0 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.189 CNCC1=CC(OC)=CC=C1 4004535 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.189 CNCC1=CC(OC)=CC=C1 4087815 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 CNCC1=CC(SC)=CC=C1 4002913 [1,0,0,0,0,0|1,1,1]=4 4 B11R1.189 CNCC1=NC=CC(OC)=C1 4088040 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.189 COC1=CC(CNN)=CC=C1 4015018 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 4004512 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.386 COC1=CC=C(CNN)C=C1OC 4110605 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 4015017 [0,0,0,1,0,0|1,0,1]=3 9 B13R2.449 NNCC1=CC=C2OCOC2=C1 4014997 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 3005197 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [2,0,0,0,0,0|1,0,1]=4 14 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [2,0,0,0,0,0|1,1,0]=4 17 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [2,0,0,0,0,0|1,1,0]=4 18 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.270 C=CCC1=CC(C=O)=CC=C1O 6474172 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.278 CCOC1=CC=CC(CNC)=C1 4089403 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.278 CCOC1=CC=CC(CNC)=C1 9070811 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.382 C=CCOC1=CC(CO)=CC=C1 9071268 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.382 CCNCC1=CC(OC)=CC=C1 4090705 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.382 CCNCC1=CC(OC)=CC=C1 5545112 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.382 COC1=CC(CCCN)=CC=C1 4101633 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.382 COC1=CC(OCCCl)=CC=C1 9071216 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.382 COC1=CC=CC(OCCBr)=C1 5471033 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.435 CNC(C)C1=CC(OC)=CC=C1 4004540 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C 4030379 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.288 CNCC1=CC(O)=C(OC)C=C1 9070925 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4032810 [0,2,0,0,0,0|0,0,2]=4 39 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4090843 [0,2,0,0,0,0|0,0,2]=4 40 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,2,0,0,0,0|1,0,0]=3 41 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,2,0,0,0,0|1,0,0]=3 42 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 4090546 [0,2,0,0,0,0|1,0,1]=4 43 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 5563263 [0,2,0,0,0,0|1,0,1]=4 44 B14R1.793 COC1=CC=C(CCCN)C=C1OC 4001946 [0,2,0,0,0,0|0,0,2]=4 45 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 6524773 [0,2,0,0,0,0|1,0,1]=4 46 B12R2.44 COC1=CC=C2C=CNC2=C1 4036833 [1,0,0,1,0,0|1,0,0]=3 47 B12R2.315 COC1=C2C=CNC2=CC=C1 4036775 [1,0,0,1,0,0|1,0,0]=3 48 B14R2.991 N#CCOC1=CC=C2OCOC2=C1 4028128 [0,1,0,1,0,0|1,0,1]=4