0 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.107 CS(=O)CC(=O)c1ccccn1 T33841 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.16 CCCC(=O)c1ccccc1 T20324 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 OCNC(=O)c1cccnc1 T7869 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.91 CC(C)=NNc1ccccc1 T29585 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 T5686 [0,1,0,0,0,0|0,0,0]=1 13 B13R2.328 O[Bi]1OC(=O)c2ccccc2O1 T0424 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,0,0,0,1,0|1,0,1]=3 15 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,0,0,0,1,0|1,0,0]=2 16 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,0,0,0,1,0|1,0,2]=4 17 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.45 CC(C)NNC(=O)c1ccncc1 T0821 [0,0,0,0,0,1|2,0,0]=3 19 B13R1.45 CC(C)NNC(=O)c1ccncc1 T20085 [0,0,0,0,0,1|2,0,0]=3 20 B13R1.348 CC(C)OC(=O)Nc1ccccc1 T34151 [0,0,0,0,0,1|0,0,0]=1 21 B10R1.15 C=CC(=O)c1ccccc1 T20607 [2,0,0,0,0,0|0,0,2]=4 22 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.15 CNC(=O)c1ccccc1 T12150 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.15 CNC(=O)c1cccnc1 T5233 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.15 COC(=O)c1cccnc1 T5562 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.15 COC(c1ncccc1)=O T22220 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.15 O=CC(=O)c1ccccc1 T38465 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|0,0,1]=3 29 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.17 CCOC(=O)c1cccc(O)c1 T20469 [1,1,0,0,0,0|0,0,0]=2 37 B12R1.17 CCOC(c1cc(N)ccc1)=O T21483 [1,1,0,0,0,0|0,0,0]=2 38 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.308 NCCC(=O)c1ccccc1N T32431 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.564 CC(C)(C)C(=O)c1ccccc1 T20369 [0,1,0,0,1,0|0,0,0]=2 41 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,1,0,0,1,0|1,0,1]=4 42 B14R1.678 CC(C)COC(=O)c1ccc(N)cc1 T20336 [0,1,0,0,0,1|0,0,0]=2 43 B14R1.678 CC(C)COC(=O)c1ccc(O)cc1 T5670 [0,1,0,0,0,1|0,0,0]=2 44 B14R1.5978 CC(C)OC(=O)Nc1cccc(Cl)c1 T30985 [0,1,0,0,0,1|0,0,0]=2 45 B14R1.5978 CC(C)OC(=O)Nc1cccc(Cl)c1 T7864 [0,1,0,0,0,1|0,0,0]=2 46 B14R1.685 CN(C)CC(=O)c1ccc(O)c(O)c1 T50047 [0,2,0,0,0,0|2,0,0]=4 47 B14R2.792 O=C(CNC1CC1)c2ccccc2 T33004 [0,0,0,1,0,1|1,0,0]=3 48 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,0,0,1,0,1|2,0,0]=4 49 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,0,0,1,0,1|2,0,0]=4 50 B14R2.21 CC1CCOC(O1)c2ccccc2 T29279 [0,1,0,1,0,0|0,0,2]=4 51 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O T16239 [0,1,0,1,0,0|1,0,1]=4 52 B14R2.7724 O[C@H]1CC(=O)c2ccccc2[C@@H]1O TN2875 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.28480 CC1CC(=O)c2c(C)cccc2O1 TN5677 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.28480 C[C@@H]1Cc2cccc(O)c2C(=O)O1 TMA0343 [0,1,0,1,0,0|0,0,0]=2 55 B14R2.28480 C[C@H]1Cc2cccc(O)c2C(=O)O1 TN4516 [0,1,0,1,0,0|0,0,0]=2 56 B10R1.11 CCCC(=O)c1cccs1 T20377 [1,0,0,0,1,0|2,0,0]=4 57 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|1,0,1]=4 58 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,1,0|1,0,1]=4 59 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,1,0|1,0,1]=4 60 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [1,0,0,0,0,1|1,0,0]=3 61 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [1,0,0,0,0,1|0,0,0]=2