0 B10R1.17 NCCOC1=CC=CC=C1 RF03254 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.8 CNCC1=CC=NC=C1 MO00914 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 CC(N=C=S)C1=CC=CC=C1 SB01624 [0,1,0,0,0,0|1,1,1]=4 5 B11R1.17 NCCOC1=CC=CC=C1Cl RF03300 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.28 NCCOCC1=CC=CC=C1 MO07103 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BTB09548 [0,1,0,0,0,0|0,0,3]=4 8 B11R1.28 S=C=NCCC1=CC=CC=C1 TL00242 [0,1,0,0,0,0|0,1,1]=3 9 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.91 CN(C)CCC1=NC=CC=C1 SB01680 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,1,0,0,0,0|1,1,1]=4 14 B11R2.1 OC1=NOC2=C1C=CC=C2 RF01278 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.20 C1=CC2=C(N=C1)NCCO2 CC60830 [0,0,0,1,0,0|2,0,0]=3 16 B11R2.20 C1=CC=C2OCCNC2=C1 MAY00300 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.12 N#CCCN1C=CC=C1 CD01949 [0,0,0,0,1,0|2,0,1]=4 18 B8R1.2 OCC1=NC=CN=C1 CC03409 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.1 CCCC1=CN=C(Cl)N=C1 RJC02409 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.1 CNCC1=NC=C(Br)C=C1 MO07896 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,1,0,0,0,0|0,0,0]=2 24 B10R1.4 CNCC1=NC=CC=C1F CC30946 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.10 CNCC1=CC(Br)=CN=C1 CC67146 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.10 CNCC1=CC(Cl)=NC=C1 CC53646 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.1 CCCCOC1=CC=C(Br)C=C1 BTB09793 [0,2,0,0,0,0|1,0,0]=3 29 B12R1.1 ClC1=CC=C(OCCCI)C=C1 RH01447 [0,2,0,0,0,0|1,0,0]=3 30 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,2,0,0,0,0|1,0,1]=4 31 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,2,0,0,0,0|1,0,1]=4 32 B12R1.71 C#CC1=CC=C(CCCC)C=C1 BTB09904 [0,2,0,0,0,0|1,0,0]=3 33 B12R1.71 CCCCC1=CC=C(C#N)C=C1 TL00747 [0,2,0,0,0,0|1,0,0]=3 34 B12R1.71 CCCOC1=CC=C(C#N)C=C1 BTB09860 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.385 CCCCC1=CC=C(N)C(C)=C1 SB01607 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.8 N#CCCNCC1=CC=NC=C1 DSHS00705 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.27 COC(=O)CSC1=CC=CC=C1 TL00707 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.27 N\C(COC1=CC=CC=C1)=N/O SPB02646 [0,2,0,0,0,0|1,0,1]=4 40 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,1,0,0|1,0,0]=3 41 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 CC32810 [0,1,0,1,0,0|0,0,0]=2 42 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 CC60810 [0,1,0,1,0,0|2,0,0]=4 43 B12R2.24 NC1=CC=C2OCOCC2=C1 SEW03598 [0,1,0,1,0,0|1,0,0]=3 44 B12R2.32 OCC1CC2=C(C=CC=C2)N1 MO01098 [0,1,0,1,0,0|0,0,0]=2 45 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 CC58710 [0,1,0,1,0,0|2,0,0]=4 46 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|0,0,2]=4 47 B12R2.1 OCC1=CSC2=C1C=CC=C2 CC12309 [0,1,0,1,0,0|0,0,2]=4