0 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)N R433381 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.20 CC1=CC=C(C=C1)C2=NOC(=C2)N L482900 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.20 CC1=CC=C(C=C1)C2=NOC(=N2)C S382744 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.20 N=C1[CH-][N+](=NO1)C2=CC=C(C=C2)Cl R890693 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.20 NC1=CC(=NO1)C2=CC=C(C=C2)Br L482919 [0,0,0,0,0,0|2,1,1]=4 5 B14R2.20 NC1=CC(=NO1)C2=CC=C(C=C2)F L482927 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.20 NC1=NC(=CS1)C2=CC=C(C=C2)F PH005158 [0,0,0,0,0,0|0,2,2]=4 7 B14R2.20 NC1=NC(=CS1)C2=CC=C(C=C2)O CDS001888 [0,0,0,0,0,0|1,1,2]=4 8 B14R2.20 NC1=NC=C(N1)C2=CC=C(C=C2)Cl CBR00722 [0,0,0,0,0,0|1,0,3]=4 9 B14R2.20 NC1=NCC(N1)C2=CC=C(C=C2)Cl PH013621 [0,0,0,0,0,0|1,0,1]=2 10 B14R2.20 NC1=NNC(=N1)C2=CC=C(C=C2)F PH018104 [0,0,0,0,0,0|2,1,1]=4 11 B14R2.20 NC1=NOC(=C1)C2=CC=C(C=C2)Cl JRD0177 [0,0,0,0,0,0|3,0,1]=4 12 B14R2.20 SC1=NC(=CS1)C2=CC=C(C=C2)Cl L481394 [0,0,0,0,0,0|1,1,2]=4 13 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.10 ClC1=NC(=NO1)C2=CC=CC=C2 CBR01758 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 L133558 [1,0,0,0,0,0|0,1,2]=4 16 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 OTV000831 [1,0,0,0,0,0|0,1,2]=4 17 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 CDS015096 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.12 ClC1=CC=C(C=C1)C2=NOC=C2 JRD0213 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 PH009946 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.12 OC1=CC=C(C=C1)C2=COC=N2 PH003573 [1,0,0,0,0,0|1,0,2]=4 22 B15R2.275 CC1=CC=C(C=C1)C2=NOC(=N2)CN CDS023927 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.275 NCC1=CSC(=N1)C2=CC=C(C=C2)Cl PH019003 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.275 O=CC1=NC(=NO1)C2=CC=C(C=C2)Cl CBR02333 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.309 CC1=C(N=C(S1)N)C2=CC=C(C=C2)Cl JRD0109 [0,1,0,0,0,0|0,1,2]=4 26 B15R2.309 NC1=NC(=O)C(S1)C2=CC=C(C=C2)Cl PH009668 [0,1,0,0,0,0|2,0,1]=4 27 B15R2.1153 NC1=NC(=CS1)C2=C(C=C(C=C2)Cl)Cl OTV000756 [0,1,0,0,0,0|0,1,2]=4 28 B15R2.18922 N=C1CCC(N1)(O)C2=CC=C(C=C2)Cl S762148 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.14 CO/C(=N\NC1=CC=C(C=C1)Br)/Cl S282243 [0,0,1,0,0,0|2,1,0]=4 31 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,0,1,0,0,0|2,0,1]=4 32 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,0,1,0,0,0|3,0,0]=4 33 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,0,1,0,0,0|3,0,0]=4 34 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,0,1,0,0,0|2,1,0]=4 35 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,0,1,0,0,0|2,0,0]=3 36 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,0,1,0,0,0|2,1,0]=4 39 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,0,1,0,0,0|3,0,0]=4 41 B15R2.3 O=C1CCC(=NN1)C2=CC=C(C=C2)Cl JRD0773 [0,0,0,0,0,1|2,0,1]=4 42 B15R2.98 NC1=NN(C=C1)CC2=CC=C(C=C2)Cl R432881 [0,0,0,0,0,1|2,0,1]=4 43 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,0,1,0,0,0|1,0,1]=4 44 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,0,1,0,0,0|1,0,1]=4 47 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.252 N=C(N)CCCC1=CC=CC=N1 PH015391 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,1,0,0,0|1,0,0]=3 50 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,1,0,0,0|2,0,0]=4 53 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,1,1,0,0,0|2,0,0]=4 54 B14R2.8 NCC1=NC(=NO1)C2=CC=CC=C2 CBR01044 [1,1,0,0,0,0|1,0,1]=4 55 B14R2.2950 C[N+]1(CCC(=N1)N)C2=CC=CC=C2 S274771 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [1,1,0,0,0,0|2,0,0]=4 57 B16R2.2865 CC(N)C1=NC(=NO1)C2=CC=C(C=C2)Cl CDS005619 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,0,1,0,1,0|1,1,0]=4 59 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,0,1,0,1,0|1,0,0]=3 60 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,0,1,0,1,0|2,0,0]=4 61 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,0,1,0,1,0|0,1,0]=3 62 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,0,1,0,1,0|1,1,0]=4 63 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,0,1,0,1,0|2,0,0]=4 64 B14R1.677 N=C(N)NCCOC1=CC=C(C=C1)Cl PH012592 [0,0,1,0,0,1|1,0,0]=3 65 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [1,0,0,0,0,1|1,0,1]=4 66 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [1,0,0,0,0,1|1,0,1]=4