0 B9R1.6 CC(=O)C1=NC=CN=C1 PS-5458 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 N=C(N)C1=CC=CC=C1 BS-3865 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 NC(=O)C1=CC=CC=C1 DS-17194 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 NC(=O)C1=CC=CN=C1 AS-13845 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.6 NC(=O)C1=NC=CC=C1 GS-6464 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 NC(=O)C1=NC=CN=C1 TS-01626 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 NC(=S)C1=CC=NC=C1 BS-11860 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.6 O=C(O)C1=CC=CN=C1 PS-4255 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 O=C(O)C1=NC=CC=C1 PS-4253 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 NC1=CC=C(C(=O)O)C=C1 AS-12493 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 O=C(O)C1=CC=C(O)C=C1 STR01287 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 O=C(O)C1=NC=C(O)N=C1 TS-00040 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BS-3788 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.15 COC(=O)C1=CC=CC=N1 GS-3031 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.15 COC(=O)C1=CN=CC=C1 GS-3032 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.15 O=CC(=O)C1=CC=CC=C1 FS-4230 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 4C-038 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.61 CC(=O)C1=C(O)C=CC=C1 PS-3396 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.61 CC1=C(C(=O)O)C=CC=C1 AS-10809 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.61 O=C(O)C1=C(O)C=CC=C1 TS-03583 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.61 O=C(O)C1=C(O)C=CC=N1 PS-3718 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 AS-58723 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.113 NC(=O)C1=CC(N)=CC=C1 AS-17352 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 AS-40816 [0,1,0,0,0,0|0,0,1]=2 24 B10R1.113 O=C(O)C1=CN(=O)=CC=C1 AS-57680 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.7 O=C(O)C1=CC=CO1 PS-3380 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.7 O=C(O)C1=COC=C1 PS-4247 [0,0,0,0,1,0|2,0,0]=3 27 B10R1.18 CC(=O)NC1=CC=CC=C1 AS-13389 [0,0,0,0,0,1|2,0,0]=3 28 B7R0.4 C\C=C\C=C\C(=O)O STR09707 [1,0,1,0,0,0|1,0,1]=4 29 B9R1.1 O=CC1=CC=C(O)C=C1 PS-3635 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.41 NC(=O)C1=C(N)NC=N1 AS-12404 [0,1,0,0,1,0|1,0,0]=3 31 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 AS-11744 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 PS-4663 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AS-11992 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 KS-1423 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 STR08136 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 FS-2587 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 AS-13170 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 AS-13239 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.21 CC1=CC(C(=O)O)=CC=C1O FS-1545 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.21 CN1C=C(C(=O)O)C=CC1=O BS-13479 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 FS-2435 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 AS-10808 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AS-12055 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 GS-3432 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 FS-3456 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 FS-1791 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 AS-11043 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 AS-11771 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 AS-56163 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 STR03450 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.166 O=C(O)C1=CC=C(O)C=C1O DS-18507 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.16 O=C(NCO)C1=CC=CN=C1 AS-59855 [0,2,0,0,0,0|0,0,0]=2 53 B11R1.222 COC(=O)C1=NC=CN=C1N PS-5260 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.87 NC1=C(S(N)(=O)=O)C=CC=C1 PS-4507 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.53 COC1=C(C(=O)O)C=CC=C1 PS-5405 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.156 O=C(O)C1=C(O)C=CC=C1O STR05041 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.159 CC1=CC=CC(C(=O)O)=C1O FS-3191 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.159 NC1=C(O)C=CC=C1C(=O)O GS-4375 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 PS-3013 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 FS-3211 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.167 NC(=O)C1=NC(F)=CN=C1O MS-20791 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 HS-0100 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 PS-4051 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.266 COC1=CC=CC(C(=O)O)=C1 BS-3836 [0,2,0,0,0,0|2,0,0]=4 65 B11R2.1 O=C1CCC2=C1C=CC=C2 PS-5770 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.91 CC(=O)CCC1=CC=CC=C1 AS-54099 [0,0,0,0,0,2|2,0,0]=4 67 B11R1.91 O=C(O)CCC1=CC=CC=C1 BS-3829 [0,0,0,0,0,2|2,0,0]=4