0 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P11245 [1,0,0,0,0,0|1,0,0]=2 1 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 B18347 [1,0,0,0,0,0|2,0,0]=3 3 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=NC=C1 A13051 [0,1,0,0,0,0|3,0,0]=4 4 B15R2.1668 CC(C)CC1=NC2=C(C=CC=C2)C=C1 I8418 [0,0,0,1,0,0|2,0,1]=4 5 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A6347 [0,0,0,0,1,0|1,0,0]=2 6 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 B10083 [0,0,0,0,0,1|2,0,1]=4 7 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 S17857 [0,0,0,0,0,1|2,0,1]=4 8 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 C4348 [0,0,0,0,0,1|2,0,1]=4 9 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [2,0,0,0,0,0|1,0,0]=3 11 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [2,0,0,0,0,0|1,0,0]=3 12 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [2,0,0,0,0,0|2,0,0]=4 13 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 A14485 [1,1,0,0,0,0|2,0,0]=4 14 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 C4389 [1,1,0,0,0,0|1,0,1]=4 15 B14R1.756 O=C(OCC1=CC=CC=C1)C(Br)CBr B13062 [1,1,0,0,0,0|1,0,0]=3 16 B14R1.6449 CC(C)C(O)CNCC1=CC=CC=C1 B16830 [1,1,0,0,0,0|1,0,1]=4 17 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 O8685 [0,1,0,0,1,0|1,0,1]=4 18 B14R1.5978 CC(C)OC(=O)NC1=CC(Cl)=CC=C1 I0800 [0,1,0,0,1,0|2,0,0]=4 19 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 A09991 [0,2,0,0,0,0|2,0,0]=4 20 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 A09991 [0,2,0,0,0,0|2,0,0]=4 21 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,0,0,1,1,0|2,0,0]=4 22 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,0,0,1,1,0|2,0,0]=4 23 B14R2.741 O=C1NCC2=CC=CC=C2CC1F F17491 [0,0,0,1,1,0|2,0,0]=4 24 B14R2.741 O=C1NCC2=CC=CC=C2CC1I I17495 [0,0,0,1,1,0|2,0,0]=4 25 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(O)C2 H12258 [0,0,0,1,0,1|1,0,0]=3 26 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 O12261 [0,0,0,1,0,1|1,0,1]=4 27 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 O12261 [0,0,0,1,0,1|1,0,1]=4 28 B16R2.11795 CC1(C)CC(=O)C(O)=C1C2=CC=CC=C2 H16277 [0,1,0,1,0,0|1,0,1]=4 29 B16R2.2400 O=C1NC(CO)CC1CC2=CC=CC=C2 B13560 [0,1,0,1,0,0|2,0,0]=4 30 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 A12263 [0,1,0,1,0,0|1,0,0]=3 31 B12R1.32 CCCC(=O)OC1=CC=CC=C1 P7639 [1,0,0,0,1,0|0,0,0]=2 32 B12R1.32 CNCC(=O)CC1=CC=CC=C1 M5866 [1,0,0,0,1,0|1,0,0]=3 33 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 D7719 [0,0,0,0,2,0|2,0,0]=4 34 B12R1.43 CN(C)C(=O)OC1=NC=CC=C1 D13986 [0,0,0,0,2,0|2,0,0]=4 35 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17740 [1,0,0,0,0,1|2,0,0]=4 36 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17741 [1,0,0,0,0,1|2,0,0]=4