0 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.16 CCCC(=O)c1ccccc1 T20324 [1,0,0,0,0,0|0,0,0]=1 2 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [1,0,0,0,0,0|0,0,0]=1 3 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 OCNC(=O)c1cccnc1 T7869 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 OCCOCc1ccccc1 T14013 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.17 CCCCC(=O)c1ccc(O)cc1 T20372 [0,1,0,0,0,0|1,0,0]=2 8 B13R1.17 CCCOC(=O)c1ccc(N)cc1 T20260 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.17 CCCOC(=O)c1ccc(O)cc1 T5557 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5470 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 T5678 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.17 O=C(NCCN)C1=CC=C(Cl)C=C1 T28559 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.17 OCCNC(=O)c1ccc(O)cc1 TN1456 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.24 CCCCOC(=O)c1ccccc1 T20001 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.45 CC(C)NNC(=O)c1ccncc1 T0821 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.45 CC(C)NNC(=O)c1ccncc1 T20085 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T4815 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T8365 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.47 CCOC(=O)C(=O)c1ccccc1 T20351 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.674 OCCOC(=O)c1ccccc1O T13709 [0,1,0,0,0,0|1,0,0]=2 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|1,0,1]=4 30 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 OCCOc1ccccc1 T20293 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [1,1,0,0,0,0|0,0,0]=2 37 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.17 CCOC(=O)c1cccc(O)c1 T20469 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.17 CCOC(c1cc(N)ccc1)=O T21483 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.107 CS(=O)CC(=O)c1ccccn1 T33841 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.308 NCCC(=O)c1ccccc1N T32431 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.8 CCCCCOc1ccccc1 T25936 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.8 CNCC/C=C/c1cccnc1 T12738L [1,1,0,0,0,0|2,0,0]=4 49 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12738 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12739 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T26096 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.8 CNCC\C=C\C1=CN=CC=C1 T23235 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.267 CCCCCc1ccccc1O T33809 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.34 CCCOC(=O)Nc1cccc(O)c1 T34157 [0,1,0,0,0,1|0,0,0]=2 57 B14R1.34 O=C(OCC=C)NC1=CC=CC(O)=C1 T30733 [0,1,0,0,0,1|0,0,2]=4 58 B14R1.34 O=C(OCC=C)NC1=CC=CC(O)=C1 T33375 [0,1,0,0,0,1|0,0,2]=4 59 B14R1.19 CCCCOC(=O)c1ccc(N)cc1 T0916 [0,2,0,0,0,0|0,0,0]=2 60 B14R1.19 CCCCOC(=O)c1ccc(O)cc1 T0927 [0,2,0,0,0,0|0,0,0]=2 61 B14R1.678 CC(C)COC(=O)c1ccc(N)cc1 T20336 [0,2,0,0,0,0|0,0,0]=2 62 B14R1.678 CC(C)COC(=O)c1ccc(O)cc1 T5670 [0,2,0,0,0,0|0,0,0]=2 63 B14R1.38 CCCCCCC(=O)c1ccncc1 T29299 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.420 OC(=O)CCNC(=O)c1ccccc1 T1430 [0,2,0,0,0,0|1,0,1]=4 65 B12R2.2 C1CN=C(C1)c2cccnc2 T7671 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [1,0,0,1,0,0|0,0,2]=4 67 B14R2.21 CC1CCOC(O1)c2ccccc2 T29279 [0,1,0,1,0,0|0,0,2]=4 68 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O T16239 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.7724 O[C@H]1CC(=O)c2ccccc2[C@@H]1O TN2875 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.68 O[C@H]1CO[C@@H](OC1)c2ccccc2 T29456 [0,1,0,1,0,0|0,0,2]=4 71 B14R2.68 O[C@H]1CO[C@H](OC1)c2ccccc2 T29455 [0,1,0,1,0,0|0,0,2]=4 72 B14R2.8051 O[C@@H]1CCC(=O)c2c(O)cccc12 TN4903 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.8051 O[C@H]1CCC(=O)c2c(O)cccc12 TN6853 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.792 O=C(CNC1CC1)c2ccccc2 T33004 [0,1,0,1,0,0|1,0,0]=3 75 B10R1.11 CCCC(=O)c1cccs1 T20377 [1,0,0,0,1,0|1,0,0]=3 76 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 T27585 [0,0,0,0,0,2|2,0,0]=4 77 B14R1.156 O=C(OCCO)NCC1=CC=CC=C1 T8588 [0,0,0,0,0,2|1,0,0]=3