0 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,0,0,0,0,0|1,0,3]=4 1 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CNP0147172.0 [0,0,0,0,0,0|0,0,2]=2 4 B14R1.716 COC(=O)C=CC=CC1=CC=CC=C1 CNP0143962.0 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.337 CC(=O)C=CC=CC1=CC=CC=C1 CNP0296768.0 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 CNP0207222.0 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CNP0266306.0 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 CNP0301747.0 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.337 O=C(O)C=CC=CC1=CC=CC=C1 CNP0177753.0 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 CNP0594952.0 [1,0,0,0,0,0|2,0,0]=3 11 B15R1.26 COC(=O)C=CC=CC1=CC=C(C=C1)O CNP0255075.0 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.741 CCC(=O)C[C@H](O)CCC1=CC=CC=C1 CNP0272798.1 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.741 COC(=O)C[C@@H](N)/C=C/C1=CC=CC=C1 CNP0448257.2 [0,1,0,0,0,0|2,0,0]=3 14 B15R1.741 COC(=O)C[C@H](N)/C=C/C1=CC=CC=C1 CNP0448257.1 [0,1,0,0,0,0|2,0,0]=3 15 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 CNP0002420.0 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.959 CCC(=O)CCCC(=O)C1=CC=CC=C1 CNP0212147.0 [0,1,0,0,0,0|1,0,1]=3 17 B15R1.3664 CC(C)C(=O)OCC=CC1=CC=CC=C1 CNP0002419.0 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.3664 CC(C)C(=O)OCCCC1=CC=CC=C1 CNP0175627.0 [0,1,0,0,0,0|0,0,2]=3 19 B15R1.3664 CC(C)C(=O)OCCOC1=CC=CC=C1 CNP0002509.0 [0,1,0,0,0,0|1,0,1]=3 20 B15R2.29 O=C1CCN(CC1)CC2=CC=CC=C2 CNP0071240.0 [0,0,0,1,0,0|2,0,1]=4 21 B15R2.32 CC1=C(SCCC1=O)C2=CC=CC=C2 CNP0193905.0 [0,0,0,1,0,0|2,0,1]=4 22 B15R2.32 CN1C(=CC=CC1=O)C2=CC=CC=C2 CNP0023431.0 [0,0,0,1,0,0|2,0,1]=4 23 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,0,0,0,1,0|1,0,1]=3 24 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,0,0,0,1,0|0,0,1]=2 25 B13R1.718 CCC(C)CN=CC1=CC=CC=C1 CNP0438069.0 [0,0,0,0,1,0|2,0,1]=4 26 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,0,0,0,1,0|2,0,1]=4 27 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,0,0,0,1,0|1,0,0]=2 28 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,0,0,0,1,0|1,0,2]=4 29 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.8 O=CC=CC=CC1=CC=CC=C1 CNP0470167.0 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [2,0,0,0,0,0|0,0,0]=2 32 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [2,0,0,0,0,0|0,0,2]=4 33 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 CNP0077243.0 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.159 CC(=O)OCC=CC1=CC=CC=C1O CNP0108630.0 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.159 CC1=CC=CC=C1C=CCCC(=O)O CNP0322810.0 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.677 CC(=O)CCC=CC1=CC=C(C=C1)O CNP0249738.0 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.677 CC(=O)OCC=CC1=CC=C(C=C1)O CNP0136768.0 [1,1,0,0,0,0|0,0,0]=2 38 B14R1.677 CC(=O)OCCCC1=CC=C(C=C1)O CNP0197993.0 [1,1,0,0,0,0|0,0,2]=4 39 B14R1.818 CC(=O)O[C@H](C)CCC1=CC=CC=C1 CNP0146654.1 [1,1,0,0,0,0|0,0,2]=4 40 B14R1.818 O=C(O)C[C@@H](O)/C=C/C1=CC=CC=C1 CNP0104971.1 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.13 CCC(=O)OCCC1=CC=C(C=C1)O CNP0268748.0 [0,1,0,0,1,0|0,0,1]=3 42 B14R1.163 CCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0242418.1 [0,1,0,0,1,0|0,0,1]=3 43 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 CNP0071110.0 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.756 CSC(=O)N(C)C=CC1=CC=CC=C1 CNP0078029.0 [0,1,0,0,1,0|2,0,0]=4 45 B16R1.1635 CC=C(C)C(=O)OCC=CC1=CC=CC=C1 CNP0198712.0 [0,1,0,0,0,1|1,0,1]=4 46 B16R1.1635 CC[C@H](C)C(=O)OC/C=C/C1=CC=CC=C1 CNP0425519.1 [0,1,0,0,0,1|1,0,1]=4 47 B16R1.1465 CCCCC(=O)OCC=CC1=CC=CC=C1 CNP0538386.0 [0,2,0,0,0,0|0,0,0]=2 48 B16R1.6929 CC(C)CC(=O)OCC=CC1=CC=CC=C1 CNP0129513.0 [0,2,0,0,0,0|0,0,0]=2 49 B16R1.6929 CC(C)CC(=O)OCCCC1=CC=CC=C1 CNP0190720.0 [0,2,0,0,0,0|0,0,2]=4 50 B16R1.3910 COC(=O)CCC=CC1=CC=CC=C1CO CNP0351462.0 [0,2,0,0,0,0|2,0,0]=4 51 B14R2.101 C(=CC1OCCO1)C2=CC=CC=C2 CNP0002857.0 [1,0,0,1,0,0|1,0,1]=4 52 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C12 CNP0174179.0 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [1,0,0,1,0,0|0,0,2]=4 54 B14R2.21 O=C1CCC=C(O1)C2=CC=CC=C2 CNP0057103.0 [1,0,0,1,0,0|2,0,0]=4 55 B14R2.68 CN1CC=C(CC1)C2=CC=CC=C2 CNP0026190.0 [0,0,0,1,1,0|2,0,0]=4 56 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,0,0,1,1,0|0,0,2]=4 57 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,0,0,1,1,0|1,0,1]=4 58 B16R2.14 CNC(=O)CCC1=CNC2=CC=CC=C12 CNP0029864.0 [0,0,0,1,0,1|2,0,0]=4 59 B16R2.14 COC(=O)CCC1=CNC2=CC=CC=C12 CNP0120547.0 [0,0,0,1,0,1|2,0,0]=4 60 B16R2.14 CSC(=O)NCC1=CNC2=CC=CC=C12 CNP0127545.0 [0,0,0,1,0,1|2,0,0]=4 61 B16R2.170412 CNC(=O)OC1=CC=CC2=CC=CC=C12 CNP0441925.0 [0,0,0,1,0,1|1,0,1]=4 62 B16R2.176319 CCC(=O)NC1=CC=C2C1=CC=CC=C2 CNP0455998.0 [0,0,0,1,0,1|1,0,1]=4 63 B16R2.252 O=C1C=C(CCC1)C=CC2=CC=CC=C2 CNP0219233.0 [0,1,0,1,0,0|1,0,1]=4 64 B16R2.252 O=C1C=CC[C@@H](O1)/C=C/C2=CC=CC=C2 CNP0179728.3 [0,1,0,1,0,0|0,0,1]=3 65 B16R2.252 O=C1C=CC[C@@H](O1)/C=C\C2=CC=CC=C2 CNP0179728.1 [0,1,0,1,0,0|0,0,1]=3 66 B16R2.252 O=C1C=CC[C@H](O1)/C=C/C2=CC=CC=C2 CNP0179728.4 [0,1,0,1,0,0|0,0,1]=3 67 B16R2.252 O=C1C=CC[C@H](O1)/C=C\C2=CC=CC=C2 CNP0179728.2 [0,1,0,1,0,0|0,0,1]=3 68 B16R2.2602 CCC1=C(SCCC1=O)C2=CC=CC=C2 CNP0454015.0 [0,1,0,1,0,0|2,0,0]=4 69 B16R2.5972 O=C1OCC(=C(O)C2=CC=CC=C2)C1=O CNP0479957.0 [0,1,0,1,0,0|1,0,1]=4 70 B16R2.5972 O=C1OCC(=C1O)C(=O)C2=CC=CC=C2 CNP0369377.0 [0,1,0,1,0,0|1,0,1]=4 71 B16R2.2843 O=C1CCC(N1)C(=O)NC2=CC=CC=C2 CNP0071003.0 [0,1,0,1,0,0|2,0,0]=4 72 B16R2.2843 O=C1CC[C@H](O1)[C@H](O)CC2=CC=CC=C2 CNP0207232.1 [0,1,0,1,0,0|0,0,2]=4 73 B16R3.17392 O=C1CCC2=CC=C3C=CC=CC3=C12 CNP0056608.0 [0,0,0,2,0,0|1,0,1]=4 74 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,0,0,0,1,0|0,0,1]=3 76 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [1,0,0,0,1,0|1,0,0]=3 77 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [1,0,0,0,1,0|1,0,0]=3 78 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [1,0,0,0,1,0|2,0,0]=4 79 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,2,0|0,0,1]=3 80 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,2,0|2,0,0]=4 81 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,2,0|0,0,0]=2 82 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,2,0|1,0,0]=3 83 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,2,0|1,0,0]=3 84 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,2,0|2,0,0]=4 85 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,2,0|1,0,1]=4 86 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,2,0|1,0,0]=3 87 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,2,0|2,0,0]=4 88 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,2,0|2,0,0]=4 89 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,2,0|2,0,0]=4