0 B17R2.20017 CC(c1cc2ccccc2s1)N(O)C(N)=O Amb5719598 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.20017 NC(C(=O)O)C(O)c1cc2ccccc2s1 Amb33312904 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.20017 O=C(O)C(O)C(O)c1nc2ccccc2s1 Amb2519030 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.6271 CC(=O)N(C)Cc1nc2ccccc2s1 Amb20731594 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.6271 CC(Cc1cc2ccccc2s1)C(=O)O Amb33195466 [1,0,0,0,0,0|3,0,0]=4 5 B16R2.6271 NC(Cc1cc2ccccc2s1)C(=O)O Amb33171619 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.6271 O=C(O)C(=O)Cc1cc2ccccc2s1 Amb33197142 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.6271 O=C(O)C(O)Cc1cc2ccccc2o1 Amb33353395 [1,0,0,0,0,0|2,1,0]=4 8 B16R2.6271 O=C(O)C(O)Cc1cc2ccccc2s1 Amb33313246 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.11592 CC(=O)NC(C)c1nc2ccccc2s1 Amb24073018 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.11592 CC(CC(=O)O)c1cc2ccccc2s1 Amb25939002 [1,0,0,0,0,0|2,0,0]=3 11 B16R2.11592 CC(CC(=O)[O-])c1[nH+]c2ccccc2s1 Amb2812643 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.11592 NC(=O)C[C@H](N)c1cc2ccccc2o1 Amb27658665 [1,0,0,0,0,0|2,1,0]=4 13 B16R2.11592 NC(CC(=O)O)c1cc2ccccc2s1 Amb26344600 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.11592 O=C(O)CC(O)c1cc2ccccc2s1 Amb33080327 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.11592 O=C(O)C[C@@H](O)c1cc2ccccc2s1 Amb33312855 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.11592 O=C(O)C[C@H](O)c1cc2ccccc2s1 Amb33312843 [1,0,0,0,0,0|3,0,0]=4 17 B18R2.18414 CC(c1cc2ccccc2o1)N(C)C(=O)CCl Amb19514425 [0,1,0,0,0,0|2,1,0]=4 18 B18R2.18414 CC(c1nc2ccccc2s1)N(C)C(=O)CCl Amb2332583 [0,1,0,0,0,0|3,0,0]=4 19 B15R2.1356 CC(CCN)c1cc2ccccc2s1 Amb18782050 [2,0,0,0,0,0|1,0,1]=4 20 B15R2.1356 CC(CON)c1cc2ccccc2s1 Amb33312845 [2,0,0,0,0,0|2,0,0]=4 21 B15R2.1356 CC(N=C=O)c1cc2ccccc2s1 Amb33313248 [2,0,0,0,0,0|0,0,2]=4 22 B15R2.1356 CC(NC=O)c1cc2ccccc2o1 Amb27417596 [2,0,0,0,0,0|0,1,0]=3 23 B15R2.1356 CN(NC=O)c1nc2ccccc2s1 Amb27756469 [2,0,0,0,0,0|2,0,0]=4 24 B15R2.1356 CONC(C)c1cc2ccccc2s1 Amb27225614 [2,0,0,0,0,0|2,0,0]=4 25 B15R2.1569 NCC(O)Cc1cc2ccccc2s1 Amb33312507 [2,0,0,0,0,0|1,0,1]=4 26 B15R2.4244 CC(=O)C(C)c1cc2ccccc2s1 Amb24638578 [2,0,0,0,0,0|2,0,0]=4 27 B15R2.4244 CC(C(=O)O)c1cc2ccccc2o1 Amb18952035 [2,0,0,0,0,0|1,1,0]=4 28 B15R2.4244 CC(C(=O)O)c1cc2ccccc2s1 Amb2642832 [2,0,0,0,0,0|1,0,0]=3 29 B15R2.4244 CC(C(=O)O)c1nc2ccccc2s1 Amb24337029 [2,0,0,0,0,0|2,0,0]=4 30 B15R2.4244 NC(C(=O)O)c1cc2ccccc2s1 Amb3941913 [2,0,0,0,0,0|2,0,0]=4 31 B15R2.4244 N[C@@H](C(=O)O)c1cc2ccccc2s1 Amb27160016 [2,0,0,0,0,0|2,0,0]=4 32 B15R2.4244 N[C@H](C(=O)O)c1cc2ccccc2s1 Amb26326610 [2,0,0,0,0,0|2,0,0]=4 33 B15R2.4244 O=C(O)C(O)c1cc2ccccc2s1 Amb27166052 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.1660 CC(=O)CCc1cc2ccccc2s1 Amb33312492 [2,0,0,0,0,0|2,0,0]=4 35 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 Amb8537939 [2,0,0,0,0,0|2,0,0]=4 36 B15R2.1660 N=C(N)NCc1cc2ccccc2o1 Amb28286796 [2,0,0,0,0,0|1,1,0]=4 37 B15R2.1660 NC(=O)NCc1nc2ccccc2s1 Amb25275162 [2,0,0,0,0,0|1,0,0]=3 38 B15R2.1660 NC(=O)NNc1nc2ccccc2s1 Amb25970075 [2,0,0,0,0,0|2,0,0]=4 39 B15R2.1660 NC(=O)NSc1nc2ccccc2s1 Amb27211364 [2,0,0,0,0,0|2,0,0]=4 40 B15R2.1660 NC(=O)\C=C\c1cc2ccccc2s1 Amb26037195 [2,0,0,0,0,0|1,0,1]=4 41 B15R2.1660 O=C(O)CCc1cc2ccccc2s1 Amb18655531 [2,0,0,0,0,0|2,0,0]=4 42 B17R2.2205 CN(Cc1cc2ccccc2s1)C(=O)CN Amb31103845 [1,1,0,0,0,0|1,0,0]=3 43 B17R2.2205 COC(=O)C(O)Cc1cc2ccccc2s1 Amb33312514 [1,1,0,0,0,0|2,0,0]=4 44 B17R2.7477 COC(Cc1cc2ccccc2s1)C(=O)O Amb33312512 [1,1,0,0,0,0|2,0,0]=4 45 B17R2.44719 CC(O)(Cc1cc2ccccc2s1)C(=O)O Amb33312508 [1,1,0,0,0,0|2,0,0]=4 46 B17R2.6128 CC(NC(=O)CCl)c1cc2ccccc2o1 Amb461643 [1,1,0,0,0,0|1,1,0]=4 47 B17R2.6128 CC(NC(=O)CN)c1nc2ccccc2s1 Amb31174290 [1,1,0,0,0,0|1,0,0]=3 48 B17R2.45066 CC(C)(CC(=O)O)c1cc2ccccc2s1 Amb33313237 [1,1,0,0,0,0|2,0,0]=4 49 B17R2.45688 NCC(CC(=O)O)c1cc2ccccc2s1 Amb33358698 [1,1,0,0,0,0|2,0,0]=4 50 B17R3.17530 O=C1CC(c2cc3ccccc3s2)CN1 Amb33171395 [1,0,0,1,0,0|1,0,0]=3 51 B17R3.17530 O=C1CC(c2nc3ccccc3s2)CN1 Amb33273897 [1,0,0,1,0,0|2,0,0]=4 52 B17R3.17530 O=C1NC(c2cc3ccccc3s2)CO1 Amb33312162 [1,0,0,1,0,0|1,0,0]=3 53 B17R3.17530 O=C1NC(c2nc3ccccc3s2)CO1 Amb33273896 [1,0,0,1,0,0|2,0,0]=4 54 B17R3.17530 O=C1NCC(c2cc3ccccc3s2)O1 Amb33312161 [1,0,0,1,0,0|1,0,0]=3 55 B17R3.17530 O=C1NCC(c2nc3ccccc3s2)O1 Amb33273895 [1,0,0,1,0,0|2,0,0]=4 56 B15R2.4228 CN(Cc1cc2cscc2s1)C(N)=O Amb35630791 [1,0,0,0,1,0|2,0,0]=4