0 B16R1.13650 CCOC(=O)C(CC1=CC=CC=C1)C(=O)C CNP0199689.0 [0,0,0,0,0,0|0,0,2]=2 1 B15R1.640 CCOC(=O)C(=CC1=CC=CC=C1)C#N CNP0045657.0 [1,0,0,0,0,0|1,0,1]=3 2 B15R1.640 CCOC(=O)C(CC)CC1=CC=CC=C1 CNP0148060.0 [1,0,0,0,0,0|0,0,3]=4 3 B17R2.50008 CCN=C(C)C1=CC2=CC=CC=C2OC1=O CNP0251676.0 [0,0,0,1,0,0|3,0,0]=4 4 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2N=C1N CNP0190748.0 [0,0,0,1,0,0|2,0,0]=3 5 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2OC1=O CNP0256733.0 [0,0,0,1,0,0|1,0,0]=2 6 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2OC1=S CNP0302483.0 [0,0,0,1,0,0|1,0,1]=3 7 B17R1.18492 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C CNP0248084.0 [0,0,0,0,0,1|0,0,2]=3 8 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [2,0,0,0,0,0|0,0,1]=3 9 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [2,0,0,0,0,0|1,0,0]=3 10 B14R1.467 CCCCC(=CC1=CC=CC=C1)C=O CNP0012703.0 [2,0,0,0,0,0|1,0,1]=4 11 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CNP0179026.0 [2,0,0,0,0,0|0,0,2]=4 12 B16R1.743 CCOC(=O)C(=CC1=CC=C(C=C1)C)C#N CNP0174471.0 [1,1,0,0,0,0|1,0,1]=4 13 B16R1.743 CCOC(=O)C(=CC1=CC=C(C=C1)Cl)C#N CNP0057463.0 [1,1,0,0,0,0|1,0,1]=4 14 B16R1.743 CCOC(=O)C(=CC1=CC=C(C=C1)O)C#N CNP0099780.0 [1,1,0,0,0,0|1,0,1]=4 15 B16R1.951 CCOC(=O)C(=C(C)C1=CC=CC=C1)C#N CNP0126069.0 [1,1,0,0,0,0|1,0,1]=4 16 B16R1.15117 CCOC(=O)C(=CC1=CC=CC=C1Br)C#N CNP0009628.0 [1,1,0,0,0,0|1,0,1]=4 17 B16R1.15117 CCOC(=O)C(=CC1=CC=CC=C1Cl)C#N CNP0359306.0 [1,1,0,0,0,0|1,0,1]=4 18 B18R1.28793 CCOC(=O)C(=CC1=CC=C(C=C1)O)CC(=O)O CNP0511535.0 [0,1,0,0,0,1|1,0,0]=3 19 B18R1.28793 CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C CNP0411958.1 [0,1,0,0,0,1|0,0,2]=4 20 B18R1.37145 CC(=O)NC(=CC1=CC=CC=C1)C(=O)OC(C)C CNP0498227.0 [0,1,0,0,0,1|0,0,0]=2 21 B18R1.24221 CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC CNP0033230.0 [0,2,0,0,0,0|0,0,0]=2 22 B18R1.24221 CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC CNP0037327.0 [0,2,0,0,0,0|0,0,2]=4 23 B16R2.767 CCCC(=O)C1=CC=C2C=CC=CC2=C1 CNP0146796.0 [1,0,0,1,0,0|1,0,1]=4 24 B16R2.767 CCOC(=O)C1=CN=C2C=CC=CC2=N1 CNP0270518.0 [1,0,0,1,0,0|2,0,0]=4 25 B16R2.33941 CCC(=O)C1=CC2=CC=CC=C2OC1=O CNP0557743.0 [1,0,0,1,0,0|1,0,0]=3 26 B16R2.33941 O=C(CBr)C1=CC2=CC=CC=C2OC1=O CNP0051319.0 [1,0,0,1,0,0|2,0,0]=4 27 B18R2.124774 CCCC(=O)CC1=CC2=CC=CC=C2OC1=O CNP0364859.0 [0,0,0,1,0,1|2,0,0]=4 28 B18R2.230 CCOC(=O)C1=C(N=C(S1)N)C2=CC=CC=C2 CNP0090391.0 [0,0,0,1,0,1|2,0,0]=4 29 B18R2.230 CCOC(=O)[C@H]1NC(=O)C[C@H]1C2=CC=CC=C2 CNP0156055.1 [0,0,0,1,0,1|0,0,2]=4 30 B18R2.81880 CCOC(=O)C1=CC2=CC(=CC=C2OC1=O)Br CNP0009784.0 [0,1,0,1,0,0|1,0,0]=3 31 B18R2.81880 CCOC(=O)C1=CC2=CC(=CC=C2OC1=O)Cl CNP0238952.0 [0,1,0,1,0,0|1,0,0]=3 32 B18R2.630054 CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1C CNP0411819.0 [0,1,0,1,0,0|2,0,0]=4 33 B18R2.24266 CCN1C(=C(C(=O)C2=CC=CC=C12)C(=O)C)O CNP0454978.0 [0,1,0,1,0,0|1,0,1]=4 34 B18R2.72556 CC(=O)C(=C1SCCS1)C(=O)C2=CC=CC=C2 CNP0024875.0 [0,1,0,1,0,0|0,2,0]=4 35 B18R2.82315 CCOC(=O)C1=C(C2=CC=CC=C2OC1=O)O CNP0528242.0 [0,1,0,1,0,0|1,0,0]=3 36 B18R2.82315 CCOC(=O)C1=C(N=C2C=CC=CC2=C1Cl)Br CNP0495139.0 [0,1,0,1,0,0|2,0,0]=4 37 B18R2.81826 CCCC(=O)C1=CC2=CC=C(C=C2OC1=O)O CNP0563544.0 [0,1,0,1,0,0|2,0,0]=4 38 B18R2.81826 CCOC(=O)C1=CC2=CC=C(C=C2OC1=N)O CNP0567382.0 [0,1,0,1,0,0|1,0,1]=4 39 B18R2.81826 CCOC(=O)C1=CC2=CC=C(C=C2OC1=O)O CNP0504487.0 [0,1,0,1,0,0|1,0,0]=3 40 B18R2.123786 O=C(NCCO)C1=CC2=CC=CC=C2OC1=O CNP0561965.0 [0,1,0,1,0,0|2,0,0]=4 41 B18R2.61969 CC(C)NC(=O)C1=CC2=CC=CC=C2OC1=O CNP0369141.0 [0,1,0,1,0,0|2,0,0]=4 42 B14R1.604 CCOC(=O)[C@H](OC)C1=CC=CC=C1 CNP0204637.1 [1,0,0,0,1,0|1,0,1]=4 43 B16R1.5825 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C CNP0233307.1 [1,0,0,0,0,1|0,0,2]=4 44 B16R1.5825 COC(=O)[C@H](CC1=CC=CC=C1)OC(=O)C CNP0333706.1 [1,0,0,0,0,1|0,0,2]=4 45 B16R1.14044 CCOC(=O)[C@H](OC(=O)C)C1=CC=CC=C1 CNP0222219.1 [0,0,0,0,1,1|0,0,1]=3