0 B10R1.13 NC1=CC=C(C(=O)O)C=C1 AS-12493 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.13 O=C(O)C1=CC=C(O)C=C1 STR01287 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.13 O=C(O)C1=NC=C(O)N=C1 TS-00040 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BS-3788 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.1 CCC1=CC=C(O)C=C1 BS-14729 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.1 O=CC1=CC=C(O)C=C1 PS-3635 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.1 OCC1=CC=C(O)C=C1 PS-3494 [1,0,0,0,0,0|0,0,1]=2 7 B9R1.6 CC(=O)C1=NC=CN=C1 PS-5458 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 N=C(N)C1=CC=CC=C1 BS-3865 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 NC(=O)C1=CC=CC=C1 DS-17194 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 NC(=O)C1=CC=CN=C1 AS-13845 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 NC(=O)C1=NC=CC=C1 GS-6464 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 NC(=O)C1=NC=CN=C1 TS-01626 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 NC(=S)C1=CC=NC=C1 BS-11860 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.6 O=C(O)C1=CC=CN=C1 PS-4255 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 O=C(O)C1=NC=CC=C1 PS-4253 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 AS-13170 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 AS-13239 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.21 CC1=CC(C(=O)O)=CC=C1O FS-1545 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] AS-15565 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.21 CN1C=C(C(=O)O)C=CC1=O BS-13479 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 FS-2435 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 AS-10808 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AS-12055 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AS-14837 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 GS-3432 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 FS-3456 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 FS-1791 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 AS-11043 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 AS-11771 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 AS-56163 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 STR03450 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.166 O=C(O)C1=CC=C(O)C=C1O DS-18507 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.1 OCCC1=CC=C(O)C=C1 KS-5274 [1,1,0,0,0,0|0,0,1]=3 34 B10R1.3 COC1=CC=C(C=O)C=C1 CS-11005 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 PS-5315 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.176 O=C1C=C(CO)OC=C1O AS-11648 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.176 O=CC1=CC(O)=C(O)C=C1 PS-5533 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.15 COC(=O)C1=CC=CC=N1 GS-3031 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 COC(=O)C1=CN=CC=C1 GS-3032 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.15 O=CC(=O)C1=CC=CC=C1 FS-4230 [1,1,0,0,0,0|0,0,1]=3 41 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 4C-038 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.61 CC(=O)C1=C(O)C=CC=C1 PS-3396 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.61 CC1=C(C(=O)O)C=CC=C1 AS-10809 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.61 O=C(O)C1=C(O)C=CC=C1 TS-03583 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.61 O=C(O)C1=C(O)C=CC=N1 PS-3718 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 AS-58723 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.113 NC(=O)C1=CC(N)=CC=C1 AS-17352 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 AS-40816 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 O=C(O)C1=CN(=O)=CC=C1 AS-57680 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.31 O=C(O)C1=CC=C(CO)O1 AS-18462 [0,1,0,0,1,0|1,0,0]=3 51 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 PS-3381 [0,1,0,0,0,1|0,0,0]=2 52 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 STR00973 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 GS-3245 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 STR02759 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 AS-15489 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 STR02334 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.56 COC1=CC(C(C)=O)=CC=C1O FS-3673 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 TS-02273 [0,2,0,0,0,0|0,0,0]=2 59 B12R1.893 O=C(O)C1=CC=C(O)C(O)=C1O AS-8189 [0,2,0,0,0,0|0,0,0]=2 60 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 PS-8710 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 STR01509 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 AS-11988 [0,2,0,0,0,0|0,0,0]=2 63 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 HG-0202 [0,0,0,1,0,1|2,0,0]=4 64 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 VS-08561 [0,0,0,1,0,1|0,0,0]=2 65 B8R1.1 CC1=CC=C(C=O)O1 STR02593 [1,0,0,0,1,0|2,0,0]=4 66 B8R1.7 O=C(O)C1=CC=CO1 PS-3380 [1,0,0,0,1,0|1,0,0]=3 67 B8R1.7 O=C(O)C1=COC=C1 PS-4247 [1,0,0,0,1,0|1,0,0]=3 68 B10R1.18 CC(=O)NC1=CC=CC=C1 AS-13389 [1,0,0,0,0,1|1,0,0]=3 69 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 PS-4612 [0,0,0,0,0,2|1,0,0]=3 70 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 PS-5760 [0,0,0,0,0,2|0,0,0]=2 71 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AS-12000 [0,0,0,0,0,2|0,0,0]=2 72 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 STR06515 [0,0,0,0,0,2|0,0,0]=2