0  B12R1.30  c1cc(cnc1)C(=O)CCCO WXC01993 [0,0,0,0,0,0|3,0,0]=3
1  B12R1.30  c1ccnc(c1)C(=O)NCCBr WX630201 [0,0,0,0,0,0|3,0,0]=3
2  B11R1.16  CCOC(=O)c1cnccn1 WX618267 [1,0,0,0,0,0|2,0,0]=3
3  B11R1.16  c1ccc(cc1)C(=O)CC#N WX683081 [1,0,0,0,0,0|1,0,1]=3
4  B11R1.28  c1ccc(cc1)COCCN WXC01524 [1,0,0,0,0,0|1,0,1]=3
5  B13R1.47  CCOC(=O)C(=C)c1ccccc1 WXC01707 [0,1,0,0,0,0|3,0,0]=4
6  B13R2.3  c1ccc(cc1)C2CCCCN2 WX604287 [0,0,0,1,0,0|2,0,1]=4
7  B13R2.10  Cc1cc(on1)c2ccccc2 WX690012 [0,0,0,1,0,0|2,0,1]=4
8  B13R2.690  c1ccc(cc1)C(=O)CC2CC2 WX626060 [0,0,0,1,0,0|1,0,0]=2
9  B13R2.5252  c1ccc2c(c1)C(=O)NCCO2 WX619191 [0,0,0,1,0,0|2,0,0]=3
10  B10R1.15  COC(=O)c1ccncn1 WX618355 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.15  COC(=O)c1ncccn1 WXC01002 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.15  N=C(\c1ccccc1)/OC WXC04573 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.15  c1ccc(cc1)C(=O)CF WXFC0145 [2,0,0,0,0,0|1,0,0]=3
14  B10R1.15  c1ccnc(c1)C(=O)CBr WX631026 [2,0,0,0,0,0|2,0,0]=4
15  B10R1.15  c1cnccc1C(=O)CBr WX631022 [2,0,0,0,0,0|2,0,0]=4
16  B12R1.16  CCOC(=O)c1ccc(nc1)N WXC01787 [1,1,0,0,0,0|1,0,0]=3
17  B12R1.17  CCOC(=O)c1cc(ncn1)O WX618196 [1,1,0,0,0,0|2,0,0]=4
18  B12R1.17  CCOC(=O)c1cc[nH]c(=O)c1 WX618310 [1,1,0,0,0,0|1,0,0]=3
19  B12R1.17  CCOC(=O)c1ccnc(c1)Cl WXC02080 [1,1,0,0,0,0|1,0,0]=3
20  B12R1.308  CCNC(=O)c1ccccc1Br WX633149 [1,1,0,0,0,0|1,0,0]=3
21  B12R1.308  CCNC(=O)c1ccccc1O WX645076 [1,1,0,0,0,0|1,0,0]=3
22  B12R1.308  CCOC(=O)c1cnccc1C WX618177 [1,1,0,0,0,0|1,0,0]=3
23  B12R1.308  CCOC(=O)c1cncnc1Cl WX618227 [1,1,0,0,0,0|2,0,0]=4
24  B12R1.8  c1ccc(cc1)CNCCCO WXC02407 [1,1,0,0,0,0|1,0,1]=4
25  B12R1.252  CC(C)CNCc1ccccc1 WX600341 [1,1,0,0,0,0|1,0,1]=4
26  B14R1.2523  c1cc(c(cc1F)F)C(=O)CCCCl WXC02428 [0,2,0,0,0,0|2,0,0]=4
27  B12R2.1081  c1cc2c(nc1)C(=O)CCC2 WX625030 [1,0,0,1,0,0|1,0,0]=3
28  B12R2.1081  c1cc2c(nc1)NCCC2=O WXC03764 [1,0,0,1,0,0|2,0,0]=4
29  B12R2.1081  c1ccc2c(c1)C(=O)CCN2 WX604538 [1,0,0,1,0,0|1,0,0]=3
30  B12R2.2028  C[C@@H]1c2ccccc2C(=O)N1 WX619181 [1,0,0,1,0,0|1,0,0]=3
31  B12R2.2058  c1ccc(cc1)NC2CCC2 WXC03097 [1,0,0,1,0,0|2,0,0]=4
32  B14R2.517  c1ccc2c(c1)C(C(=O)N2)CCN WX600049 [0,0,0,1,0,1|2,0,0]=4
33  B14R2.1019  CCc1[nH]c(=O)c2ccccc2n1 WX619021 [0,1,0,1,0,0|1,0,1]=4
34  B14R2.5637  c1cc2c(cc1N)C(=O)NCCO2 WX603152 [0,1,0,1,0,0|2,0,0]=4
35  B14R2.4633  c1ccc(c(c1)C(=O)NC2CC2)N WXC02159 [0,1,0,1,0,0|1,0,0]=3
36  B10R1.11  CCOC(=O)c1cc[nH]c1 WX618469 [1,0,0,0,1,0|1,0,0]=3
37  B10R1.11  CCOC(=O)c1cc[nH]n1 WX618308 [1,0,0,0,1,0|2,0,0]=4
38  B10R1.11  CCOC(=O)c1cnc[nH]1 WX618277 [1,0,0,0,1,0|2,0,0]=4
39  B10R1.11  CCOC(=O)c1cocn1 WX618478 [1,0,0,0,1,0|2,0,0]=4