0 B11R1.83 COC1=CC=C([Se]C#N)C=C1 AI-942/25034518 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 COC1=CC=C(\C=N/O)C=C1 AG-777/25006430 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.1 CC1=CC=C(NC=O)C=C1 AR-360/41338148 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.1 CC1=CC=C([Se]C#N)C=C1 AI-942/25034525 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 N#CCC1=CC=C(O)C=C1 AE-562/40164564 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.1 N#CSC1=CC=C(O)C=C1 AJ-087/25124022 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.1 O=CNC1=CC=C(Br)C=C1 AE-641/02550056 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.1 O=CNC1=CC=C(Cl)C=C1 AR-360/41301998 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.1 O\N=C\C1=CC=C(O)C=C1 AF-753/00286030 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.3 COC1=CC=C(C=S)C=C1 AB-131/40897145 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.3 COC1=NN=C(OC)C=C1 AC-907/25004577 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 AQ-917/40174211 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 AE-562/43460092 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 AE-562/40223956 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 AE-641/00642037 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 AE-641/30147012 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 AN-584/40897181 [0,1,0,0,0,0|1,1,1]=4 18 B12R1.5 CCC(=O)C1=CC=C(CBr)C=C1 AR-527/43405036 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 AB-131/40236160 [0,1,0,0,0,0|0,0,1]=2 20 B12R1.5 CCC(=O)C1=CC=C(SC)C=C1 AQ-917/42754488 [0,1,0,0,0,0|0,1,1]=3 21 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 AP-065/34563049 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 AC-907/25014377 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 AQ-917/40232598 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 AQ-917/42754012 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.5 COC1=CC=C(C(=S)SC)C=C1 AB-131/42300886 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.5 COC1=CC=C(\C(C)=N/O)C=C1 AN-308/25123014 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.71 COC1=CC=C(OCCBr)C=C1 AH-481/02707035 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.113 CC(=O)C1=CC=C(NC=O)C=C1 AE-562/41459837 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.113 CN(C)C1=CC=C(NC=O)C=C1 AE-562/40277803 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.44 COC1=CC2=C(C=C1)NC=C2 AB-337/25021007 [0,0,0,1,0,0|1,0,1]=3 31 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AQ-776/40228276 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.1 CCC1=CC=C(C)N=C1 AC-907/25014214 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.1 COC1=CC=C(Br)C=N1 AC-907/25004518 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 COC1=CC=C(N)C=C1 AC-907/25014180 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 COC1=CC=C(N)C=N1 AO-080/40859930 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.1 O=CC1=CC=C(Br)C=C1 AB-131/40654019 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 O=CC1=CC=C(O)C=C1 AB-131/40191192 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.1 C=CCOC1=CC=C(O)C=C1 AK-087/42718133 [1,1,0,0,0,0|0,0,2]=4 40 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 AG-205/03191041 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 AH-034/32844007 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.20 CC(=O)NC1=CC=C(C)C=N1 AI-942/25034577 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 AE-562/40197438 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AH-034/05420003 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 AC-509/25002068 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.20 CC1=CC=C(OC(N)=S)C=C1 AL-398/25017029 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 AM-814/41090691 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 AH-034/32461042 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 AE-641/00195035 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AF-676/00077028 [1,1,0,0,0,0|0,0,1]=3 51 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AB-131/40218986 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AE-848/32195053 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 AE-848/00864037 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.81 CC1=CC(Br)=C(NC=O)C=C1 AJ-804/11075011 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.192 CCNC1=CC=C(O)C(O)=C1 AN-308/25123001 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 AE-562/40237167 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 AE-641/00011036 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 AG-205/03202034 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.3 COC1=CC=C(C(=O)O)C=C1 AE-848/32075009 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.3 COC1=CC=C(C(=O)O)N=C1 AE-562/43286910 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.3 COC1=CC=C(C(C)=O)C=C1 AB-131/40174083 [1,1,0,0,0,0|0,0,0]=2 62 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 AE-562/40237372 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 AB-131/40227350 [1,1,0,0,0,0|0,1,0]=3 64 B11R1.279 CNC1=C(Br)C=C(C=O)C=C1 AT-051/43421254 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.279 CNC1=C(Cl)C=C(C=O)C=C1 AT-051/43421150 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.279 CNC1=C(I)C=C(C=O)C=C1 AT-051/43421255 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.279 COC1=CC(C)=C(C=S)C=C1 AB-131/42300946 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 AE-508/43282304 [0,2,0,0,0,0|1,0,1]=4 69 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 AE-848/04969036 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 AB-016/30007006 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.95 CCC(=O)C1=C(O)C=C(OC)C=C1 AP-065/41884142 [0,2,0,0,0,0|0,0,1]=3 72 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 AQ-917/41339256 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.452 COC1=CC=C(C(=O)\C=N/O)C=C1 AO-040/41077091 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.3088 CNC(=O)C1=CC=C(OC)C(Br)=C1 AN-329/43385915 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.3088 COC(=O)C1=CC=C(OC)C(Cl)=C1 AQ-358/43417406 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.3088 COC(=O)C1=CC=C(OC)C(I)=N1 AN-584/43457644 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.3088 COC(=O)C1=NC(Br)=C(OC)C=C1 AR-011/11459310 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 AF-399/33330033 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 AC-907/25014254 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 AE-641/00135031 [0,2,0,0,0,0|0,0,1]=3 81 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 AF-962/00512033 [0,2,0,0,0,0|0,0,0]=2 82 B13R1.3 COC1=CC=C(\C=C\S(C)=O)C=C1 AK-823/41252408 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 AA-768/25019001 [0,2,0,0,0,0|0,1,1]=4 84 B13R1.371 COC1=CC=C(CCCCO)C=C1 AN-584/43485240 [0,2,0,0,0,0|0,0,2]=4 85 B13R1.371 COC1=CC=C(NCCC#N)C=C1 AE-562/41428891 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.3945 COC1=CC(C)=C(\C=N\O)C(C)=C1 AB-131/42300994 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 AE-641/00784022 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 AN-829/05700007 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 AT-051/40178783 [0,1,0,1,0,0|0,0,1]=3 90 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 AM-807/25099016 [0,1,0,1,0,0|1,0,1]=4 91 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=C2 AN-068/25067015 [0,1,0,1,0,0|1,0,1]=4 92 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [0,1,0,1,0,0|0,0,1]=3 93 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [0,1,0,1,0,0|0,1,1]=4 94 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 AT-051/43421128 [0,1,0,1,0,0|1,0,1]=4 95 B13R2.654 COC1=CC2=C(N=CS2)C(N)=C1 AN-970/40920532 [0,1,0,1,0,0|2,0,0]=4