0 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1N XJ3347 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O LQ0199 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 RT9342 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 LT1122 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 YH00033 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 LX2950 [1,0,0,0,0,0|2,0,0]=3 7 B15R1.86 CNC1=CC=CC=C1C(=O)OCC(C)C YH12270 [0,1,0,0,0,0|0,0,0]=1 8 B15R2.6 CN(C)CCC1=CNC2=CC=CC=C12 YH10154 [0,0,0,1,0,0|3,0,0]=4 9 B13R1.201 CC(C)CC(=O)C1=CC=CC=C1Br CJ2837 [0,0,0,0,1,0|1,0,0]=2 10 B13R1.201 CC(C)CC(N)C1=CC=CC=C1N RT3355 [0,0,0,0,1,0|1,0,1]=3 11 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O JZ3931 [0,0,0,0,1,0|1,0,0]=2 12 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [2,0,0,0,0,0|1,0,0]=3 13 B12R1.30 CCCNC(=O)C1=NC=CC=C1 CJ3376 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [2,0,0,0,0,0|0,0,0]=2 15 B12R1.30 NCCOC(=O)C1=CN=CC=C1 RT2347 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 YH08753 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 RT2194 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 JZ4908 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [2,0,0,0,0,0|2,0,0]=4 27 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 RT1383 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.678 CC1=CC=C(C(=O)CNC(C)C)C=C1 RT6161 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.678 CN(C)CCC(=O)C1=CC=C(Br)C=C1 RT1558 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CC=C1N HL4252 [0,1,0,0,1,0|0,0,0]=2 31 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 CJ2866 [1,0,0,1,0,0|1,0,0]=3 32 B14R2.768 CN(C)CC1=CC2=C(C=CC=C2)N1 RT8285 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.44 CCCC1CC2=C(C=CC=C2)C1=O YH95821 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.2 CC(N)CC1=CNC2=C1C=CC=C2 RT2129 [0,0,0,1,1,0|2,0,0]=4 35 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 YH52747 [0,0,0,1,1,0|2,0,0]=4 36 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 LX2229 [0,0,0,1,1,0|2,0,0]=4 37 B14R2.8052 CC1(C)OC(=O)C2=C1C=CNC2=O RT10146 [0,0,0,1,1,0|2,0,0]=4 38 B14R2.29496 CC1(C)CC(=O)C2=CC=CC=C2O1 YH57996 [0,0,0,1,1,0|1,0,0]=3 39 B14R2.29496 CC1(C)NC(=O)C2=CC=CC=C2O1 RT7763 [0,0,0,1,1,0|2,0,0]=4 40 B16R2.477 CC(C)COC1=CC=C2C=CC=CC2=C1 JZ1900 [0,0,0,1,0,1|2,0,0]=4 41 B16R2.7896 COC1=CC=CC=C1C2=NC(C)(C)CO2 LT2416 [0,1,0,1,0,0|2,0,0]=4 42 B16R2.80731 CC1=C(Br)C=CC=C1C2=NC(C)(C)CO2 RT11175 [0,1,0,1,0,0|2,0,0]=4 43 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [1,0,0,0,1,0|1,0,1]=4 44 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 LQ0236 [1,0,0,0,0,1|0,0,0]=2 45 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 LT4145 [1,0,0,0,0,1|0,0,0]=2