0 B10R1.13 CN(C)C1=CC=C(O)C=C1 D07852 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.1 COC1=CC=C(O)C=C1 D04926 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [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|0,0,0]=1 8 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [1,0,0,0,0,0|0,0,1]=2 10 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [1,0,0,0,0,0|0,0,1]=2 11 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 D07568 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D07157 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.19 NC1=CC=C(S(=O)(=O)[O-])C=C1 D05950 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 D08543 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 D02988 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.19 O=S(=O)(O)C1=CC=C(O)C=C1 D01403 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 D07190 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.22 COC(=O)C1=CC=C(O)C=C1 D01400 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 D02458 [0,1,0,0,0,0|0,0,1]=2 21 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 D00162 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 D00875 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D01643 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D03368 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [0,0,0,0,0,1|1,0,0]=2 27 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [0,0,0,0,0,1|2,0,1]=4 28 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|0,0,0]=2 29 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|0,0,1]=3 30 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.3 OC1=CC=C(Cl)C=C1 D00149 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.3 OC1=CC=C(O)C=C1 D00073 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.15 NNC(=O)C1=CC=NC=C1 D00346 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [1,1,0,0,0,0|0,0,1]=3 45 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [1,1,0,0,0,0|0,0,1]=3 47 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [1,1,0,0,0,0|0,0,1]=3 48 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 D05292 [0,1,0,0,0,1|0,0,0]=2 49 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 D09794 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D00076 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D05206 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D08284 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 D00552 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 D01647 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.16 CCOC(=O)C1=CC=C([O-])C=C1 D10929 [0,2,0,0,0,0|0,0,1]=3 56 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D07148 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08308 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08309 [0,2,0,0,0,0|1,0,1]=4 59 B12R2.606 O=C1OC2=CC(O)=CC=C2S1 D07211 [0,0,0,1,0,1|0,0,0]=2 60 B12R2.606 OC1=NC2=C(C=CC(Cl)=C2)O1 D00771 [0,0,0,1,0,1|2,0,0]=4 61 B12R2.612 O=C1NSC2=CC(Cl)=CC=C12 D06139 [0,1,0,1,0,0|1,1,0]=4 62 B8R1.7 O=C(O)C1=CC=CS1 D08568 [1,0,0,0,1,0|1,0,0]=3 63 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [1,0,0,0,0,1|0,0,0]=2 64 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [1,0,0,0,0,1|0,0,1]=3