0 B9R1.6 CC(=O)C1=NC=CN=C1 PS-5458 [0,0,0,0,0,0|3,0,0]=3 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|2,0,0]=2 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|3,0,0]=3 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|1,0,0]=1 9 B10R1.13 NC1=CC=C(C(=O)O)C=C1 AS-12493 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.13 O=C(O)C1=CC=C(O)C=C1 STR01287 [0,1,0,0,0,0|0,0,0]=1 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|1,0,0]=2 13 B10R1.15 COC(=O)C1=CC=CC=N1 GS-3031 [0,1,0,0,0,0|1,0,0]=2 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|0,0,1]=2 16 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 4C-038 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.61 CC(=O)C1=C(O)C=CC=C1 PS-3396 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.61 CC1=C(C(=O)O)C=CC=C1 AS-10809 [0,1,0,0,0,0|0,0,0]=1 19 B10R1.61 O=C(O)C1=C(O)C=CC=C1 TS-03583 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.61 O=C(O)C1=C(O)C=CC=N1 PS-3718 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 AS-58723 [0,1,0,0,0,0|1,0,0]=2 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|2,0,0]=3 24 B10R1.113 O=C(O)C1=CN(=O)=CC=C1 AS-57680 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.7 O=C(O)C1=CC=CO1 PS-3380 [0,0,0,0,1,0|1,0,0]=2 26 B8R1.7 O=C(O)C1=COC=C1 PS-4247 [0,0,0,0,1,0|1,0,0]=2 27 B10R1.18 CC(=O)NC1=CC=CC=C1 AS-13389 [0,0,0,0,0,1|1,0,0]=2 28 B7R0.4 C\C=C\C=C\C(=O)O STR09707 [1,0,1,0,0,0|0,0,1]=3 29 B9R0.55 O=C(O)\C=C/C=C\C(=O)O DS-7334 [0,1,1,0,0,0|1,0,0]=3 30 B9R1.1 CCC1=CC=C(O)C=C1 BS-14729 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.1 O=CC1=CC=C(O)C=C1 PS-3635 [1,1,0,0,0,0|0,0,0]=2 32 B9R1.1 OCC1=CC=C(O)C=C1 PS-3494 [1,1,0,0,0,0|0,0,1]=3 33 B9R1.15 COC1=CC=CC=C1O PS-3252 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.15 OCC1=CC=CC=C1O BS-3756 [1,1,0,0,0,0|0,0,1]=3 35 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 AS-11744 [0,1,0,0,0,1|1,0,0]=3 36 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 PS-4663 [0,1,0,0,0,1|0,0,0]=2 37 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AS-11992 [0,1,0,0,0,1|0,0,0]=2 38 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 KS-1423 [0,1,0,0,0,1|0,0,0]=2 39 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 STR08136 [0,1,0,0,0,1|0,0,0]=2 40 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 FS-2587 [0,1,0,0,0,1|0,0,0]=2 41 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 AS-13170 [0,2,0,0,0,0|0,0,0]=2 42 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 AS-13239 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.21 CC1=CC(C(=O)O)=CC=C1O FS-1545 [0,2,0,0,0,0|0,0,0]=2 44 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] AS-15565 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.21 CN1C=C(C(=O)O)C=CC1=O BS-13479 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 FS-2435 [0,2,0,0,0,0|0,0,0]=2 47 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 AS-10808 [0,2,0,0,0,0|0,0,0]=2 48 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AS-12055 [0,2,0,0,0,0|1,0,0]=3 49 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AS-14837 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 GS-3432 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 FS-3456 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 FS-1791 [0,2,0,0,0,0|0,0,0]=2 53 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 AS-11043 [0,2,0,0,0,0|0,0,0]=2 54 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 AS-11771 [0,2,0,0,0,0|0,0,1]=3 55 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 AS-56163 [0,2,0,0,0,0|0,0,0]=2 56 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 STR03450 [0,2,0,0,0,0|0,0,0]=2 57 B11R1.166 O=C(O)C1=CC=C(O)C=C1O DS-18507 [0,2,0,0,0,0|0,0,0]=2 58 B11R1.16 O=C(NCO)C1=CC=CN=C1 AS-59855 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.222 COC(=O)C1=NC=CN=C1N PS-5260 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.87 NC1=C(S(N)(=O)=O)C=CC=C1 PS-4507 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.53 COC1=C(C(=O)O)C=CC=C1 PS-5405 [0,2,0,0,0,0|0,0,0]=2 62 B11R1.156 O=C(O)C1=C(O)C=CC=C1O STR05041 [0,2,0,0,0,0|0,0,0]=2 63 B11R1.159 CC1=CC=CC(C(=O)O)=C1O FS-3191 [0,2,0,0,0,0|0,0,0]=2 64 B11R1.159 NC1=C(O)C=CC=C1C(=O)O GS-4375 [0,2,0,0,0,0|0,0,0]=2 65 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 PS-3013 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 FS-3211 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 HS-0100 [0,2,0,0,0,0|0,0,0]=2 68 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 PS-4051 [0,2,0,0,0,0|0,0,0]=2 69 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 TS-00078 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.266 COC1=CC=CC(C(=O)O)=C1 BS-3836 [0,2,0,0,0,0|0,0,0]=2 71 B9R1.5 O=C1C=CC=CC=C1O AS-14018 [0,0,1,1,0,0|2,0,0]=4 72 B11R2.1 O=C1CCC2=C1C=CC=C2 PS-5770 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.91 CC(=O)CCC1=CC=CC=C1 AS-54099 [0,0,0,0,0,2|1,0,0]=3 74 B11R1.91 O=C(O)CCC1=CC=CC=C1 BS-3829 [0,0,0,0,0,2|0,0,0]=2