0  B12R1.252  CC(=O)O\C=C\c1ccccc1 tox015 [0,0,0,0,0,0|2,0,2]=4
1  B11R1.28  c1cc(cnc1)CCCCN tv004lit2 [1,0,0,0,0,0|2,0,1]=4
2  B11R1.28  c1ccnc(c1)CCCCN tv004lit6 [1,0,0,0,0,0|2,0,1]=4
3  B11R1.28  c1cnccc1CCCCN tv004lit1 [1,0,0,0,0,0|2,0,1]=4
4  B13R2.10  c1ccc(cc1)C2CNC(=O)N2 a266de2 [0,0,0,1,0,0|2,0,0]=3
5  B13R2.10  c1ccc(cc1)C2CNC(=O)O2 wm002 [0,0,0,1,0,0|1,0,0]=2
6  B13R2.10  c1ccc(cc1)C2CNC(=S)O2 wm001 [0,0,0,1,0,0|1,1,0]=3
7  B13R2.10  c1ccc(cc1)[C@H]2CC(=O)NC2 jg119 [0,0,0,1,0,0|2,0,0]=3
8  B11R1.172  c1c[nH]cc1CCCC(=O)O a138 [0,0,0,0,1,0|1,0,0]=2
9  B13R1.337  c1ccnc(c1)SSCCC(=O)O bc376 [0,0,0,0,0,1|2,0,0]=3
10  B10R1.17  c1cc(cnc1)CCCCl tv003vp1 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.17  c1cc(cnc1)CCCN tv003 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.17  c1ccc(cc1)C\C=N\O ab004 [2,0,0,0,0,0|1,0,1]=4
13  B10R1.17  c1cnccc1CCCCl tv004vp1 [2,0,0,0,0,0|2,0,0]=4
14  B10R1.17  c1cnccc1CCCN tv004 [2,0,0,0,0,0|2,0,0]=4
15  B12R1.8  c1ccc(cc1)COCCCI bio060 [1,1,0,0,0,0|1,0,1]=4
16  B12R1.125  c1ccc(c(c1)OCC(=O)O)I jmc034 [0,1,0,0,1,0|1,0,0]=3
17  B14R1.818  c1ccc(cc1)CNC(=O)CC(=O)O bio055 [0,1,0,0,0,1|0,0,1]=3
18  B14R1.3331  CS(=O)(=O)OCCCc1ccccc1 jmc133 [0,1,0,0,0,1|1,0,1]=4
19  B14R1.415  c1ccc(cc1)C(=O)CC(C(=O)O)N bio047 [0,2,0,0,0,0|0,0,1]=3
20  B14R2.68  c1ccc(cc1)C2CNC(=O)NC2 a266de6 [0,1,0,1,0,0|2,0,0]=4
21  B14R2.768  c1ccc2c(c1)cc(o2)CC(=O)O s034 [0,1,0,1,0,0|0,0,2]=4
22  B14R2.598  CC1C(NC(=O)O1)c2ccccc2 a266de13 [0,1,0,1,0,0|2,0,0]=4