3 WXVL_AK5906LP0002 [0,0,0,0,0,2|2,0,0]=4
56  B20R3.2720  c1cnc(nc1)NCC2CCCc3c2cccc3 WXVL_AK5906LP0002 [0,0,0,0,0,2|2,0,0]=4