0 B12R1.286 COC1=C(O)C=CC(\C=N\O)=C1 7020542821 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.189 CNCC1=CC(OC)=CC=C1 1268217 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.189 COC1=CC=CC(CC#N)=C1 1287078 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC=CC(N=C=O)=C1 1055589 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 3353953 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.280 CCC1=C(C)C=CC(C=O)=C1 6641589 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.280 COC1=CC(C#N)=CC=C1Cl 5812244 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.280 COC1=CC(C=O)=CC=C1O 0109160039 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.280 COC1=CC(OC)=C(N)C=C1 1507074 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 2924505 [0,1,0,0,0,0|1,0,2]=4 10 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 1567312 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 1038636 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.386 COC1=CC=C(N=C=O)C=C1OC 1055596 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.575 COC1=CC(\C=C\C#N)=CC=C1O 7016234004 [0,1,0,0,0,0|0,0,2]=3 14 B13R1.4030 COC1=C(O)C(Br)=CC(\C=N\O)=C1 7018822407 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 7020694245 [0,0,0,1,0,0|1,0,1]=3 16 B13R2.449 NCCC1=CC=C2OCOC2=C1 7020694268 [0,0,0,1,0,0|1,0,1]=3 17 B13R2.449 O=C=NC1=CC2=C(C=C1)OCO2 1055604 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.10 CC1=CC=CC(CC#N)=C1 1287074 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.172 COC1=CC=CC(C#N)=C1 1778846 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.172 COC1=CC=CC(C=O)=C1 1180630 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.172 COC1=CC=CC(CCl)=C1 1779497 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.172 COC1=CC=CC(OC)=C1 2827240 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [2,0,0,0,0,0|0,0,2]=4 28 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.176 CC1=CC(N=O)=CC=C1O 1023286 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 O=CC1=CC=C(O)C(Cl)=C1 7116564493 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.176 O=CC1=CC=C(O)C(O)=C1 7015151002 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.30 CC1=CC=C(O)C(C=O)=C1 1156694 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.30 CCC1=CC(Br)=CC=C1O 7020688456 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.30 COC1=C(C)C=CC(F)=C1 5042942 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 COC1=C(N)C=CC(C)=C1 1366673 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.30 COC1=C(O)C=CC(C)=C1 2827243 [2,0,0,0,0,0|0,0,0]=2 37 B10R1.30 COC1=CC(N)=CC=C1Cl 1902326 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.270 C=CCC1=C(O)C=CC(OC)=C1 1392493 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.280 C=CCC1=C(O)C(C=O)=CC=C1 3671764 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.280 C=CCC1=CC=CC(OC)=C1O 7118560687 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.382 COC1=CC(CCC#N)=CC=C1 1512397 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.382 COC1=CC(OCCN)=CC=C1 7020330483 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.382 COC1=CC=CC(CCCBr)=C1 1275160 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.382 COC1=CC=CC(CCCN)=C1 1038715 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.382 COC1=CC=CC(CCCO)=C1 1204353 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.382 COC1=CC=CC(OCC#N)=C1 7020687422 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.435 COC1=CC=CC(C(O)CN)=C1 1055867 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 22588261 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 7020330567 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.19 CC1=CC(CC(=O)O)=CC=C1F 1312887 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C 7020410111 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.19 NC1=C(O)C=CC(CC(=O)O)=C1 3673138 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 12482597 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.1123 CC1=CC(O)=C(O)C=C1CCN 4675078 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.56 COC1=C(Cl)C=CC(C(N)=S)=C1 4859660 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.78 CNC1=CC(OC)=C(OC)C=C1 1367347 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 1180632 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.78 COC1=C(OC)C=C(CO)C=C1 1780297 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.78 COC1=C(OC)C=C(CS)C=C1 1974792 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.78 COC1=CC(OC)=C(OC)C=C1 8563103 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.78 COC1=CC=C(C#N)C=C1OC 1284733 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 7018801950 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 7020410012 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.300 COC1=CC(C=O)=CC(I)=C1O 0107930009 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.453 CCC1=CC=C(O)C(C(C)=O)=C1 1779968 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.1864 COC1=C(OC)C=C(C(O)CN)C=C1 1055879 [0,2,0,0,0,0|1,0,1]=4 67 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 1976032 [0,2,0,0,0,0|1,0,0]=3 68 B14R1.3651 COC1=CC=C(CC(=O)O)C=C1OC 7020330571 [0,2,0,0,0,0|1,0,0]=3 69 B14R1.793 COC1=C(OC)C=C(NCCN)C=C1 1142662 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.10285 COC1=C(OC)C(C)=C(CCN)C=C1 3683807 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.14946 COC1=C(OC)C=C(CC#N)C(C)=C1 4196244 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.14946 COC1=C(OC)C=C(CC#N)C(N)=C1 3682334 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.14946 COC1=C(OC)C=C(CCN)C(C)=C1 4249162 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.42 COC1=C(O)C=CC(\C=C\C(N)=O)=C1 12481909 [0,2,0,0,0,0|0,0,1]=3 75 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O 7016261120 [0,2,0,0,0,0|0,0,1]=3 76 B14R1.42 COC1=CC(\C=C\[N+](=O)[O-])=CC=C1O 0107930017 [0,2,0,0,0,0|1,0,1]=4 77 B12R2.44 COC1=CC2=C(C=C1)SC=N2 5023581 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.44 COC1=CC=C2N=CNC2=C1 1088555 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.44 COC1=CC=C2NC=CC2=C1 1270757 [1,0,0,1,0,0|1,0,1]=4 80 B12R2.44 COC1=CC=C2NC=NC2=C1 1088556 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.315 COC1=CC=CC2=C1NC=C2 4247506 [1,0,0,1,0,0|1,0,1]=4 82 B12R2.100 CC1=CC2=C(C=CN2)C=C1N 4057863 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.1008 NC(=S)NC1=CC=C2OCOC2=C1 1321478 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 3676748 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.112 NCCC1=CC=C2OCCOC2=C1 1038637 [0,1,0,1,0,0|1,0,1]=4 86 B14R2.112 OCCC1=CC2=C(C=C1)OCCO2 1204403 [0,1,0,1,0,0|1,0,1]=4 87 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 7020542486 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.82 COC1=CC2=C(C=C1OC)NCC2 3356402 [0,1,0,1,0,0|1,0,1]=4 89 B14R2.991 NCCCC1=CC2=C(C=C1)OCO2 1038729 [0,1,0,1,0,0|0,0,2]=4