0 B11R1.1 N#CCOC1=CC=C(Br)C=C1 RJC03947 [0,1,0,0,0,0|1,0,1]=3 1 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 KM00412 [0,1,0,0,0,0|1,1,1]=4 2 B11R1.1 N#CCSC1=CC=C(F)C=C1 KM01391 [0,1,0,0,0,0|1,1,1]=4 3 B11R1.1 OCCSC1=CC=C(Cl)C=N1 BTB08976 [0,1,0,0,0,0|1,1,0]=3 4 B11R1.16 N#CCS(=O)C1=CC=CC=C1 NRB01569 [0,1,0,0,0,0|1,1,1]=4 5 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,1,0,0,0,0|1,1,1]=4 10 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [0,1,0,0,0,0|0,0,2]=3 11 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [0,1,0,0,0,0|0,1,1]=3 12 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,1,0,0,0,0|0,2,1]=4 13 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [0,1,0,0,0,0|1,1,1]=4 15 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [1,1,0,0,0,0|0,1,1]=4 16 B12R1.1 CC1=CC=C(OCCC#N)C=C1 SEW04413 [0,2,0,0,0,0|1,0,0]=3 17 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,2,0,0,0,0|1,0,1]=4 18 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [0,2,0,0,0,0|0,0,1]=3 19 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [0,2,0,0,0,0|0,0,2]=4 20 B12R1.21 NC(=S)COC1=CC=C(Cl)C=C1 SPB01323 [0,2,0,0,0,0|0,1,1]=4 21 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,2,0,0,0,0|0,1,1]=4 22 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,2,0,0,0,0|0,1,1]=4 23 B12R1.69 N#CCOC1=CC=C(Cl)C=C1Cl SPB00370 [0,2,0,0,0,0|1,0,1]=4 24 B12R1.71 C#CCOC1=CC=C(C#N)C=C1 KM08122 [0,2,0,0,0,0|1,0,1]=4 25 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,2,0,0,0,0|1,0,0]=3 26 B12R1.71 N#CC1=CC=C(C#CCO)C=C1 KM09036 [0,2,0,0,0,0|1,0,1]=4 27 B12R1.71 N#CC1=CC=C(OCCO)C=C1 RJC02530 [0,2,0,0,0,0|0,0,0]=2 28 B12R1.30 OCCNC(=S)C1=CC=CC=C1 S02163 [0,2,0,0,0,0|1,0,0]=3 29 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [0,2,0,0,0,0|1,0,1]=4 30 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SPB05621 [0,2,0,0,0,0|1,0,1]=4 31 B12R1.125 NC(=S)COC1=CC=CC=C1Cl SPB01326 [0,2,0,0,0,0|0,1,1]=4 32 B12R1.1631 C#CCOC1=C(Cl)C=CC=C1Cl CD06185 [0,2,0,0,0,0|1,0,1]=4 33 B12R1.100 N#CCOC1=CC(Cl)=CC(Cl)=C1 SPB01308 [0,2,0,0,0,0|1,0,1]=4 34 B12R1.226 NC(=S)COC1=CC(Cl)=CC=C1 SPB01327 [0,2,0,0,0,0|0,1,1]=4 35 B12R1.27 NNC(=O)COC1=CC=CC=C1 RH01330 [0,2,0,0,0,0|0,0,2]=4 36 B12R1.27 N\C(COC1=CC=CC=C1)=N/O SPB02646 [0,2,0,0,0,0|0,0,1]=3 37 B12R1.32 CCNC(=O)OC1=CC=CC=C1 BTB13270 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SB02007 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.252 O=C(O)CCOC1=CC=CC=C1 RJC00749 [0,2,0,0,0,0|0,0,0]=2 40 B12R1.252 O=C(O)CCSC1=CC=CC=C1 JFD00825 [0,2,0,0,0,0|0,1,0]=3 41 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CD04055 [0,2,0,0,0,0|0,1,1]=4 42 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,2,0,0,0,0|1,0,1]=4 43 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [0,1,0,1,0,0|0,0,1]=3 44 B12R2.1081 OC1CCOC2=C1C=CC=C2 JFD00618 [0,1,0,1,0,0|0,0,0]=2 45 B12R2.32 OCC1=NC2=CC=CC=C2S1 CC06009 [0,1,0,1,0,0|0,1,1]=4 46 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 RF01288 [0,1,0,1,0,0|1,0,1]=4