0 B14R1.756 CC=C(C)C(=O)OCC1=CC=CC=C1 CNP0244771.0 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.756 CC[C@@H](C)C(=O)OCC1=CC=CC=C1 CNP0174832.1 [0,0,0,0,0,0|0,0,2]=2 2 B14R1.756 O=C(OCC1=CC=CC=C1)C(=CBr)Br CNP0069557.0 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [1,0,0,0,0,0|0,0,0]=1 5 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.351 CC(C)C(=O)C=CC1=CC=CC=C1 CNP0418879.0 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [1,0,0,0,0,0|0,0,1]=2 11 B15R1.826 CCC[C@@H](C)C(=O)NCC1=CC=CC=C1 CNP0481925.2 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.826 CCC[C@H](C)C(=O)NCC1=CC=CC=C1 CNP0481925.1 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.3678 CC(=C(C)C(=O)OCC1=CC=CC=C1)C CNP0242028.0 [0,1,0,0,0,0|0,0,0]=1 14 B15R2.321 CN1C(=O)CC(C1=O)C2=CC=CC=C2 CNP0568984.0 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.321 C[C@@H]1[C@H](OC(=O)N1C)C2=CC=CC=C2 CNP0277313.2 [0,0,0,1,0,0|1,0,1]=3 16 B15R2.321 C[C@H]1[C@@H](OC(=O)N1C)C2=CC=CC=C2 CNP0277313.3 [0,0,0,1,0,0|1,0,1]=3 17 B15R2.321 C[C@H]1[C@H](OC(=O)N1C)C2=CC=CC=C2 CNP0277313.1 [0,0,0,1,0,0|1,0,1]=3 18 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,0,0,0,1,0|2,0,0]=3 19 B15R1.741 CCC(C)OC(=O)CCC1=CC=CC=C1 CNP0493756.0 [0,0,0,0,0,1|1,0,2]=4 20 B15R1.1321 CC=C(C)C(=O)OCCC1=CC=CC=C1 CNP0081257.0 [0,0,0,0,0,1|0,0,0]=1 21 B15R1.1321 CCC(C)C(=O)OCCC1=CC=CC=C1 CNP0079910.0 [0,0,0,0,0,1|0,0,2]=3 22 B15R1.1321 CC[C@@H](C)C(=O)NCCC1=CC=CC=C1 CNP0322615.2 [0,0,0,0,0,1|1,0,2]=4 23 B15R1.1321 CC[C@H](C)C(=O)NCCC1=CC=CC=C1 CNP0322615.1 [0,0,0,0,0,1|1,0,2]=4 24 B15R1.1321 CNC(=O)C(=O)NCCC1=CC=CC=C1 CNP0588496.0 [0,0,0,0,0,1|3,0,0]=4 25 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [2,0,0,0,0,0|0,0,1]=3 29 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [2,0,0,0,0,0|1,0,0]=3 34 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 CNP0002786.0 [1,1,0,0,0,0|0,0,2]=4 35 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 CNP0222285.0 [1,1,0,0,0,0|0,0,2]=4 36 B14R1.156 CSC=CC(=O)OCC1=CC=CC=C1 CNP0107090.0 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CNP0036736.0 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CNP0242577.0 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C CNP0329881.0 [1,1,0,0,0,0|0,0,0]=2 40 B14R1.818 CC(=C[C@@H](C)OCC1=CC=CC=C1)C CNP0049240.1 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.818 CC(=C[C@H](C)OCC1=CC=CC=C1)C CNP0049240.2 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [1,1,0,0,0,0|0,0,1]=3 43 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 CNP0227794.0 [1,1,0,0,0,0|0,0,2]=4 44 B14R1.818 NC(=O)NC(=O)OCC1=CC=CC=C1 CNP0227608.0 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.415 CC(C)C(=O)OC(=O)C1=CC=CC=C1 CNP0166188.0 [1,1,0,0,0,0|0,0,2]=4 46 B14R1.415 CC(C)C(=O)OC(C)C1=CC=CC=C1 CNP0002787.0 [1,1,0,0,0,0|0,0,1]=3 47 B14R1.3099 CC(C)(C)C(=O)OCC1=CC=CC=C1 CNP0510182.0 [1,1,0,0,0,0|0,0,1]=3 48 B14R1.532 CCN(CC)C(=O)CC1=CC=CC=C1 CNP0242343.0 [0,1,0,0,1,0|1,0,1]=4 49 B16R1.4122 C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)O CNP0602746.1 [0,1,0,0,0,1|1,0,1]=4 50 B14R2.21 O=C1C=CC=C(O1)C2=CC=CC=C2 CNP0142954.0 [1,0,0,1,0,0|0,0,2]=4 51 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.2 [1,0,0,1,0,0|1,0,1]=4 52 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.4 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.598 C[C@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.3 [1,0,0,1,0,0|1,0,1]=4 54 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.1 [1,0,0,1,0,0|1,0,1]=4 55 B14R2.260 O=C1OC(CC1O)C2=CC=CC=C2 CNP0557942.0 [1,0,0,1,0,0|1,0,1]=4 56 B14R2.441 CC1(C(=O)N[C@@H]1C2=CC=CC=C2)C CNP0117080.2 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.441 CC1(C(=O)N[C@H]1C2=CC=CC=C2)C CNP0117080.1 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O CNP0042113.0 [1,0,0,1,0,0|1,0,1]=4 59 B14R2.1128 COC1=CC2=CC=CC=C2OC1=O CNP0191557.0 [0,0,0,1,1,0|1,0,1]=4 60 B14R2.8188 CC1=C(C2=CC=CC=C2OC1=O)O CNP0333808.0 [0,0,0,1,1,0|1,0,0]=3 61 B14R2.8188 CC1=C(OC2=CC=CC=C2C1=O)O CNP0071048.0 [0,0,0,1,1,0|1,0,1]=4 62 B14R2.8188 O=C1OC2=CC=CC=C2C(=C1Br)O CNP0451403.0 [0,0,0,1,1,0|2,0,0]=4 63 B16R2.252 CC1=CC=CC(=C1)OCC2=CC=CC=C2 CNP0101265.0 [0,0,0,1,0,1|1,0,1]=4 64 B16R2.2888 CC(=C1N=C(OC1=O)C2=CC=CC=C2)C CNP0316882.0 [0,1,0,1,0,0|1,0,1]=4 65 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [1,0,0,0,1,0|0,0,2]=4 66 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [1,0,0,0,1,0|0,0,2]=4 67 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.51 CC=CC(=O)OCC1=CC=CO1 CNP0506624.0 [1,0,0,0,1,0|1,0,0]=3 71 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [1,0,0,0,1,0|1,0,0]=3 72 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [1,0,0,0,1,0|1,0,0]=3 73 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [1,0,0,0,1,0|2,0,0]=4 74 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [1,0,0,0,1,0|0,0,1]=3 75 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [1,0,0,0,1,0|1,0,0]=3 76 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 CNP0348092.0 [1,0,0,0,1,0|2,0,0]=4 77 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [1,0,0,0,1,0|2,0,0]=4 79 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [1,0,0,0,1,0|2,0,0]=4 80 B12R1.264 C=C(C)C(=O)CCC1=COC=C1 CNP0209805.0 [1,0,0,0,1,0|2,0,0]=4 81 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,0,0,0,2,0|1,0,0]=3 82 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,0,0,0,2,0|2,0,0]=4 83 B16R1.1635 CC=C(C)C(=O)OCC=CC1=CC=CC=C1 CNP0198712.0 [0,0,0,0,0,2|0,0,0]=2 84 B16R1.1635 CC[C@H](C)C(=O)OC/C=C/C1=CC=CC=C1 CNP0425519.1 [0,0,0,0,0,2|0,0,2]=4