0 B10R1.61 CC(=O)C1=C(O)C=CC=C1 PS-3396 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 CC1=C(C(=O)O)C=CC=C1 AS-10809 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.61 O=C(O)C1=C(O)C=CC=C1 TS-03583 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.61 O=C(O)C1=C(O)C=CC=N1 PS-3718 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 CC(=O)C1=NC=CN=C1 PS-5458 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.6 N=C(N)C1=CC=CC=C1 BS-3865 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 NC(=O)C1=CC=CC=C1 DS-17194 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 NC(=O)C1=CC=CN=C1 AS-13845 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 NC(=O)C1=NC=CC=C1 GS-6464 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 NC(=O)C1=NC=CN=C1 TS-01626 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 NC(=S)C1=CC=NC=C1 BS-11860 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.6 O=C(O)C1=CC=CN=C1 PS-4255 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 O=C(O)C1=NC=CC=C1 PS-4253 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.15 COC1=CC=CC=C1O PS-3252 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 OCC1=CC=CC=C1O BS-3756 [1,0,0,0,0,0|0,0,1]=2 15 B11R1.53 COC1=C(C(=O)O)C=CC=C1 PS-5405 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.87 NC1=C(S(N)(=O)=O)C=CC=C1 PS-4507 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.156 O=C(O)C1=C(O)C=CC=C1O STR05041 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.159 CC1=CC=CC(C(=O)O)=C1O FS-3191 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.159 NC1=C(O)C=CC=C1C(=O)O GS-4375 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 PS-3013 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 FS-3456 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 FS-1791 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 KS-5170 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 AS-11043 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 AS-11771 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 AS-56163 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 STR03450 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.166 O=C(O)C1=CC=C(O)C=C1O DS-18507 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 FS-3211 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.167 NC(=O)C1=NC(F)=CN=C1O MS-20791 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 HS-0100 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.222 COC(=O)C1=NC=CN=C1N PS-5260 [0,1,0,0,0,0|3,0,0]=4 33 B11R2.1 O=C1CCC2=C1C=CC=C2 PS-5770 [0,0,0,1,0,0|2,0,0]=3 34 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 FS-2587 [0,0,0,0,0,1|0,0,0]=1 35 B10R1.13 NC1=CC=C(C(=O)O)C=C1 AS-12493 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.13 O=C(O)C1=CC=C(O)C=C1 STR01287 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.13 O=C(O)C1=NC=C(O)N=C1 TS-00040 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BS-3788 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 COC(=O)C1=CC=CC=N1 GS-3031 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.15 COC(=O)C1=CN=CC=C1 GS-3032 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.15 O=CC(=O)C1=CC=CC=C1 FS-4230 [1,1,0,0,0,0|0,0,1]=3 42 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 4C-038 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 AS-58723 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.113 NC(=O)C1=CC(N)=CC=C1 AS-17352 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 AS-40816 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.113 O=C(O)C1=CN(=O)=CC=C1 AS-57680 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 AS-13850 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 KS-5324 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 PS-5315 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O STR06656 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.283 CCOC1=C(C(N)=O)C=CC=C1 KS-5320 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.128 O=S(=O)(O)C1=CC(O)=CC=C1O KS-1169 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.128 O=S(=O)([O-])C1=CC(O)=CC=C1O AS-13280 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.893 O=C(O)C1=CC=C(O)C(O)=C1O AS-8189 [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 B10R1.66 O=C(O)\C=C\C1=CN=CN1 HS-0075 [0,0,1,1,0,0|2,0,0]=4 57 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CR-0048 [0,0,0,1,0,1|2,0,0]=4 58 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 VS-08570 [0,0,0,1,0,1|2,0,0]=4 59 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HR-0304 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 GS-6917 [0,1,0,1,0,0|2,0,0]=4 61 B12R2.1081 OC1=NC=NC2=CC=CC=C21 STR01100 [0,1,0,1,0,0|2,0,0]=4 62 B12R2.1 OCC1=CNC2=C1C=CC=C2 GS-0916 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.7 O=C(O)C1=CC=CO1 PS-3380 [1,0,0,0,1,0|1,0,0]=3 64 B8R1.7 O=C(O)C1=COC=C1 PS-4247 [1,0,0,0,1,0|1,0,0]=3