0 B14R2.598 CC1CC(=O)NN1C2=CC=CC=C2 S582832 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.598 CC1SC(=S)NN1C2=CC=CC=C2 S275174 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,0,0,0,0,0|1,0,1]=2 4 B14R2.598 NC1=NC(=C(S1)C2=CC=CC=C2)N R174033 [0,0,0,0,0,0|1,1,2]=4 5 B14R2.598 NC1=NC(=O)C(S1)C2=CC=CC=C2 PH009898 [0,0,0,0,0,0|1,1,1]=3 6 B13R2.10 BrC1=NOC(C1)C2=CC=CC=C2 SYX00179 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.10 CC1=NC=C(O1)C2=CC=CC=C2 PH010637 [1,0,0,0,0,0|1,0,2]=4 8 B13R2.10 CC1=NNC(C1)C2=CC=CC=C2 PH013767 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 L316873 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 R100978 [1,0,0,0,0,0|1,0,1]=3 11 B13R2.10 NC1=NN=C([Se]1)C2=CC=CC=C2 S139815 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.10 NC1=NOC(=C1)C2=CC=CC=C2 JRD0178 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 CDS015096 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.10 OC1=NN=C(O1)C2=CC=CC=C2 JRD0391 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [1,0,0,0,0,0|1,1,1]=4 16 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [1,0,0,0,0,0|1,0,2]=4 17 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.16 CCC1NC(=O)CC1C2=CC=CC=C2 PH007941 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.309 NC1=NC(=O)C(S1)C2=CC=C(C=C2)Cl PH009668 [0,1,0,0,0,0|1,1,1]=4 20 B15R2.1682 CNC1=NC(=O)C(S1)C2=CC=CC=C2 PH009186 [0,1,0,0,0,0|1,1,1]=4 21 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,0,1,0,0,0|2,0,1]=4 24 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,0,1,0,0,0|0,1,1]=3 25 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,0,1,0,0,0|0,0,2]=3 26 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 PH005091 [0,0,1,0,0,0|1,0,2]=4 27 B15R2.27 CC1=NC(=NC(=C1)C2=CC=CC=C2)N CBR00532 [0,0,0,0,0,1|1,0,2]=4 28 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,0,1,0,0,0|0,0,2]=4 33 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,1,0,0,0|1,0,1]=4 35 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,1,0,0,0|0,0,2]=4 36 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,1,0,0,0|0,1,1]=4 37 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [2,0,0,0,0,0|0,0,2]=4 38 B14R1.156 C=CC/N=C(\N)/SCC1=CC=CC=C1 PH011931 [0,1,1,0,0,0|0,1,1]=4 39 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 PH016091 [0,1,1,0,0,0|1,0,1]=4 40 B14R1.756 CCC(N)C(=O)OCC1=CC=CC=C1 S789259 [0,1,1,0,0,0|2,0,0]=4 41 B14R1.756 CC[C@@H](N)C(=O)OCC1=CC=CC=C1 S790133 [0,1,1,0,0,0|2,0,0]=4 42 B14R1.6455 CC(=O)OC(C1=CC=CC=C1)C(C)C S495425 [0,1,1,0,0,0|2,0,0]=4 43 B14R1.3642 CCC(C)(OC(=O)C)C1=CC=CC=C1 S877069 [0,1,1,0,0,0|2,0,0]=4 44 B14R2.8 NCC1=NN=C(O1)C2=CC=CC=C2 CDS002248 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.20 NC1=NCC(N1)C2=CC=C(C=C2)Cl PH013621 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.20 NC1=NN=C(O1)C2=CC=C(C=C2)F CDS010669 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.256 NC1=NN=C(O1)C2=CC=CC=C2S R612383 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.256 NC1=NN=C(O1)C2=CC=CC=C2S R614300 [1,1,0,0,0,0|1,0,1]=4 49 B16R2.7245 CCC1=NC(C(O1)C2=CC=CC=C2)CO S460699 [0,2,0,0,0,0|1,0,0]=3 50 B16R2.2880 CN(C)C1=NC(=O)C(O1)C2=CC=CC=C2 PH005078 [0,2,0,0,0,0|1,0,1]=4 51 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 PH011808 [0,0,1,1,0,0|0,1,0]=3 52 B14R2.101 C1=CC=C(N=C1)CNC2=NCCN2 PH013761 [0,0,1,1,0,0|2,0,0]=4 53 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,1,1,0,0|1,0,1]=4 54 B14R2.768 O=C(O)CC1CC2=C(C1)C=CC=C2 PH011454 [0,0,1,1,0,0|2,0,0]=4 55 B14R3.8288 O=C1CC2C1C3=C(C2)C=CC=C3 S52656 [0,0,0,1,1,0|2,0,0]=4 56 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,0,1,0,1,0|0,0,1]=3 57 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,0,1,0,1,0|0,0,1]=3 58 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,0,1,0,1,0|0,0,1]=3 59 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,0,1,0,1,0|2,0,0]=4 60 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,0,1,0,1,0|2,0,0]=4 61 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,0,1,0,1,0|1,1,0]=4 62 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,0,1,0,1,0|2,0,0]=4 63 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,0,1,0,1,0|2,0,0]=4