0 B10R1.13 C=C(C)C1CC=C(C)CC1 D00194 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.13 CN(C)C1=CC=C(O)C=C1 D07852 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.1 COC1=CC=C(O)C=C1 D04926 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 D07568 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D07157 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.22 COC(=O)C1=CC=C(O)C=C1 D01400 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 D02458 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 D01039 [0,1,0,0,0,0|0,0,2]=3 18 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 D00162 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 D00875 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D01643 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D03368 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [0,0,0,0,0,1|2,0,1]=4 24 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.3 OC1=CC=C(Cl)C=C1 D00149 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.3 OC1=CC=C(O)C=C1 D00073 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1Cl D07681 [0,2,0,0,0,0|0,0,2]=4 43 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 D00552 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 D01647 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.16 CCOC(=O)C1=CC=C([O-])C=C1 D10929 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [1,0,0,0,0,1|1,0,1]=4 47 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [1,0,0,0,0,1|1,0,1]=4 48 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [1,0,0,0,0,1|1,0,1]=4 49 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [1,0,0,0,0,1|1,0,1]=4 50 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [1,0,0,0,0,1|1,0,1]=4 51 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [1,0,0,0,0,1|2,0,0]=4 52 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [1,0,0,0,0,1|2,0,0]=4