0 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,0,0,0,0,0|1,0,3]=4 1 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,0,0,0,0,0|0,0,2]=2 3 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,0,0,0,0,0|0,0,0]=0 6 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,0,0,0,0,0|2,1,0]=3 7 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,0,0,0,0,0|2,0,0]=2 9 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,0,0,0,0,0|2,1,0]=3 10 B13R1.42 C[C@H](CCO)CCC1=CC=CC=C1 CNP0269177.1 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.42 [O-][S@@+](CCO)SCC1=CC=CC=C1 CNP0575702.1 [0,0,0,0,0,0|2,1,1]=4 15 B13R1.42 [O-][S@@H+](CCO)SCC1=CC=CC=C1 CNP0546954.1 [0,0,0,0,0,0|2,1,1]=4 16 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [1,0,0,0,0,0|1,0,2]=4 17 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,0,0,0,0,0|1,0,2]=4 18 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,0,0,0,0,0|0,0,1]=2 21 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [1,0,0,0,0,0|1,0,0]=2 24 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [1,0,0,0,0,0|0,0,0]=1 26 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [1,0,0,0,0,0|1,0,2]=4 28 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [1,0,0,0,0,0|2,1,0]=4 32 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [1,0,0,0,0,0|2,0,0]=3 35 B14R1.29 CCCC(=O)NN(C)C1=CC=CC=C1 CNP0022032.0 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 CNP0002786.0 [0,1,0,0,0,0|0,0,0]=1 37 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CNP0238620.0 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 CNP0417882.1 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.32 CCCC(=O)NNC1=CC=CC(=C1)Cl CNP0047837.0 [0,1,0,0,0,0|2,0,0]=3 40 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0259364.1 [0,1,0,0,0,0|2,0,0]=3 43 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0127852.1 [0,1,0,0,0,0|2,0,0]=3 44 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 CNP0222285.0 [0,1,0,0,0,0|0,0,0]=1 45 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 CNP0077243.0 [0,1,0,0,0,0|1,0,1]=3 46 B14R1.156 CCCOC(=O)CCC1=CC=CC=C1 CNP0546590.0 [0,1,0,0,0,0|1,0,0]=2 47 B14R1.156 CSC=CC(=O)OCC1=CC=CC=C1 CNP0107090.0 [0,1,0,0,0,0|0,0,2]=3 48 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CNP0036736.0 [0,1,0,0,0,0|1,0,0]=2 49 B14R1.156 O=C(C=CC1=CC=CC=C1)NCCO CNP0209791.0 [0,1,0,0,0,0|2,0,1]=4 50 B14R1.156 O=C(CCC1=CC=CC=C1)OCCO CNP0364264.0 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CNP0242577.0 [0,1,0,0,0,0|1,0,0]=2 52 B14R1.502 CCCC(=O)NNC1=CC=C(C=C1)C CNP0160302.0 [0,1,0,0,0,0|2,0,0]=3 53 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C CNP0157244.0 [0,1,0,0,0,0|2,0,1]=4 54 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O CNP0246158.0 [0,1,0,0,0,0|2,0,1]=4 55 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O CNP0586111.0 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Br CNP0190106.0 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)C CNP0052927.0 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl CNP0111422.0 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1C CNP0298915.0 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1N CNP0070575.0 [0,1,0,0,0,0|2,0,1]=4 61 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1O CNP0145722.0 [0,1,0,0,0,0|2,0,1]=4 62 B14R1.598 CCOC(=O)CCC1=CC=CC=C1O CNP0147042.0 [0,1,0,0,0,0|2,0,0]=3 63 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl CNP0301851.0 [0,1,0,0,0,0|3,0,0]=4 64 B14R1.756 CC=C(C)C(=O)OCC1=CC=CC=C1 CNP0244771.0 [0,1,0,0,0,0|0,0,2]=3 65 B14R1.756 CC[C@@H](C)C(=O)OCC1=CC=CC=C1 CNP0174832.1 [0,1,0,0,0,0|0,0,0]=1 66 B14R1.756 O=C(OCC1=CC=CC=C1)C(=CBr)Br CNP0069557.0 [0,1,0,0,0,0|1,0,2]=4 67 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C CNP0329881.0 [0,1,0,0,0,0|0,0,2]=3 68 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [0,1,0,0,0,0|0,0,1]=2 69 B14R1.818 CC(=O)CC(C)OCC1=CC=CC=C1 CNP0184746.0 [0,1,0,0,0,0|1,0,2]=4 70 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 CNP0227794.0 [0,1,0,0,0,0|0,0,0]=1 71 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 CNP0180499.0 [0,1,0,0,0,0|2,0,1]=4 72 B14R1.818 CC(C)OC(=O)CCC1=CC=CC=C1 CNP0542232.0 [0,1,0,0,0,0|2,0,0]=3 73 B14R1.818 NC(=O)NC(=O)OCC1=CC=CC=C1 CNP0227608.0 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.15 CC[C@@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.3 [0,0,0,1,0,0|1,0,0]=2 75 B14R2.15 CC[C@@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.1 [0,0,0,1,0,0|1,0,0]=2 76 B14R2.15 CC[C@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.4 [0,0,0,1,0,0|1,0,0]=2 77 B14R2.15 CC[C@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.2 [0,0,0,1,0,0|1,0,0]=2 78 B14R2.21 CN1CCCC(O1)C2=CC=CN=C2 CNP0340498.0 [0,0,0,1,0,0|3,0,0]=4 79 B14R2.21 O=C1C=C(SCC1)C2=CC=CC=C2 CNP0044156.0 [0,0,0,1,0,0|2,0,1]=4 80 B14R2.21 O=C1CCC=C(O1)C2=CC=CC=C2 CNP0057103.0 [0,0,0,1,0,0|0,0,2]=3 81 B14R2.21 O=C1CCN[C@H](C1)C2=CC=CC=C2 CNP0102925.1 [0,0,0,1,0,0|2,0,0]=3 82 B14R2.21 O=C1CCO[C@H](C1)C2=CC=CC=C2 CNP0112018.1 [0,0,0,1,0,0|2,0,0]=3 83 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 CNP0071140.0 [0,0,0,1,0,0|1,0,0]=2 84 B14R2.112 CCCC1=CC=C2C=CC=CC2=N1 CNP0276038.0 [0,0,0,1,0,0|2,0,1]=4 85 B14R2.112 CCCC1=CN=C2C=CC=CC2=C1 CNP0572034.0 [0,0,0,1,0,0|3,0,0]=4 86 B14R2.598 CC1N=C(OC1C2=CC=CC=C2)N CNP0480991.0 [0,0,0,1,0,0|2,0,0]=3 87 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.2 [0,0,0,1,0,0|1,0,0]=2 88 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.4 [0,0,0,1,0,0|1,0,0]=2 89 B14R2.598 C[C@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.3 [0,0,0,1,0,0|1,0,0]=2 90 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.1 [0,0,0,1,0,0|1,0,0]=2 91 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,0,0,0,1,0|1,0,2]=4 92 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,0,0,0,1,0|0,0,0]=1 93 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,0,0,0,1,0|0,0,0]=1 94 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,0,0,0,1,0|0,0,2]=3 95 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,0,0,0,1,0|1,0,0]=2 96 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,0,0,0,1,0|1,0,0]=2 97 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,0,0,0,1,0|2,0,0]=3 98 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,0,0,0,1,0|2,1,0]=4 99 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,0,0,0,1,0|3,0,0]=4 100 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,0,0,0,1,0|2,0,0]=3 101 B12R1.51 CC=CC(=O)OCC1=CC=CO1 CNP0506624.0 [0,0,0,0,1,0|1,0,2]=4 102 B12R1.51 CCCC(=O)OCC1=CC=CO1 CNP0002783.0 [0,0,0,0,1,0|1,0,0]=2 103 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,0,0,0,1,0|3,0,0]=4 104 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,0,0,0,1,0|2,1,0]=4 105 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 CNP0403031.0 [0,0,0,0,0,1|1,0,0]=2 106 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [0,0,0,0,0,1|0,0,0]=1 107 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,0,0,0,0,1|2,0,0]=3 108 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,0,0,0,0,1|2,0,0]=3 109 B14R1.520 O=C(CCO)OCCC1=CC=CC=C1 CNP0118006.0 [0,0,0,0,0,1|1,0,0]=2 110 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,0,1,0,0,0|1,0,1]=4 111 B11R0.4 C=CC=CCCOC(=O)CCC CNP0281096.0 [1,0,1,0,0,0|0,0,1]=3 112 B11R0.4 CC=CC=CCOC(=O)CCC CNP0328344.0 [1,0,1,0,0,0|0,0,1]=3 113 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [2,0,0,0,0,0|0,0,2]=4 114 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [2,0,0,0,0,0|1,0,1]=4 115 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [2,0,0,0,0,0|2,0,0]=4 116 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [2,0,0,0,0,0|0,0,1]=3 117 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [2,0,0,0,0,0|0,0,1]=3 118 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [2,0,0,0,0,0|1,0,1]=4 119 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [2,0,0,0,0,0|1,0,1]=4 120 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [2,0,0,0,0,0|1,0,1]=4 121 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [2,0,0,0,0,0|0,0,1]=3 122 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [2,0,0,0,0,0|1,0,1]=4 123 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [2,0,0,0,0,0|1,0,1]=4 124 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [2,0,0,0,0,0|1,0,1]=4 125 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [2,0,0,0,0,0|1,0,1]=4 126 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [2,0,0,0,0,0|1,0,1]=4 127 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [2,0,0,0,0,0|1,0,1]=4 128 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [2,0,0,0,0,0|2,0,0]=4 129 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [2,0,0,0,0,0|1,0,1]=4 130 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [2,0,0,0,0,0|1,0,0]=3 131 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [2,0,0,0,0,0|0,0,0]=2 132 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [2,0,0,0,0,0|1,0,0]=3 133 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [2,0,0,0,0,0|2,0,0]=4 138 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [1,1,0,0,0,0|1,0,1]=4 139 B13R1.9 CCCCOCC1=CC=C(C=C1)O CNP0265781.0 [1,1,0,0,0,0|0,0,1]=3 140 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [1,1,0,0,0,0|1,0,1]=4 141 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [1,1,0,0,0,0|0,0,2]=4 142 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [1,1,0,0,0,0|0,0,1]=3 143 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [1,1,0,0,0,0|1,0,1]=4 144 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [1,1,0,0,0,0|1,0,1]=4 145 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.337 C[C@H](O)CC#CCC1=CC=CC=C1 CNP0166956.1 [1,1,0,0,0,0|1,0,1]=4 147 B13R1.555 CCCCCCC1=CC=CC=C1C CNP0102963.0 [1,1,0,0,0,0|1,0,1]=4 148 B13R1.11 CCC(=O)NN(C)C1=CC=CC=C1 CNP0040741.0 [1,1,0,0,0,0|2,0,0]=4 149 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [1,1,0,0,0,0|1,0,0]=3 160 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [1,1,0,0,0,0|2,0,0]=4 164 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [1,1,0,0,0,0|2,0,0]=4 165 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.351 CC(C)C(=O)C=CC1=CC=CC=C1 CNP0418879.0 [1,1,0,0,0,0|1,0,1]=4 167 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [1,1,0,0,0,0|0,0,0]=2 168 B13R1.351 C[C@H](N)C(=O)/C=C/C1=CC=CC=C1 CNP0295050.1 [1,1,0,0,0,0|1,0,1]=4 169 B13R1.19 CC1=CC=C(C=C1)OC(=O)CCN CNP0457555.0 [0,1,0,0,1,0|1,0,0]=3 170 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)C CNP0277585.0 [0,1,0,0,1,0|0,0,0]=2 171 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O CNP0301144.0 [0,1,0,0,1,0|1,0,0]=3 172 B13R1.19 CCOC(=O)CN1C=CC(=N)C=C1 CNP0474320.0 [0,1,0,0,1,0|2,0,0]=4 173 B13R1.19 CCOC(=O)CN1C=CC(=[N])C=C1 CNP0605739.0 [0,1,0,0,1,0|2,0,0]=4 174 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)O CNP0514800.0 [0,1,0,0,1,0|1,0,0]=3 175 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 CNP0318781.0 [0,1,0,0,1,0|1,0,1]=4 176 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 CNP0596138.0 [0,1,0,0,1,0|1,0,0]=3 177 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 CNP0145799.1 [0,1,0,0,1,0|1,0,0]=3 178 B13R1.79 CSCC(=CC1=CC=CC=C1)C=O CNP0352550.0 [0,1,0,0,1,0|1,0,1]=4 179 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CNP0319392.0 [0,1,0,0,1,0|0,0,0]=2 180 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CNP0003361.0 [0,1,0,0,1,0|0,0,2]=4 181 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,1,0,0,1,0|1,0,0]=3 182 B13R1.470 CCOC(=O)CC1=CC=CC=C1O CNP0175356.0 [0,1,0,0,1,0|1,0,0]=3 183 B13R1.470 CCOC(=O)C[N+]1=CC=CC=C1Br CNP0579716.0 [0,1,0,0,1,0|2,0,0]=4 184 B13R1.153 CCCCC(=O)OCC1=CC=CO1 CNP0202292.0 [0,1,0,0,1,0|1,0,0]=3 185 B13R1.593 CC(C)CC(=O)OCC1=CC=CO1 CNP0002588.0 [0,1,0,0,1,0|1,0,0]=3 186 B15R1.89 CCCC(=O)OCC(C)C1=CC=CC=C1 CNP0003069.0 [0,1,0,0,0,1|0,0,0]=2 187 B15R1.89 CCCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0018655.1 [0,1,0,0,0,1|0,0,0]=2 188 B15R1.157 C=CCCC(=O)NCCC1=CC=CC=C1 CNP0521839.0 [0,1,0,0,0,1|1,0,1]=4 189 B15R1.157 CCCCC(=O)NCCC1=CC=CC=C1 CNP0564432.0 [0,1,0,0,0,1|1,0,0]=3 190 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 CNP0003032.0 [0,1,0,0,0,1|0,0,0]=2 191 B15R1.157 CCCOC(C)OCCC1=CC=CC=C1 CNP0053733.0 [0,1,0,0,0,1|1,0,1]=4 192 B15R1.157 CSC=CC(=O)OCCC1=CC=CC=C1 CNP0158618.0 [0,1,0,0,0,1|0,0,2]=4 193 B15R1.157 O=C(CCCO)OCCC1=CC=CC=C1 CNP0286415.0 [0,1,0,0,0,1|0,0,0]=2 194 B15R1.809 CCCC(=O)OC(C)CC1=CC=CC=C1 CNP0002894.0 [0,1,0,0,0,1|0,0,0]=2 195 B15R1.826 CCOC(=O)C(O)CCC1=CC=CC=C1 CNP0524257.0 [0,1,0,0,0,1|2,0,0]=4 196 B15R1.1321 CC=C(C)C(=O)OCCC1=CC=CC=C1 CNP0081257.0 [0,1,0,0,0,1|0,0,2]=4 197 B15R1.1321 CCC(C)C(=O)OCCC1=CC=CC=C1 CNP0079910.0 [0,1,0,0,0,1|0,0,0]=2 198 B15R1.1321 CC[C@@H](C)C(=O)NCCC1=CC=CC=C1 CNP0322615.2 [0,1,0,0,0,1|1,0,0]=3 199 B15R1.1321 CC[C@H](C)C(=O)NCCC1=CC=CC=C1 CNP0322615.1 [0,1,0,0,0,1|1,0,0]=3 200 B15R1.9084 CC(=CC(=O)OCCC1=CC=CC=C1)C CNP0103341.0 [0,1,0,0,0,1|0,0,2]=4 201 B15R1.9084 CC(C)CC(=O)NCCC1=CC=CC=C1 CNP0172321.0 [0,1,0,0,0,1|1,0,0]=3 202 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 CNP0350208.0 [0,1,0,0,0,1|0,0,0]=2 203 B15R1.9084 CC(O)CC(=O)NCCC1=CC=CC=C1 CNP0408094.0 [0,1,0,0,0,1|1,0,0]=3 204 B15R1.9084 CC(O)CC(=O)NOCC1=CC=CC=C1 CNP0071182.0 [0,1,0,0,0,1|0,0,0]=2 205 B15R1.578 C=C(C(=O)SCC)[C@@H](O)C1=CC=CC=C1 CNP0057742.2 [0,2,0,0,0,0|2,0,0]=4 206 B15R1.578 C=C(C(=O)SCC)[C@H](O)C1=CC=CC=C1 CNP0057742.1 [0,2,0,0,0,0|2,0,0]=4 207 B15R1.578 CCOC(=O)[C@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0324519.1 [0,2,0,0,0,0|2,0,0]=4 208 B15R1.1076 CC(C)CC(=O)NN(C)C1=CC=CC=C1 CNP0069875.0 [0,2,0,0,0,0|2,0,0]=4 209 B15R1.1257 CCCC(=O)OC(CC)C1=CC=CC=C1 CNP0042257.0 [0,2,0,0,0,0|0,0,0]=2 210 B15R1.3722 CCOC(=O)C[C@H](O)C1=CC=CC=C1C CNP0296270.1 [0,2,0,0,0,0|2,0,0]=4 211 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0395861.2 [0,2,0,0,0,0|2,0,0]=4 212 B15R1.48 CCOC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0203533.1 [0,2,0,0,0,0|2,0,0]=4 213 B15R1.496 CC(C)CC(=O)C(=CC1=CC=CC=C1)O CNP0071677.0 [0,2,0,0,0,0|1,0,1]=4 214 B15R1.496 CC(C)CC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0324298.1 [0,2,0,0,0,0|1,0,0]=3 215 B15R1.496 CC(C)CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0324298.2 [0,2,0,0,0,0|1,0,0]=3 216 B15R1.640 CCCC(=O)C(CC)CC1=CC=CC=C1 CNP0290194.0 [0,2,0,0,0,0|1,0,0]=3 217 B15R1.640 CCOC(=O)C(CC)CC1=CC=CC=C1 CNP0148060.0 [0,2,0,0,0,0|2,0,0]=4 218 B15R1.640 CCOC(=O)[C@H](CC1=CC=CC=C1)NO CNP0231565.1 [0,2,0,0,0,0|2,0,0]=4 219 B15R1.10540 CCOC(=O)[C@@](C)(N)CC1=CC=CC=C1 CNP0501305.1 [0,2,0,0,0,0|2,0,0]=4 220 B15R1.10540 CCOC(=O)[C@](C)(N)CC1=CC=CC=C1 CNP0501305.2 [0,2,0,0,0,0|2,0,0]=4 221 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 CNP0185938.0 [0,2,0,0,0,0|0,0,0]=2 222 B15R1.78 CCCCOC(=O)C=CC1=CC=CC=C1 CNP0358950.0 [0,2,0,0,0,0|1,0,1]=4 223 B15R1.78 COCCOC(C)OCC1=CC=CC=C1 CNP0002860.0 [0,2,0,0,0,0|1,0,1]=4 224 B15R1.78 CSCCNC(=O)C=CC1=CC=CC=C1 CNP0304825.0 [0,2,0,0,0,0|1,0,1]=4 225 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 CNP0113027.0 [0,2,0,0,0,0|0,0,0]=2 226 B15R1.741 CCC(C)OC(=O)CCC1=CC=CC=C1 CNP0493756.0 [0,2,0,0,0,0|1,0,0]=3 227 B15R1.5919 CC(=O)CNC(=O)OCC1=CC=CC=C1 CNP0495564.0 [0,2,0,0,0,0|0,0,1]=3 228 B15R1.5919 CC(C)CNC(=O)C=CC1=CC=CC=C1 CNP0581871.0 [0,2,0,0,0,0|1,0,1]=4 229 B15R1.5919 CC(C)COC(=O)C=CC1=CC=CC=C1 CNP0079856.0 [0,2,0,0,0,0|1,0,1]=4 230 B15R1.5919 CC(C)COC(=O)CCC1=CC=CC=C1 CNP0591880.0 [0,2,0,0,0,0|1,0,0]=3 231 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 CNP0522918.0 [0,2,0,0,0,0|0,0,1]=3 232 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 CNP0610123.0 [0,2,0,0,0,0|1,0,1]=4 233 B15R1.793 CCCC(=O)OCC1=CC=C(C=C1)OC CNP0281073.0 [0,2,0,0,0,0|0,0,0]=2 234 B15R1.793 CCOC(=O)CCC1=CC=C(C=C1)OC CNP0481862.0 [0,2,0,0,0,0|2,0,0]=4 235 B15R1.3678 CC(=C(C)C(=O)OCC1=CC=CC=C1)C CNP0242028.0 [0,2,0,0,0,0|0,0,2]=4 236 B15R1.3678 CC(O)C(C)C(=O)C=CC1=CC=CC=C1 CNP0540590.0 [0,2,0,0,0,0|1,0,1]=4 237 B13R2.3 C1=CC=C(C=C1)C2CCCCC2 CNP0320256.0 [1,0,0,1,0,0|1,0,1]=4 238 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CNP0501853.0 [1,0,0,1,0,0|2,0,0]=4 239 B13R2.1028 CCCC[C@@H]1CC2=CC=CC=C12 CNP0172495.2 [1,0,0,1,0,0|1,0,1]=4 240 B13R2.1028 CCCC[C@H]1CC2=CC=CC=C12 CNP0172495.1 [1,0,0,1,0,0|1,0,1]=4 241 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [1,0,0,1,0,0|2,0,0]=4 242 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [1,0,0,1,0,0|2,0,0]=4 243 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [1,0,0,1,0,0|1,0,0]=3 244 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [1,0,0,1,0,0|1,0,0]=3 245 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [1,0,0,1,0,0|1,1,0]=4 246 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [1,0,0,1,0,0|1,1,0]=4 247 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [1,0,0,1,0,0|1,1,0]=4 248 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [1,0,0,1,0,0|1,0,0]=3 249 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [1,0,0,1,0,0|2,0,0]=4 250 B13R2.135 O=CC1C(=O)CC2=CC=CC=C12 CNP0532845.0 [0,0,0,1,1,0|1,0,1]=4 251 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,0,0,1,1,0|0,0,2]=4 252 B13R2.328 C[C@@H]1NC(=O)CC2=CC=NC=C12 CNP0192183.1 [0,0,0,1,1,0|2,0,0]=4 253 B15R2.31 O=C1C=C(CCC1)NC2=CC=CC=C2 CNP0407968.0 [0,0,0,1,0,1|1,0,1]=4 254 B15R2.325 O=C1C[C@@H]([C@@H](N1)CC2=CC=CC=C2)O CNP0265893.1 [0,0,0,1,0,1|2,0,0]=4 255 B15R2.325 O=C1C[C@H]([C@H](N1)CC2=CC=CC=C2)O CNP0265893.2 [0,0,0,1,0,1|2,0,0]=4 256 B15R2.389 CC1NC(=O)COC1C2=CC=CC=C2 CNP0533706.0 [0,0,0,1,0,1|1,0,0]=3 257 B15R2.1342 CCOC(=O)C1OC1C2=CC=CC=C2 CNP0003356.0 [0,0,0,1,0,1|1,0,0]=3 258 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.4 [0,0,0,1,0,1|2,0,0]=4 259 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.2 [0,0,0,1,0,1|2,0,0]=4 260 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.3 [0,0,0,1,0,1|2,0,0]=4 261 B15R2.1342 CCOC(=O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.1 [0,0,0,1,0,1|2,0,0]=4 262 B15R2.27 C=C1C[C@@H](O[C@H](C1)C2=CC=CC=C2)C CNP0365623.1 [0,1,0,1,0,0|2,0,0]=4 263 B15R2.27 C=C1C[C@H](O[C@@H](C1)C2=CC=CC=C2)C CNP0365623.2 [0,1,0,1,0,0|2,0,0]=4 264 B15R2.27 C=C1C[C@H](O[C@H](C1)C)C2=CC=CC=C2 CNP0365623.3 [0,1,0,1,0,0|2,0,0]=4 265 B15R2.27 C=C1C[C@H](O[C@H](C1)C2=CC=CC=C2)C CNP0365623.4 [0,1,0,1,0,0|2,0,0]=4 266 B15R2.886 CCCC1=CC2=CC=CC=C2C(=O)O1 CNP0140490.0 [0,1,0,1,0,0|1,0,1]=4 267 B15R2.886 CCCC1=NC2=CC=CC=C2C(=O)O1 CNP0407619.0 [0,1,0,1,0,0|1,0,1]=4 268 B15R2.38 O=C1CCCCC1NC2=CC=CC=C2 CNP0588216.0 [0,1,0,1,0,0|2,0,0]=4 269 B15R2.1356 CCOC(=O)C1CC2=CC=CC=C2O1 CNP0003388.0 [0,1,0,1,0,0|2,0,0]=4 270 B15R2.33 CC1=C(NC(=O)CC1)C2=CC=CC=C2 CNP0358281.0 [0,1,0,1,0,0|1,0,1]=4 271 B15R2.28 O=C1C=CC[C@H](O1)C2=CC=C(C=C2)O CNP0306196.1 [0,1,0,1,0,0|0,0,2]=4 272 B15R2.28 O=C1CCC[C@@H](O1)C2=CC=C(C=C2)O CNP0270866.1 [0,1,0,1,0,0|0,0,0]=2 273 B15R2.321 C[C@@H]1[C@H](OC(=O)N1C)C2=CC=CC=C2 CNP0277313.2 [0,1,0,1,0,0|1,0,0]=3 274 B15R2.321 C[C@H]1[C@@H](OC(=O)N1C)C2=CC=CC=C2 CNP0277313.3 [0,1,0,1,0,0|1,0,0]=3 275 B15R2.321 C[C@H]1[C@H](OC(=O)N1C)C2=CC=CC=C2 CNP0277313.1 [0,1,0,1,0,0|1,0,0]=3 276 B15R2.17 N#CC1=CCC[C@@H](O1)C2=CC=CC=C2 CNP0026518.1 [0,1,0,1,0,0|1,0,1]=4 277 B15R2.17 N#CC1=CCC[C@H](O1)C2=CC=CC=C2 CNP0026518.2 [0,1,0,1,0,0|1,0,1]=4 278 B15R3.4266 C1=CC=C2N=C3CCCN3CC2=C1 CNP0387696.0 [0,0,0,2,0,0|2,0,0]=4 279 B15R3.794 O=C1CCC2=CC=CC3=C2N1CC3 CNP0021291.0 [0,0,0,2,0,0|2,0,0]=4 280 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [1,0,0,0,1,0|2,0,0]=4 281 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [1,0,0,0,1,0|1,0,0]=3 282 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [1,0,0,0,1,0|1,1,0]=4 283 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [1,0,0,0,1,0|0,0,0]=2 284 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [1,0,0,0,1,0|1,0,0]=3 285 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [1,0,0,0,1,0|0,0,0]=2 286 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,0,0,0,1,0|1,0,1]=4 287 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [1,0,0,0,1,0|1,0,0]=3 288 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [1,0,0,0,1,0|1,0,0]=3 289 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [1,0,0,0,1,0|1,0,1]=4 290 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [1,0,0,0,1,0|2,0,0]=4 291 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [1,0,0,0,1,0|2,0,0]=4 292 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,0,0,0,2,0|0,0,0]=2 293 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,0,0,0,2,0|0,1,0]=3 294 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,0,0,0,2,0|1,0,0]=3 295 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,0,0,0,2,0|2,0,0]=4 296 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,0,0,0,2,0|2,0,0]=4 297 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,0,0,0,2,0|1,0,0]=3 298 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,0,0,0,2,0|1,0,0]=3 299 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,0,0,0,2,0|1,0,1]=4 300 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 CNP0002420.0 [0,0,0,0,0,2|0,0,0]=2