0  B13R1.337  c1ccc(cc1)NCCCC(=O)O AB55233 [0,0,0,0,0,0|3,0,1]=4
1  B14R2.2  CC(=O)OC1=c2ccccc2=NC1 AB01158 [0,0,0,1,0,0|1,0,2]=4
2  B14R2.19  c1ccc(cc1)CN2CCC(=O)C2 PB19844 [0,0,0,1,0,0|2,0,1]=4
3  B14R2.21  c1ccc(cc1)C2CCCC(=O)C2 AB04809 [0,0,0,1,0,0|1,0,2]=4
4  B14R2.436  c1ccc(cc1)COC2CC(=O)C2 PB10694 [0,0,0,1,0,0|2,0,1]=4
5  B14R2.31359  CC(=O)c1c2ccccc2ccn1 AB43402 [0,0,0,1,0,0|2,0,0]=3
6  B12R1.252  c1ccc(cc1)CNCC(=O)O AB04524 [0,0,0,0,1,0|2,0,1]=4
7  B12R1.252  c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,0,0,1,0|2,0,1]=4
8  B12R1.252  c1ccc(cc1)COCC(=O)O CB10355 [0,0,0,0,1,0|2,0,1]=4
9  B12R1.252  c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,1,0|2,0,1]=4
10  B12R1.252  c1ccc(cc1)NCCC(=O)O MB00619 [0,0,0,0,1,0|2,0,1]=4
11  B12R1.252  c1ccc(cc1)OCCC(=O)O AB00261 [0,0,0,0,1,0|2,0,1]=4
12  B13R1.351  C[C@H](C(=O)[O-])\N=C/c1ccccc1 AB72141 [0,1,0,0,1,0|2,0,0]=4
13  B13R1.513  CC(=O)OCCc1ccc(cc1)O AB51485 [0,1,0,0,1,0|0,0,1]=3
14  B13R1.51  CC(=O)Oc1ccc(cc1C=C)Br AB72078 [0,0,1,1,0,0|1,0,1]=4
15  B13R2.3  c1ccc(cc1)C2=CCOCC2 PB15368 [1,0,0,1,0,0|0,0,1]=3
16  B13R2.1613  c1ccc2c(c1)ccnc2C=O AB28067 [1,0,0,1,0,0|2,0,0]=4
17  B13R2.5252  c1ccc2c(c1)CCCOC2=O AB65833 [1,0,0,1,0,0|0,0,2]=4
18  B13R2.10  c1ccc(cc1)C2CC(=O)NC2 AB09758 [0,0,0,1,1,0|1,0,1]=4
19  B13R2.10  c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,0,0,1,1,0|0,0,2]=4
20  B13R2.10  c1ccc(cc1)c2coc(n2)Br AB66370 [0,0,0,1,1,0|2,0,0]=4
21  B13R2.10  c1ccc(cc1)c2coc(n2)Cl AB64580 [0,0,0,1,1,0|2,0,0]=4
22  B13R2.10  c1ccc(cc1)c2coc(n2)N AB68293 [0,0,0,1,1,0|2,0,0]=4
23  B13R2.72  CC(=O)C1=c2ccccc2=NC1 AB00460 [0,0,0,1,1,0|2,0,0]=4
24  B13R2.72  CC(=O)n1c2ccccc2cn1 MB14951 [0,0,0,1,1,0|2,0,0]=4
25  B13R2.163  c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,0,1,1,0|1,0,1]=4
26  B13R2.5569  CC(=O)C1=C2C=CN=C2C=CC1 PB23334 [0,0,0,1,1,0|2,0,0]=4
27  B15R2.59  CC(=O)C1=NC(=NC1)c2ccccc2 AB58089 [0,1,0,1,0,0|2,0,0]=4
28  B15R2.612  c1ccc(cc1)C(=O)OC2CC(=O)N2 MB00216 [0,1,0,1,0,0|2,0,0]=4
29  B11R1.91  CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,2,0|1,0,0]=3
30  B11R1.91  CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,2,0|0,0,0]=2