0 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 3024AC [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 CCCC(O)C#CC1=CC=CC=C1 1007AQ [0,0,0,0,0,0|1,0,3]=4 2 B13R1.42 CCOC(=O)CCC1=CC=CC=N1 2599AB [0,0,0,0,0,0|3,0,0]=3 3 B13R1.42 CCOC(=O)CCC1=CN=CC=C1 6709AJ [0,0,0,0,0,0|3,0,0]=3 4 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 0809AP [0,0,0,0,0,0|2,0,1]=3 5 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 1847AB [0,0,0,0,0,0|3,0,1]=4 6 B13R1.42 CCOC(=O)\C=C\C1=CN=CC=C1 2787AB [0,0,0,0,0,0|3,0,1]=4 7 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 7563AH [0,0,0,0,0,0|1,0,0]=1 8 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 7948AC [0,0,0,0,0,0|2,0,1]=3 9 B12R1.8 CCCCCCC1=NC=CC=C1 2237AA [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 CCCCCC[N+]1=CC=CC=C1 4881AL [1,0,0,0,0,0|2,0,1]=4 11 B12R1.8 CCCCCNC1=CC=CC=C1 8652AL [1,0,0,0,0,0|2,0,1]=4 12 B12R1.8 CCCCOCC1=CC=CC=C1 7140AL [1,0,0,0,0,0|0,0,1]=2 13 B12R1.8 ClCCCCCC1=CC=CC=C1 4694AH [1,0,0,0,0,0|2,0,1]=4 14 B12R1.8 ClCCCOCC1=CC=CC=C1 2353AB [1,0,0,0,0,0|1,0,1]=3 15 B12R1.8 OCCCNCC1=CC=CC=C1 6427AB [1,0,0,0,0,0|2,0,1]=4 16 B12R1.27 COC(=O)C#CC1=CC=CC=C1 8246AL [1,0,0,0,0,0|2,0,1]=4 17 B12R1.27 COC(=O)CCC1=NC=CC=C1 6978AJ [1,0,0,0,0,0|3,0,0]=4 18 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 2113AB [1,0,0,0,0,0|2,0,0]=3 19 B12R1.27 O=C(CO)OCC1=CC=CC=C1 3173AB [1,0,0,0,0,0|1,0,0]=2 20 B14R1.29 CC(NC(=O)CCCl)C1=CC=CC=C1 9956AE [0,1,0,0,0,0|2,0,0]=3 21 B14R1.29 CCOC(=O)CC(N)C1=CC=CN=C1 6726AJ [0,1,0,0,0,0|3,0,0]=4 22 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 8511AB [0,1,0,0,0,0|2,0,0]=3 23 B14R1.60 CN(CC1=CC=CC=C1)C(=O)CCCl 0434AE [0,1,0,0,0,0|2,0,0]=3 24 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 3559AA [0,1,0,0,0,0|0,0,2]=3 25 B14R1.156 CCCOC(=O)\C=C\C1=CC=CC=C1 Z3644 [0,1,0,0,0,0|1,0,1]=3 26 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 Y9906 [0,1,0,0,0,0|1,0,0]=2 27 B14R1.502 CC1=CC=C(CNC(=O)CCCl)C=C1 8266AC [0,1,0,0,0,0|2,0,0]=3 28 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 9531AF [0,1,0,0,0,0|2,0,1]=4 29 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 X5366 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 8419AD [0,1,0,0,0,0|3,0,0]=4 31 B14R1.502 CCOC(=O)COC1=CC=C(Br)C=C1 X5360 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 7840AL [0,1,0,0,0,0|3,0,0]=4 33 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 4894AE [0,1,0,0,0,0|3,0,0]=4 34 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 X5222 [0,1,0,0,0,0|2,0,1]=4 35 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 1292AE [0,1,0,0,0,0|2,0,1]=4 36 B14R1.598 O=C(CCCl)NCC1=C(F)C=CC=C1 2354AF [0,1,0,0,0,0|2,0,0]=3 37 B14R1.756 C[C@@H](OCC1=CC=CC=C1)[C@H](N)CO 8123AA [0,1,0,0,0,0|2,0,1]=4 38 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 6645AH [0,1,0,0,0,0|1,0,0]=2 39 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 5996AF [0,1,0,0,0,0|0,0,0]=1 40 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 V4265 [0,0,0,1,0,0|1,0,0]=2 41 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8706AC [0,0,0,1,0,0|2,0,0]=3 42 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8709AC [0,0,0,1,0,0|2,0,0]=3 43 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 4282AB [0,0,0,1,0,0|1,0,0]=2 44 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8428AB [0,0,0,1,0,0|1,0,0]=2 45 B14R2.101 C1=CC=C(COC2CCCC2)C=C1 V5825 [0,0,0,1,0,0|1,0,1]=3 46 B14R2.101 C1=CC=C(CO[C@@H]2CCNC2)C=C1 W9561 [0,0,0,1,0,0|2,0,1]=4 47 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 2222AC [0,0,0,1,0,0|1,0,0]=2 48 B12R1.32 CCCC(=O)CC1=CC=CC=C1 U242 [0,0,0,0,1,0|0,0,0]=1 49 B12R1.32 CCOC(=O)CC1=NC=CC=N1 W7517 [0,0,0,0,1,0|3,0,0]=4 50 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [0,0,0,0,1,0|3,0,0]=4 51 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 2406AL [0,0,0,0,1,0|2,0,0]=3 52 B14R1.520 CCOC(=O)CNCC1=CC=CC=N1 8329AL [0,0,0,0,0,1|3,0,0]=4 53 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 3549AB [0,0,0,0,0,1|1,0,0]=2 54 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 1007AL [0,0,0,0,0,1|2,0,1]=4 55 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 Z5043 [0,0,0,0,0,1|2,0,0]=3 56 B14R1.520 CCOC(C)OCCC1=CC=CC=C1 2095AB [0,0,0,0,0,1|2,0,1]=4 57 B14R1.520 OCCC(O)COCC1=CC=CC=C1 6413AL [0,0,0,0,0,1|1,0,2]=4 58 B11R1.28 C=CCOCC1=CC=CC=C1 3133AL [2,0,0,0,0,0|0,0,2]=4 59 B11R1.28 CCCC#CC1=CC=CC=C1 4951AL [2,0,0,0,0,0|0,0,2]=4 60 B11R1.28 CCCCCC1=CC=NC=C1 3027AB [2,0,0,0,0,0|1,0,1]=4 61 B11R1.28 CCCCCC1=NC=CC=C1 S154 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [2,0,0,0,0,0|1,0,1]=4 63 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [2,0,0,0,0,0|1,0,1]=4 64 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [2,0,0,0,0,0|1,0,1]=4 65 B11R1.91 C=C(C)OCC1=CC=CC=C1 7143AL [2,0,0,0,0,0|1,0,0]=3 66 B11R1.91 CC(=O)C#CC1=CC=CC=C1 W3943 [2,0,0,0,0,0|1,0,1]=4 67 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [2,0,0,0,0,0|2,0,0]=4 68 B11R1.91 CC(=O)NCC1=CC=NC=C1 8097AD [2,0,0,0,0,0|2,0,0]=4 69 B13R1.9 CCCCNCC1=CC=C(C)C=C1 5184AD [1,1,0,0,0,0|1,0,1]=4 70 B13R1.24 CCCCCC(O)C1=CC=CC=C1 4948AL [1,1,0,0,0,0|1,0,1]=4 71 B13R1.28 BrCCCCCCC1=CC=CC=C1 2694AB [1,1,0,0,0,0|1,0,1]=4 72 B13R1.28 ClCCCCCCC1=CC=CC=C1 4696AH [1,1,0,0,0,0|1,0,1]=4 73 B13R1.44 CCCCC(=O)CC1=CC=CC=C1 2160AB [1,1,0,0,0,0|1,0,1]=4 74 B13R1.337 CC(C)CCOCC1=CC=CC=C1 6005AF [1,1,0,0,0,0|0,0,1]=3 75 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 9195AB [1,1,0,0,0,0|1,0,1]=4 76 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 8687AB [1,1,0,0,0,0|1,0,1]=4 77 B13R1.718 OCC(O)COCC1=CC=CC=C1 6578AB [1,1,0,0,0,0|1,0,1]=4 78 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 3750AD [1,1,0,0,0,0|2,0,0]=4 79 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 V1502 [1,1,0,0,0,0|0,0,0]=2 80 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y6709 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.14 CC1=CC=C(CNC(=O)CCl)C=C1 8396AE [1,1,0,0,0,0|2,0,0]=4 82 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 W8280 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 6984AJ [1,1,0,0,0,0|2,0,0]=4 84 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 4413AB [1,1,0,0,0,0|2,0,0]=4 85 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 W3312 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 3534AL [1,1,0,0,0,0|2,0,0]=4 87 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 X5331 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 W4488 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 W5014 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 1188AD [1,1,0,0,0,0|1,0,0]=3 91 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 4803AB [1,1,0,0,0,0|1,0,0]=3 92 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 E972 [1,1,0,0,0,0|0,0,0]=2 93 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 4188AL [1,1,0,0,0,0|0,0,0]=2 94 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl 8202AD [1,1,0,0,0,0|1,0,0]=3 95 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 0166AC [1,1,0,0,0,0|2,0,0]=4 96 B13R1.528 O=C(CCl)NCC1=C(F)C=CC=C1 2353AF [1,1,0,0,0,0|2,0,0]=4 97 B13R1.19 CCOC(=O)CC1=CC=C(I)C=C1 X6435 [0,1,0,0,1,0|1,0,0]=3 98 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 Y6942 [0,1,0,0,1,0|2,0,0]=4 99 B13R1.19 CCOC(=O)NC1=CC=C(Cl)C=C1 8710AD [0,1,0,0,1,0|2,0,0]=4 100 B13R1.19 C\C=C\C(=O)OC1=CC=C(C)C=C1 7495AL [0,1,0,0,1,0|0,0,2]=4 101 B13R1.19 O=C(CCCl)NC1=CC=C(Br)C=C1 6475AD [0,1,0,0,1,0|2,0,0]=4 102 B13R1.20 CCOC(=O)CC1=CC(O)=CC=C1 6698AH [0,1,0,0,1,0|1,0,0]=3 103 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=N1 6464AC [0,1,0,0,1,0|2,0,0]=4 104 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 8719AB [0,1,0,0,1,0|1,0,0]=3 105 B13R1.20 CCOC(=O)CC1=NC(C)=CC=C1 8104AB [0,1,0,0,1,0|2,0,0]=4 106 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 W8039 [0,1,0,0,1,0|2,0,0]=4 107 B13R1.20 CCOC(=O)NC1=CC=CC(Cl)=C1 W4462 [0,1,0,0,1,0|2,0,0]=4 108 B13R1.20 O=C(CCCl)NC1=CC(Cl)=CC=C1 4711AF [0,1,0,0,1,0|2,0,0]=4 109 B13R1.20 O=C(CCCl)NC1=CC(F)=CC=C1 7216AC [0,1,0,0,1,0|2,0,0]=4 110 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 Z8724 [0,1,0,0,1,0|2,0,0]=4 111 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 V6822 [0,1,0,0,1,0|1,0,0]=3 112 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 U405 [0,1,0,0,1,0|0,0,0]=2 113 B13R1.470 CC1=CC=CC=C1NC(=O)CCCl 6553AD [0,1,0,0,1,0|2,0,0]=4 114 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br Z7562 [0,1,0,0,1,0|1,0,0]=3 115 B13R1.470 CCOC(=O)CC1=C(Cl)N=CC=C1 5273AD [0,1,0,0,1,0|2,0,0]=4 116 B13R1.470 CCOC(=O)CC1=NC=CC=C1Br 0169AB [0,1,0,0,1,0|2,0,0]=4 117 B13R1.470 O=C(CCCl)NC1=CC=CC=C1F 1099AE [0,1,0,0,1,0|2,0,0]=4 118 B13R1.153 CCCCC(=O)OCC1=CC=CO1 M511 [0,1,0,0,1,0|1,0,0]=3 119 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 1323AA [0,1,0,0,0,1|2,0,0]=4 120 B15R1.11 CCOC(=O)CCCC1=CC=C(N)C=C1 7579AA [0,1,0,0,0,1|2,0,0]=4 121 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 W8071 [0,1,0,0,0,1|2,0,0]=4 122 B15R1.826 CCC[C@@H](N)C(=O)OCC1=CC=CC=C1 6576AH [0,1,0,0,0,1|1,0,1]=4 123 B15R1.826 CCOC(=O)[C@H](N)CCC1=CC=CC=C1 W9350 [0,1,0,0,0,1|2,0,0]=4 124 B15R1.1321 CON(C)C(=O)COCC1=CC=CC=C1 1077AA [0,1,0,0,0,1|2,0,0]=4 125 B15R1.48 CCOC(=O)C(N)CC1=CC=C(O)C=C1 3332AL [0,2,0,0,0,0|2,0,0]=4 126 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(F)C=C1 V3492 [0,2,0,0,0,0|2,0,0]=4 127 B15R1.640 CCOC(=O)C(C#N)CC1=CC=CC=C1 3347AL [0,2,0,0,0,0|2,0,0]=4 128 B15R1.78 C#CCCNC(=O)OCC1=CC=CC=C1 X6982 [0,2,0,0,0,0|0,0,1]=3 129 B15R1.78 CCCCOC(=O)\C=C\C1=CC=CC=C1 Y6933 [0,2,0,0,0,0|1,0,1]=4 130 B15R1.78 NCCCCC(=O)OCC1=CC=CC=C1 5789AH [0,2,0,0,0,0|0,0,0]=2 131 B15R1.78 O=C(NCCCBr)OCC1=CC=CC=C1 V5732 [0,2,0,0,0,0|0,0,0]=2 132 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 3843AJ [0,2,0,0,0,0|1,0,0]=3 133 B15R1.741 C[C@H](CO)NC(=O)OCC1=CC=CC=C1 9213AB [0,2,0,0,0,0|1,0,0]=3 134 B15R1.5919 CC(=O)ONC(=O)OCC1=CC=CC=C1 8698AL [0,2,0,0,0,0|1,0,1]=4 135 B15R1.5919 CC(C)COC(=O)\C=C\C1=CC=CC=C1 V0578 [0,2,0,0,0,0|1,0,1]=4 136 B15R1.5919 NC(=S)CNC(=O)OCC1=CC=CC=C1 4262AE [0,2,0,0,0,0|1,0,1]=4 137 B15R1.3678 C[C@@H](O)[C@@H](N)C(=O)OCC1=CC=CC=C1 6655AH [0,2,0,0,0,0|0,0,0]=2 138 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCC1=CC=CC=C1 3950AB [0,2,0,0,0,0|0,0,0]=2 139 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CC=C1 3873AL [0,2,0,0,0,0|2,0,0]=4 140 B13R2.3 C1=CC=C(C2CC=CCC2)C=C1 6668AL [1,0,0,1,0,0|1,0,1]=4 141 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 4288AA [1,0,0,1,0,0|1,0,1]=4 142 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 1590AL [1,0,0,1,0,0|1,0,1]=4 143 B13R2.1613 CCC1NCCC2=C1C=CC=C2 2180AB [1,0,0,1,0,0|2,0,0]=4 144 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 V8838 [1,0,0,1,0,0|1,0,1]=4 145 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 4216AL [1,0,0,1,0,0|1,0,0]=3 146 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 4868AB [1,0,0,1,0,0|1,0,0]=3 147 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O X9821 [1,0,0,1,0,0|2,0,0]=4 148 B13R2.26 CCCC1=NC2=CC=CC=C2N1 W6884 [0,0,0,1,1,0|2,0,0]=4 149 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 Z6277 [0,0,0,1,1,0|2,0,0]=4 150 B13R2.135 CC[N+]1=C(C)OC2=C1C=CC=C2 6041AL [0,0,0,1,1,0|2,0,0]=4 151 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 0305AC [0,0,0,1,1,0|2,0,0]=4 152 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 W6051 [0,0,0,1,0,1|1,0,0]=3 153 B15R2.38 O=C1CCCCN1CC2=CC=CC=C2 6541AB [0,1,0,1,0,0|1,0,0]=3 154 B15R2.38 O=C1CCCC\C1=C/C2=CC=CC=C2 5509AL [0,1,0,1,0,0|1,0,1]=4 155 B15R2.1356 CCOC(=O)C1CC2=C(C=CC=C2)N1 7878AL [0,1,0,1,0,0|2,0,0]=4 156 B15R2.2195 C1=CC=C(COC2CCNCC2)C=C1 V7842 [0,1,0,1,0,0|1,0,1]=4 157 B15R2.4083 O=C1C(Br)CCN1CC2=CC=CC=C2 9656AE [0,1,0,1,0,0|1,0,0]=3 158 B15R2.327 CC1(C)OC(=O)N[C@H]1C2=CC=CC=C2 8593AA [0,1,0,1,0,0|2,0,0]=4 159 B11R1.25 CCC(=S)OCC1=CC=CO1 M513 [1,0,0,0,1,0|1,1,0]=4 160 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [1,0,0,0,1,0|1,0,0]=3 161 B11R1.40 COC(=O)CC1=CC=CN=C1 X5277 [1,0,0,0,1,0|2,0,0]=4 162 B11R1.40 O=C(CBr)NC1=CC=CC=C1 7553AB [1,0,0,0,1,0|2,0,0]=4 163 B11R1.40 O=C(CCl)NC1=CC=CC=C1 V6785 [1,0,0,0,1,0|2,0,0]=4 164 B11R1.16 CCCC(=O)C1=CC=NC=C1 8728AA [0,0,0,0,2,0|1,0,0]=3 165 B11R1.16 CCCC(=O)C1=CN=CC=C1 8727AA [0,0,0,0,2,0|1,0,0]=3 166 B11R1.16 CCCC(=O)C1=NC=CC=C1 V4534 [0,0,0,0,2,0|1,0,0]=3 167 B11R1.16 CCCC(=O)C1=NC=CN=C1 9293AB [0,0,0,0,2,0|2,0,0]=4 168 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [0,0,0,0,2,0|0,0,2]=4 169 B11R1.16 CCNC(=O)C1=CC=CN=C1 8551AL [0,0,0,0,2,0|2,0,0]=4 170 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 1965AB [0,0,0,0,2,0|2,0,0]=4 171 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [0,0,0,0,2,0|2,0,0]=4 172 B15R1.778 CCCC(=O)OC\C=C\C1=CC=CC=C1 6117AF [0,0,0,0,0,2|0,0,0]=2