0 B12R1.35 CCCCCC(=O)c1ccco1 TS12265 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.35 CCCCOC(=O)c1ccco1 TS12524 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.4 CCCCCCc1cccs1 TS65619 [1,0,0,0,0,0|0,1,1]=3 3 B11R1.4 CCCCCCc1ccsc1 TS02785 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.29 C=CCOC(=O)c1ccco1 TS10141 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.29 CCCOC(=O)c1ccco1 TS10415 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.29 c1cc(sc1)C(=O)CCCCl TS16095 [1,0,0,0,0,0|1,1,0]=3 7 B13R1.33 CCOC(=O)CC(=O)c1ccc[nH]1 TS48082 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.33 CCOC(=O)CC(=O)c1ccco1 TS14924 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.33 CCOC(=O)CC(=O)c1cccs1 TS54034 [0,1,0,0,0,0|1,1,1]=4 10 B13R1.48 CCCCCCC(=O)c1cccs1 TS18330 [0,1,0,0,0,0|0,1,0]=2 11 B13R1.48 CCCCCOC(=O)c1ccco1 TS14968 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.342 CC(C)CCOC(=O)c1ccco1 TS48261 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.342 c1cc(sc1)C(=O)CCCC(=O)O TS54032 [0,1,0,0,0,0|1,1,1]=4 14 B11R0.140 CCCCOC(=O)C=CC=CC TS44903 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.24 CCCCCC(=O)c1ccccc1 TS46154 [0,0,0,0,0,1|1,0,0]=2 16 B13R1.24 CCCCOC(=O)c1ccccc1 TS47566 [0,0,0,0,0,1|2,0,0]=3 17 B13R1.24 CCCCOC(=O)c1ccccn1 TS14411 [0,0,0,0,0,1|2,0,0]=3 18 B13R1.24 CCCCOC(=O)c1cccnc1 TS14389 [0,0,0,0,0,1|2,0,0]=3 19 B13R1.24 CCCCOC(=O)c1ccncc1 TS14388 [0,0,0,0,0,1|2,0,0]=3 20 B13R1.24 CCCCSC(=O)c1ccccc1 TS17936 [0,0,0,0,0,1|2,0,0]=3 21 B13R1.24 CNCCCC(=O)c1cccnc1 TS28159 [0,0,0,0,0,1|2,0,0]=3 22 B10R0.71 CCCCCC=CC=CC=C TS40931 [1,0,1,0,0,0|1,0,0]=3 23 B10R0.71 CCCCCC=CC=CC=O TS41184 [1,0,1,0,0,0|0,0,1]=3 24 B10R0.71 CCCCCC=CC=CCO TS41441 [1,0,1,0,0,0|0,0,1]=3 25 B10R0.91 CCCCCC(=O)OCC=C TS41655 [1,0,1,0,0,0|0,0,1]=3 26 B10R1.21 CCCCCc1cccs1 TS10504 [2,0,0,0,0,0|0,1,0]=3 27 B10R1.21 CCCCCc1ccsc1 TS41456 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.21 c1cc(oc1)CSCCN TS10886 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.11 CCCC(=O)c1ccco1 TS06270 [2,0,0,0,0,0|0,0,0]=2 30 B10R1.11 CCCC(=O)c1cccs1 TS10473 [2,0,0,0,0,0|0,1,0]=3 31 B10R1.11 CCCC(c1ccco1)O TS37386 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.11 CCOC(=O)c1ccc[nH]1 TS55898 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.11 CCOC(=O)c1ccco1 TS06431 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.11 CCOC(=O)c1cccs1 TS74499 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.11 CCOC(=O)c1cnco1 TS64893 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.11 CCOC(=O)c1ncco1 TS06570 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.11 c1cc(oc1)C(=O)CC#N TS05974 [2,0,0,0,0,0|1,0,1]=4 38 B12R0.47 CCCCCOC(=O)COCC=C TS15645 [0,1,1,0,0,0|0,0,2]=4 39 B12R1.7 CCCCCCc1cc(cs1)Br TS27591 [1,1,0,0,0,0|0,1,1]=4 40 B12R1.37 CCCCCCCc1ccco1 TS12290 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.37 CCCCCCCc1cccs1 TS15039 [1,1,0,0,0,0|0,1,1]=4 42 B12R1.54 CC(C)COC(=O)c1ccco1 TS12522 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.54 CN(C)CCC(=O)c1cccs1 TS49684 [1,1,0,0,0,0|1,1,0]=4 44 B14R1.19 CCCCCC(=O)c1ccc(cc1)O TS17517 [0,1,0,0,0,1|1,0,0]=3 45 B14R1.19 CCCCOC(=O)c1ccc(cc1)N TS51664 [0,1,0,0,0,1|2,0,0]=4 46 B14R1.19 CCCCOC(=O)c1ccc(cc1)O TS49065 [0,1,0,0,0,1|2,0,0]=4 47 B14R1.19 CCCCOC(=O)c1ccc(cc1)O TS51843 [0,1,0,0,0,1|2,0,0]=4 48 B14R1.38 CCCCCCC(=O)c1ccccc1 TS51153 [0,1,0,0,0,1|1,0,0]=3 49 B14R1.38 CCCCCCC(=O)c1ccccn1 TS17349 [0,1,0,0,0,1|1,0,0]=3 50 B14R1.38 CCCCCOC(=O)c1ccccc1 TS17531 [0,1,0,0,0,1|1,0,0]=3 51 B14R1.38 CCOCCOC(=O)c1ccccc1 TS51837 [0,1,0,0,0,1|2,0,0]=4 52 B14R1.38 c1ccc(cc1)C(=O)OCCCCCl TS21410 [0,1,0,0,0,1|2,0,0]=4 53 B14R1.38 c1ccc(cc1)C(=O)OCCCCI TS74915 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.163 CC(CCC(=O)c1ccccc1)OC TS17522 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.420 CC(C)CCOC(=O)c1ccccc1 TS17509 [0,1,0,0,0,1|2,0,0]=4 56 B14R1.1035 CCCCOC(=O)c1ccccc1N TS51672 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.1035 CCCCOC(=O)c1ccccc1O TS51824 [0,1,0,0,0,1|2,0,0]=4 58 B14R1.100 CCOC(=O)CNC(=O)c1ccco1 TS53827 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.169 CCCCCCCC(=O)c1cccs1 TS20994 [0,2,0,0,0,0|0,1,0]=3 60 B14R1.169 CCCCCCOC(=O)c1ccco1 TS18276 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.28 CCCCCc1cccc(=O)o1 TS12253 [0,0,1,1,0,0|0,0,2]=4 62 B12R1.28 CCCCCc1cccc(c1)O TS42792 [0,0,1,1,0,0|1,0,0]=3 63 B12R1.28 CCCCOc1cccc(c1)O TS12260 [0,0,1,1,0,0|2,0,0]=4 64 B12R2.2 c1cc(sc1)N2CCCCC2 TS43259 [1,0,0,1,0,0|1,1,0]=4 65 B12R1.8 CCCCCCc1ccccc1 TS11621 [1,0,0,0,0,1|1,0,1]=4 66 B12R1.8 CCCCCCc1ccccn1 TS42629 [1,0,0,0,0,1|1,0,1]=4 67 B12R1.8 CCCCCCc1cccnc1 TS11745 [1,0,0,0,0,1|1,0,1]=4 68 B12R1.8 CCCCCNc1ccccc1 TS42630 [1,0,0,0,0,1|2,0,0]=4 69 B12R1.8 CCCCN=Cc1ccccc1 TS42355 [1,0,0,0,0,1|2,0,0]=4 70 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [1,0,0,0,0,1|1,0,0]=3 71 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [1,0,0,0,0,1|1,0,0]=3 72 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [1,0,0,0,0,1|2,0,0]=4 73 B12R1.30 CCSCC(=O)c1ccccc1 TS14653 [1,0,0,0,0,1|2,0,0]=4 74 B12R1.30 c1ccc(cc1)C(=O)CCCBr TS16775 [1,0,0,0,0,1|2,0,0]=4 75 B14R1.158 CCCCOC(=O)Cc1ccccc1 TS17513 [0,0,0,0,0,2|2,0,0]=4 76 B14R1.86 CCCCCC(=O)OCc1ccco1 TS53682 [0,0,0,0,0,2|0,0,0]=2