0 B11R1.41 COC1=C(CC#N)C=CC=C1 AK-087/40365554 [1,0,0,0,0,0|1,0,2]=4 1 B13R1.90 COC1=C(CSC(=N)N)C=CC=C1 AL-398/40407303 [0,1,0,0,0,0|2,0,1]=4 2 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 AC-907/25014253 [0,1,0,0,0,0|1,0,1]=3 3 B13R1.90 COC1=CC=CC=C1CCC(=O)O AT-051/43422775 [0,1,0,0,0,0|0,0,2]=3 4 B13R1.90 N#CC1=C(\C=C\C(=O)O)C=CC=C1 AE-562/43458837 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.32 CC1=C(C)C2=CC=CN=C2C=C1 AO-801/41077378 [0,0,0,1,0,0|3,0,0]=4 6 B13R2.32 CN1C(=N)C=CC2=C1C=CC=C2 AC-907/34123035 [0,0,0,1,0,0|2,0,0]=3 7 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 AO-840/40233519 [0,0,0,1,0,0|1,0,0]=2 8 B13R2.32 CN1C(=O)C=NC2=C1C=CC=C2 AK-830/25033058 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.32 C[N+]1=C2C=CC=CC2=CC=C1N AC-907/25005040 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.32 OC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/30106059 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 AE-848/32008024 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.57 N#CC1=CC2=C(C=CC=C2)OC1 AE-477/40406219 [0,0,0,1,0,0|1,0,1]=3 13 B13R2.1613 COC1=C2C=NC=CC2=CC=C1 AN-584/42206184 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.1613 CSC1=CC=CC2=[N+]1C=CC=C2 AO-840/42717854 [0,0,0,1,0,0|2,1,0]=4 15 B10R1.4 CC1=C(NC=O)C=CC=C1 AB-131/41338123 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 AO-840/40184794 [1,1,0,0,0,0|0,0,0]=2 17 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [1,1,0,0,0,0|0,0,2]=4 18 B12R1.125 CC1=CC=CC=C1NCC(=O)O AE-562/33905058 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.125 CC1=CC=CC=C1OCC(=O)O AC-907/25014252 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O AI-942/25034752 [1,1,0,0,0,0|0,0,0]=2 21 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1Cl AE-641/01171033 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.75 CCC1=C(NC(N)=O)C=CC=C1 AR-360/42570316 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.75 CCC1=CC=CC=C1NC(C)=O AE-562/40326597 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.75 COC1=CC=CC=C1NC(C)=O AE-641/00783050 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.75 COC1=CC=CC=C1NC(N)=O AR-360/40768909 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.75 CSC1=C(NC(N)=O)C=CC=C1 AK-830/25033046 [1,1,0,0,0,0|1,1,0]=4 27 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 AE-562/40238261 [1,1,0,0,0,0|1,0,1]=4 28 B14R1.1600 COC1=C(OCC(N)=O)C=CC(N)=C1 AO-080/43378753 [0,2,0,0,0,0|1,0,1]=4 29 B14R1.3135 COC1=CC=CC=C1OC(C)C(=O)O AN-329/13156511 [0,2,0,0,0,0|1,0,1]=4 30 B14R1.4522 NC(=O)\C=C\C1=C([N+](=O)[O-])C=CC=C1 AE-562/41844669 [0,2,0,0,0,0|2,0,0]=4 31 B14R1.4522 O=C(O)\C=C\C1=C(C(=O)O)C=CC=C1 AE-641/01932048 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.450 COC1=CC(O)=C(C=O)C=C1Br AE-848/30539042 [0,0,1,1,0,0|2,0,0]=4 33 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 AK-087/40243220 [0,0,1,1,0,0|1,0,1]=4 34 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 AC-907/25004859 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AH-034/32825008 [1,0,0,1,0,0|2,0,0]=4 36 B12R2.24 NC1=CC=C2C=CC=CC2=N1 AC-907/25014242 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-907/25014359 [1,0,0,1,0,0|1,0,0]=3 38 B12R2.24 O=C1C=CN2C=CC=CC2=C1 AC-907/25004896 [1,0,0,1,0,0|1,0,1]=4 39 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AB-131/40299865 [1,0,0,1,0,0|0,0,2]=4 40 B12R2.24 SC1=CC=C2C=CC=CC2=C1 AQ-917/40186368 [1,0,0,1,0,0|0,1,1]=4 41 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 AN-970/40920420 [1,0,0,1,0,0|1,0,0]=3 42 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 AI-942/25034639 [1,0,0,1,0,0|0,1,0]=3 43 B12R2.32 O=CC1=CN2C=CC=CC2=N1 AN-584/40632290 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 AC-907/25004860 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.1081 CC1=CC=CC2=CC=CN=C12 AC-907/25014270 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 AC-907/25004895 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 AO-801/41077389 [1,0,0,1,0,0|1,0,0]=3 48 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 AB-131/40232333 [1,0,0,1,0,0|1,0,0]=3 49 B12R2.1081 OC1=CC=CC2=CC=CN=C12 AP-065/40180076 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.1081 OC1=NC=CC2=C1C=CC=C2 AE-842/31875012 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.1 O=CC1=CNC2=C1C=CC=C2 AG-205/01412034 [1,0,0,1,0,0|1,0,1]=4 52 B14R2.1146 COC1=CC(O)=NC2=C1C=CC=C2 AE-562/12222666 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.92 O=CC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/03232057 [0,1,0,1,0,0|1,0,1]=4 54 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 AE-508/09521058 [0,1,0,1,0,0|1,0,1]=4 55 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)S1 AN-584/43484539 [0,1,0,1,0,0|2,0,0]=4 56 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 AE-641/04610051 [0,1,0,1,0,0|2,0,0]=4 57 B14R2.450 CC1=C(C(=O)O)SC2=C1C=CC=C2 AA-516/30012009 [0,1,0,1,0,0|2,0,0]=4 58 B14R2.450 CN1C(C(N)=O)=CC2=CC=CC=C21 AQ-776/42801351 [0,1,0,1,0,0|1,0,0]=3 59 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 AC-907/25014303 [0,1,0,1,0,0|1,0,1]=4 60 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 AE-508/40228340 [0,1,0,1,0,0|1,0,1]=4 61 B14R2.8188 CC1=C(C)C2=CC=CC=C2C=C1O AP-406/42800539 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.7150 CSCC1=CC=CC2=CC=CC=C21 AQ-917/42754694 [0,1,0,1,0,0|1,1,0]=4 63 B14R2.7150 OCCC1=CC=CC2=C1C=CC=C2 AQ-917/40233986 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.11635 CNC1=CC=CC2=CC=CC(N)=C21 AN-584/43485238 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.203 CC1=CC=C2C=CC=CC2=C1CCl AB-131/40897096 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 AB-131/42300975 [0,1,0,1,0,0|1,0,1]=4 67 B14R2.29369 O=C1C=CC2=C(C=CC(Br)=C2)C1=O CS-004/04003052 [0,1,0,1,0,0|2,0,0]=4