0 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BB_SC-01598 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BB_NC-02170 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BB_SC-06690 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.20 CC1=CC=C(NC(=S)[S-])C=C1 BB_SC-09418 [1,0,0,0,0,0|2,1,0]=4 6 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 BB_SC-06050 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB_NC-00007 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BB_SC-07389 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.83 COC1=CC=C(CCCl)C=C1 BB_SC-07143 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.83 COC1=CC=C(CCN)C=C1 BB_NC-02181 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.83 COC1=CC=C(CCO)C=C1 BB_SC-09388 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.83 COC1=CC=C(N=C=S)C=C1 BB_SC-01850 [1,0,0,0,0,0|1,1,1]=4 15 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BB_NC-00676 [1,0,0,0,0,0|0,0,1]=2 16 B13R1.5 COC1=CC=C(NC(=O)CN)C=C1 BB_SC-08383 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 BB_SC-06680 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.36 COC1=CC=C(C(N)C(C)C)C=C1 BB_NC-02843 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.142 CC(=O)NC1=CC=C(N=C=S)C=C1 BB_SC-01832 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 BB_SC-07268 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 BB_SC-06953 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 BB_NC-01364 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 BB_SC-03054 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.2121 COC1=CC=C2NC(=S)NC2=C1 BB_SC-01604 [0,0,0,1,0,0|2,1,0]=4 25 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 BB_SC-06916 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BB_SC-06870 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BB_SC-07129 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 BB_SC-06994 [0,0,0,0,1,0|1,0,0]=2 29 B11R1.3 COC1=CC=C(C(=O)O)C=N1 BB_SC-04906 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BB_SC-02991 [0,0,0,0,1,0|0,1,0]=2 31 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 BB_NC-00019 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB_SC-05430 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 BB_SC-05597 [0,0,0,0,1,0|3,0,0]=4 34 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB_NC-02171 [0,0,0,0,0,1|0,0,0]=1 35 B13R1.3 COC1=CC=C(CNC(=N)N)C=C1 BB_SC-04471 [0,0,0,0,0,1|2,0,0]=3 36 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 BB_SC-07769 [0,0,0,0,0,1|1,1,0]=3 37 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 BB_NC-02807 [0,0,0,0,0,1|0,0,0]=1 38 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BB_NC-02453 [0,0,0,0,0,1|1,0,0]=2 39 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB_NC-02252 [0,0,0,0,0,1|1,0,1]=3 40 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB_NC-03136 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [2,0,0,0,0,0|0,0,0]=2 43 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.3 COC1=CC=C(C=O)C=C1 BB_NC-02206 [2,0,0,0,0,0|0,0,0]=2 48 B10R1.3 COC1=CC=C(CN)C=C1 BB_NC-02172 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.3 COC1=CC=C(CO)C=C1 BB_NC-02176 [2,0,0,0,0,0|0,0,1]=3 50 B10R1.3 COC1=CC=C(NN)C=C1 BB_SC-09378 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.3 CSC1=CC=C(C=O)C=C1 BB_SC-11238 [2,0,0,0,0,0|0,1,0]=3 52 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 BB_SC-09536 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 BB_NC-02014 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BB_SC-08128 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.71 COC1=CC=C(CN=C=S)C=C1 BB_NC-02790 [1,1,0,0,0,0|0,1,1]=4 56 B12R1.71 COC1=CC=C(OCCBr)C=C1 BB_SC-08040 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.71 COC1=CC=C(OCCN)C=C1 BB_SC-11754 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.288 C=CCC1=CC(O)=C(OC)C=C1 BB_NC-00478 [1,1,0,0,0,0|0,0,1]=3 59 B12R1.288 CCCC1=CC(O)=C(OC)C=C1 BB_NC-00502 [1,1,0,0,0,0|0,0,1]=3 60 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=C1 BB_SC-06988 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=N1 BB_SC-07322 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB_SC-02684 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.48 COC1=CC=C(C(=O)O)C=C1N BB_SC-04636 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.48 COC1=CC=C(C(=O)O)C=C1O BB_NC-02259 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.48 COC1=CNC(C(=O)O)=CC1=O BB_NC-03234 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB_NC-03101 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 BB_SC-06874 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 BB_SC-06662 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 BB_SC-04592 [0,1,0,0,1,0|0,0,0]=2 70 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 BB_SC-02796 [0,1,0,0,1,0|0,0,0]=2 71 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 BB_NC-02135 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BB_NC-02368 [0,1,0,0,0,1|1,1,0]=4 73 B14R1.3 [C@H](N)(CC1=CC=C(OC)C=C1)C(=O)O BB_NC-02034 [0,1,0,0,0,1|1,0,0]=3 74 B14R1.5 COC(=O)CNC1=CC=C(OC)C=C1 BB_SC-08643 [0,1,0,0,0,1|0,0,0]=2 75 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 BB_NC-00164 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.5 COC1=CC=C(CNC(=O)CN)C=C1 BB_SC-08046 [0,1,0,0,0,1|0,0,0]=2 77 B14R1.5 COC1=CC=C(OCC(O)CN)C=C1 BB_NC-02459 [0,1,0,0,0,1|0,0,2]=4 78 B14R1.5 COC1=CC=C(OC\C(N)=N\O)C=C1 BB_SC-09057 [0,1,0,0,0,1|1,0,1]=4 79 B14R1.419 CC(=O)\C=C\C1=CC=C(N(C)C)C=C1 BB_SC-00132 [0,1,0,0,0,1|1,0,1]=4 80 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1O BB_NC-03267 [0,1,0,0,0,1|1,0,1]=4 81 B14R1.954 COC1=CC=C(NC(=O)CCN)C=C1 BB_SC-08515 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC BB_NC-02258 [0,2,0,0,0,0|0,0,0]=2 83 B14R1.5801 CC(=O)NC1=CC=C(C(C)=O)C(O)=C1 BB_NC-02373 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.8 COC1=CC=C(C(CN)N(C)C)C=C1 BB_SC-04096 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.717 CC(=O)NC1=CC=C(C(=O)CCl)C=C1 BB_SC-04383 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.805 CC(=O)CC1=CC=C(OC(C)C)C=C1 BB_NC-00188 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 BB_NC-02804 [0,0,1,1,0,0|1,0,1]=4 88 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 BB_SC-04983 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BB_SC-05274 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 BB_SC-01605 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 BB_SC-09910 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BB_SC-05336 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.44 COC1=CC2=C(C=C1)NC=C2 BB_NC-01198 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 BB_SC-05067 [0,0,0,1,0,1|1,0,1]=4 95 B14R2.328 COC1=CC=C(OCC2CO2)C=C1 BB_SC-00674 [0,0,0,1,0,1|0,0,2]=4 96 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 BB_SC-00315 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 BB_NC-02835 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [1,0,0,0,1,0|1,0,0]=3 99 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [1,0,0,0,1,0|0,0,0]=2 100 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [1,0,0,0,1,0|1,0,0]=3 101 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [1,0,0,0,1,0|1,0,0]=3 102 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [1,0,0,0,1,0|1,0,0]=3 103 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [1,0,0,0,1,0|0,0,0]=2 104 B10R1.13 CC(C)C1=CC=C(O)C=C1 BB_SC-12725 [1,0,0,0,1,0|1,0,1]=4 105 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [1,0,0,0,1,0|1,0,0]=3 106 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BB_SC-05091 [1,0,0,0,1,0|2,0,0]=4 107 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BB_SC-03474 [1,0,0,0,1,0|1,1,0]=4 108 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BB_SC-06735 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [1,0,0,0,1,0|1,0,0]=3 111 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [1,0,0,0,0,1|0,0,0]=2 112 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 BB_SC-00478 [1,0,0,0,0,1|1,0,1]=4 113 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 BB_NC-00222 [1,0,0,0,0,1|1,0,1]=4 114 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB_SC-07359 [1,0,0,0,0,1|2,0,0]=4 115 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [1,0,0,0,0,1|2,0,0]=4 116 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB_SC-01486 [1,0,0,0,0,1|2,0,0]=4 117 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [1,0,0,0,0,1|1,0,0]=3 118 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [1,0,0,0,0,1|1,0,0]=3 119 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BB_NC-02249 [1,0,0,0,0,1|1,0,1]=4 120 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 BB_NC-02558 [0,0,0,0,0,2|1,0,0]=3 121 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 BB_SC-09522 [0,0,0,0,0,2|1,0,0]=3