0 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 C\C(=N/O)C1=CN=CC=C1 BB_SC-12646 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB_SC-12259 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 N#CCC1=NC=CC=C1 BB_SC-05130 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,0,0,0,0,0|0,0,2]=3 30 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 S=C=NC1=CC=CC=C1 BB_SC-09412 [1,0,0,0,0,0|1,1,1]=4 32 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BB_SC-01802 [0,1,0,0,0,0|0,1,1]=3 33 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB_NC-01337 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.23 NCC(O)C1=CC(O)=CC=C1 BB_NC-02015 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 BB_NC-00460 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 BB_NC-00505 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BB_NC-02227 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 BB_NC-02315 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB_NC-02262 [0,0,0,0,0,1|0,0,1]=2 40 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [0,0,0,0,0,1|1,0,2]=4 41 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [2,0,0,0,0,0|1,0,1]=4 42 B8R1.2 C=CC1=CC=NC=C1 BB_SC-05441 [2,0,0,0,0,0|1,0,1]=4 43 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|0,0,1]=3 54 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [1,1,0,0,0,0|0,0,1]=3 55 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [1,1,0,0,0,0|0,0,1]=3 56 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [1,1,0,0,0,0|0,0,1]=3 57 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [1,1,0,0,0,0|0,0,1]=3 58 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [1,1,0,0,0,0|0,0,1]=3 59 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.13 CC(C)C1=CC=C(N)C=C1 BB_SC-12018 [1,1,0,0,0,0|0,0,1]=3 61 B10R1.13 CC(C)C1=CC=C(O)C=C1 BB_SC-12725 [1,1,0,0,0,0|0,0,1]=3 62 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BB_SC-11893 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BB_SC-05091 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BB_SC-06735 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 BB_SC-06256 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BB_SC-07099 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BB_SC-05141 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 BB_SC-07030 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [1,1,0,0,0,0|0,0,1]=3 73 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [1,1,0,0,0,0|0,0,1]=3 74 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [1,1,0,0,0,0|0,0,1]=3 75 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 BB_SC-06956 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BB_SC-00234 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.61 NC1=CC=CC=C1C(=O)O BB_NC-02812 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] BB_SC-10672 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 BB_SC-06826 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 BB_SC-06990 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.61 O=C(O)C1=C(I)C=CC=C1 BB_SC-06764 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.61 O=C(O)C1=CC=CC=C1F BB_SC-09447 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [1,1,0,0,0,0|0,0,1]=3 84 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [1,1,0,0,0,0|0,0,1]=3 85 B10R1.113 NC(=O)C1=CC=CC(N)=C1 BB_SC-07456 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BB_SC-12388 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.1 NCCC1=CC=C(F)C=C1 BB_SC-03162 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 BB_SC-06546 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 BB_SC-06830 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.17 N#C\C=C\C1=CC=CC=C1 BB_SC-12715 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,1,0,0,0,0|0,0,2]=4 106 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [1,1,0,0,0,0|0,0,2]=4 107 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [1,1,0,0,0,0|0,1,1]=4 108 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.18 NC(=S)NC1=CC=CC=C1 BB_SC-06692 [1,1,0,0,0,0|1,1,0]=4 112 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 BB_NC-03174 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 BB_NC-01383 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [0,1,0,0,0,1|0,0,0]=2 117 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02378 [0,1,0,0,0,1|1,0,0]=3 118 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O BB_NC-03303 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.118 CC\C(C=O)=C\C1=CC=CC=C1 BB_NC-00174 [0,1,0,0,0,1|0,0,1]=3 120 B12R1.118 COC(CC1=CC=CC=C1)OC BB_SC-07095 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BB_SC-08760 [0,1,0,0,0,1|1,0,1]=4 122 B12R1.13 N#CC(C=O)C1=CC(Cl)=CC=C1 BB_SC-08080 [0,2,0,0,0,0|0,0,1]=3 123 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BB_NC-02198 [0,2,0,0,0,0|0,0,0]=2 124 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BB_SC-03407 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BB_NC-02022 [0,2,0,0,0,0|0,0,0]=2 126 B12R1.16 O=C\C=C(/Cl)C1=CC=C(F)C=C1 BB_SC-07625 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00115 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BB_NC-00092 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB_NC-02136 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 BB_SC-09536 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 BB_NC-02014 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 BB_SC-00358 [0,2,0,0,0,0|1,0,1]=4 133 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [1,0,0,1,0,0|0,0,1]=3 134 B10R2.7 C1=CC2=C(C=C1)NC=C2 BB_NC-02223 [1,0,0,1,0,0|1,0,1]=4 135 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|1,0,1]=4 136 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB_NC-02184 [0,0,0,1,0,1|1,0,1]=4 137 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [0,0,0,1,0,1|0,0,2]=4 138 B12R2.32 NCC1CC2=CC=CC=C2O1 BB_SC-03440 [0,0,0,1,0,1|1,0,1]=4 139 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB_SC-10048 [0,0,0,1,0,1|1,0,1]=4 140 B12R2.32 OCC1CC2=CC=CC=C2O1 BB_SC-02420 [0,0,0,1,0,1|0,0,2]=4 141 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BB_NC-00219 [0,1,0,1,0,0|0,0,2]=4 142 B12R2.1 OCN1C=NC2=C1C=CC=C2 BB_SC-05417 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB_SC-06077 [0,1,0,1,0,0|1,0,1]=4 144 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 BB_SC-06710 [0,1,0,1,0,0|1,0,1]=4 145 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 BB_SC-12392 [0,1,0,1,0,0|1,0,1]=4 146 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 BB_SC-05107 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BB_NC-02622 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BB_SC-05461 [0,1,0,1,0,0|1,0,1]=4 149 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 BB_NC-01186 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [1,0,0,0,1,0|1,0,1]=4 151 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [1,0,0,0,1,0|1,0,1]=4 152 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [1,0,0,0,1,0|1,0,1]=4