0 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 KM01491 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 HTS13706 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.22 CSC(=N)C1=CC=C(Cl)C=C1 DP01090 [1,0,0,0,0,0|2,1,0]=4 4 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 BTB04111 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BTB04099 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 CD11832 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 HTS02459 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.17 CC1=CC=C(C(=O)NCCO)C=C1 RDR03640 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.17 CCO\N=C(/C)C1=CC=C(C)N=C1 BTB07272 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.17 N#CCCC(=O)C1=CC=C(Cl)C=C1 SEW02405 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.17 N#CCNC(=O)C1=CC=C(Cl)C=C1 RF02552 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 BTB12698 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.29 CCNS(=O)(=O)C1=CC=C(F)C=C1 CD11336 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.466 CCOC(=N)C1=CC=C(F)C(Cl)=C1 RJF00463 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.466 CCOC(=O)C1=CC(N)=C(N)C=C1 RDP00141 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.1511 CCOC(=O)C1=C(O)N=C(C)N=C1 SPB06372 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.1511 CCOC(=O)C1=C(O)N=C(S)N=C1 BTB10802 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1C CD10070 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.1511 CCOC(=O)C1=CN=C(O)C=C1O SPB07340 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.1511 CCOC(=O)C1=CN=C(S)N=C1N BTB04316 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.12 NC1=CC=C(C2=CN=CO2)C=C1 DFP00120 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.12 NC1=CC=C(C2SCCS2)C=C1 KM00666 [0,0,0,1,0,0|0,2,1]=4 23 B11R1.15 CCOC(=O)C1=CC(C)=NN1 SPB01217 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.15 CCOC(=O)C1=CNC(S)=N1 KM06163 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.15 CCOC(=O)C1=CSC(C)=N1 SPB02288 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.15 CCOC(=O)C1=CSC(N)=N1 RH01231 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.15 CCOC(=O)C1=NOC(C)=C1 SPB01195 [0,0,0,0,1,0|3,0,0]=4 28 B13R1.19 CCOC(=S)NC1=CC=C(I)C=C1 NH00781 [0,0,0,0,0,1|1,1,0]=3 29 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 RDP00009 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.30 OCCNC(=S)C1=CC=CC=C1 S02163 [1,1,0,0,0,0|1,1,0]=4 31 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 RJC02323 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.5 NCC1=CC=C(C(=O)NN)C=C1 JFD01774 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 KM10848 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 BTB10693 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 RF02301 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.313 CCOC(=O)C1=C(C)NC(C)=C1 SP00003 [0,1,0,0,1,0|2,0,0]=4 37 B14R1.33 C#CCOC(=O)NC1=CC=C(Cl)C=C1 S07271 [0,1,0,0,0,1|1,0,1]=4 38 B14R1.33 CCCNC(=O)NC1=CC=C(Cl)C=C1 KM09074 [0,1,0,0,0,1|2,0,0]=4 39 B14R1.698 CC(C)OC(=O)NC1=CC=C(Cl)C=C1 SPB07910 [0,1,0,0,0,1|1,0,0]=3 40 B14R1.6823 CCOC(=O)NC1=C(F)C=C(F)C=C1 SEW04913 [0,1,0,0,0,1|1,0,0]=3 41 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 TL00561 [0,2,0,0,0,0|1,0,1]=4 42 B14R1.2523 O=C(NCCCl)C1=CC=C(Cl)C=C1Cl RDR03675 [0,2,0,0,0,0|2,0,0]=4 43 B14R1.610 CCOC(=O)C1=CC=C(N(C)C)C=C1 JFD03116 [0,2,0,0,0,0|0,0,0]=2 44 B14R1.628 CCOC(=O)C1=CC(N)=C(NC)C=C1 MO00109 [0,2,0,0,0,0|0,0,0]=2 45 B14R1.18811 CCOC(=O)C1=C(C)C=C(C)N=C1O RF00883 [0,2,0,0,0,0|2,0,0]=4 46 B14R1.18811 CCOC(=O)C1=C(O)C=C(C)N=C1O BTB12129 [0,2,0,0,0,0|2,0,0]=4 47 B14R1.18811 CCOC(=O)C1=C(O)C=C(C)N=C1O SEW00539 [0,2,0,0,0,0|2,0,0]=4 48 B12R2.1081 O=C1CSCC2=C1C=CC=C2 CD04109 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.1081 S=C1NCCC2=CC=CC=C12 MWP00430 [1,0,0,1,0,0|1,1,0]=4 50 B12R2.2028 CN1SC(=O)C2=C1C=CC=C2 BTB03211 [1,0,0,1,0,0|1,1,0]=4 51 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 RJC01116 [1,0,0,1,0,0|1,0,0]=3 52 B14R2.949 O=C(NC1=CC=C(F)C=C1)C2CC2 SEW04208 [0,0,0,1,0,1|2,0,0]=4 53 B14R2.20 CC1N=C(C2=CC=C(Cl)C=C2)NO1 BTB02406 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.329 COC1=CC=C(C(=O)C2CC2)C=C1 SB00571 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.14 COC(=O)C1=CC=C(Br)O1 KM08612 [1,0,0,0,1,0|2,0,0]=4 56 B12R1.32 CCNC(=O)OC1=CC=CC=C1 BTB13270 [1,0,0,0,0,1|1,0,0]=3 57 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 S14316 [0,0,0,0,0,2|1,0,0]=3 58 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 S14315 [0,0,0,0,0,2|1,0,0]=3