0 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.35 CCSCCC(=O)C1=CC=CS1 CNP0369340.0 [0,0,0,0,0,0|1,1,0]=2 2 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [1,0,0,0,0,0|0,1,1]=3 5 B11R1.29 C=CCOC(=O)C1=CC=CO1 CNP0002876.0 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.29 CCCCC(=O)C1=CC=CO1 CNP0002605.0 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.29 CCCOC(=O)C1=CC=CO1 CNP0083141.0 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.29 COCNC(=O)C1=CC=CN1 CNP0458701.0 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.23 CCSCCC(=O)C1=CC=C(S1)Br CNP0040649.0 [0,1,0,0,0,0|1,1,0]=3 10 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 CNP0520871.0 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.48 CCCCCCC(=O)C1=CC=CS1 CNP0123160.0 [0,1,0,0,0,0|0,1,0]=2 12 B13R1.342 CN(C)CCOC(=O)C1=CC=CO1 CNP0371282.0 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.3040 O=C1CCNC(=O)C2=C1C=CO2 CNP0018113.0 [0,0,0,1,0,0|2,0,1]=4 14 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [0,0,0,0,0,1|1,0,2]=4 15 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [0,0,0,0,0,1|1,0,0]=2 16 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [0,0,0,0,0,1|1,0,2]=4 17 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [0,0,0,0,0,1|2,0,0]=3 18 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [0,0,0,0,0,1|2,0,0]=3 19 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [0,0,0,0,0,1|2,0,0]=3 20 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [0,0,0,0,0,1|2,0,0]=3 21 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [0,0,0,0,0,1|2,0,1]=4 22 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,1,0,0,0|1,0,0]=3 23 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,0,1,0,0,0|1,0,1]=4 24 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [1,0,1,0,0,0|0,0,1]=3 25 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [1,0,1,0,0,0|0,0,1]=3 26 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [1,0,1,0,0,0|0,0,1]=3 27 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [1,0,1,0,0,0|0,1,1]=4 28 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,0,1,0,0,0|0,0,2]=4 29 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [1,0,1,0,0,0|0,0,1]=3 30 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [1,0,1,0,0,0|0,0,1]=3 31 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [1,0,1,0,0,0|0,0,2]=4 32 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [2,0,0,0,0,0|0,0,2]=4 33 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [2,0,0,0,0,0|0,0,1]=3 34 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [2,0,0,0,0,0|0,1,0]=3 36 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [2,0,0,0,0,0|1,1,0]=4 39 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [2,0,0,0,0,0|0,1,0]=3 41 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [2,0,0,0,0,0|1,0,0]=3 43 B12R0.239 C/C=C/C=C/C(=O)C[C@@H](O)CCO CNP0265618.1 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.7 CCCC#CC=C1C=CC(=O)O1 CNP0290336.0 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.7 CCCC=CC=C1C=CC(=O)O1 CNP0415962.0 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.37 CCCCCCCC1=CC=CN1 CNP0033331.0 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.255 CC(C)CCN=CC1=CC=CO1 CNP0434350.0 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.477 CCC(C)CN=CC1=CC=CO1 CNP0429593.0 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.15 CCC(=O)CC(=O)C1=CC=CN1 CNP0583528.0 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.54 CC(C)CCC(=O)C1=COC=C1 CNP0108057.0 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.54 C[C@H](O)CCC(=O)C1=COC=C1 CNP0135487.1 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N CNP0165219.0 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O CNP0230608.0 [0,1,0,0,0,1|2,0,0]=4 56 B14R1.19 CNCCCC(=O)C1=CC=C(N=C1)O CNP0068763.0 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.20 CCCCOC(=O)C1=CC=CC(=C1)N CNP0039335.0 [0,1,0,0,0,1|2,0,0]=4 58 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 CNP0317762.0 [0,1,0,0,0,1|1,0,0]=3 59 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CNP0333667.0 [0,1,0,0,0,1|1,0,0]=3 60 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 CNP0266732.0 [0,1,0,0,0,1|2,0,0]=4 61 B14R1.166 CCCCC(=O)C(=O)C1=CC=CC=C1 CNP0565444.0 [0,1,0,0,0,1|1,0,1]=4 62 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 CNP0347277.0 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1Cl CNP0081712.0 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N CNP0239590.0 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O CNP0002458.0 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.37 CCCCCCC(=O)C1=CN=C(N1)N CNP0508006.0 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.169 CCCCCCCC(=O)C1=CC=CO1 CNP0373345.0 [0,2,0,0,0,0|0,0,0]=2 68 B14R1.169 CCCCCCOC(=O)C1=CC=CO1 CNP0002785.0 [0,2,0,0,0,0|0,0,0]=2 69 B14R1.533 CCN(CC)CCC(=O)C1=CC=CS1 CNP0449701.0 [0,2,0,0,0,0|1,1,0]=4 70 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,0,1,1,0,0|0,0,2]=4 71 B12R1.455 CCCCCC1=CC=C(O1)C=O CNP0197928.0 [0,0,1,1,0,0|0,0,2]=4 72 B12R2.2 C1=COC(=C1)C2=NCCCC2 CNP0002566.0 [1,0,0,1,0,0|1,0,0]=3 73 B12R2.2 C1=COC(=C1)C2CCCCN2 CNP0113625.0 [1,0,0,1,0,0|1,0,1]=4 74 B12R2.2 C1=CSC(=C1)N2CCCCC2 CNP0521199.0 [1,0,0,1,0,0|1,1,0]=4 75 B12R2.98 C(=C1CCNC1)C2=CC=CO2 CNP0002557.0 [1,0,0,1,0,0|1,0,1]=4 76 B12R2.98 C1=COC(=C1)CN2CCCC2 CNP0134055.0 [1,0,0,1,0,0|1,0,1]=4 77 B14R2.1726 CC1=CC2=C(O1)C(=O)CC[C@H]2CO CNP0516716.1 [0,1,0,1,0,0|1,0,0]=3 78 B14R2.3289 COC1CCNC(=O)C2=C1C=CN2 CNP0434381.0 [0,1,0,1,0,0|2,0,0]=4 79 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,0,0,0,0,1|1,0,1]=4 80 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [1,0,0,0,0,1|1,0,1]=4 81 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [1,0,0,0,0,1|1,0,0]=3 82 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [1,0,0,0,0,1|2,0,0]=4 83 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [1,0,0,0,0,1|2,0,0]=4 84 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [1,0,0,0,0,1|2,0,0]=4 85 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [1,0,0,0,0,1|2,0,0]=4 86 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 CNP0002492.0 [0,0,0,0,0,2|2,0,0]=4