0 B9R0.2 CC(C)NCCCCCN 5224AD [0,0,0,0,0,0|3,0,0]=3 1 B9R0.2 CC(C)NCCCCCO 6718AL [0,0,0,0,0,0|3,0,0]=3 2 B9R0.2 CCCCCCCB(O)O Y5025 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 CCCCCCCC(C)C 5737AL [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 CCCCCCCC(N)=O 7980AF [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,0,0,0,0,0|1,0,1]=2 6 B9R0.2 CCCCCCOC(C)=O 7968AF [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 COCCOCCC(=O)O X3859 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.2 C\C=C\CCCCB(O)O N891 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 NCCCCCCC(=O)O X4768 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.4 CCCCCCCCF V6056 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.4 CCCCCCON=O 8053AL [1,0,0,0,0,0|2,0,1]=4 12 B8R0.4 CCCCCOCCO 6511AH [1,0,0,0,0,0|1,0,0]=2 13 B8R0.4 CCCCNCCC#N 8245AE [1,0,0,0,0,0|2,0,1]=4 14 B8R0.4 CCCCNCCCC W7485 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.4 CCCCOCCCN P793 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.4 CCCC\C=C/CCO 7442AL [1,0,0,0,0,0|0,0,2]=3 17 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|0,0,2]=3 18 B8R0.4 ClCCCCCCCBr 4782AL [1,0,0,0,0,0|2,0,0]=3 19 B8R0.4 N#CCCCCCCBr L877 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.7 CCCCCCC(=O)[O-] 7832AL [1,0,0,0,0,0|1,0,2]=4 21 B8R0.7 CCCCCCC(C)O Z6063 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.7 NCCCCCC(=O)O 5982AB [1,0,0,0,0,0|2,0,1]=4 23 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [0,1,0,0,0,0|1,0,2]=4 24 B10R0.4 CC(C)CCCCCCCO 0582AC [0,1,0,0,0,0|1,0,0]=2 25 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,1,0,0,0,0|1,0,2]=4 26 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,1,0,0,0,0|1,0,2]=4 27 B10R0.4 CCCCCCCCC(C)C Z5044 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.4 CCCCCCCCC(C)O 5773AF [0,1,0,0,0,0|0,0,0]=1 29 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,1,0,0,0,0|1,0,2]=4 30 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,1,0,0,0,0|0,0,3]=4 31 B10R0.22 CCCCCCCS(=O)(=O)[O-] 0617AB [0,1,0,0,0,0|2,0,1]=4 32 B10R0.22 CCCCCCOS(C)(=O)=O 8051AL [0,1,0,0,0,0|2,0,1]=4 33 B10R0.74 C=CC(O)CCCCCCC U552 [0,1,0,0,0,0|0,0,1]=2 34 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [0,1,0,0,0,0|1,0,2]=4 35 B10R0.74 CCCCCCCC(O)CC 6031AL [0,1,0,0,0,0|0,0,0]=1 36 B10R0.74 CCCCCCCC(O)CO 4474AL [0,1,0,0,0,0|0,0,0]=1 37 B10R0.74 COC(=O)CCCCCCBr W6840 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.74 COC(=O)CCCCCCN W3908 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [0,1,0,0,0,0|1,0,1]=3 40 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [0,1,0,0,0,0|1,0,1]=3 41 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,1,0,0,0,0|2,0,1]=4 42 B10R0.97 CC(=O)CCCCCC(=O)O X3704 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.10 CCCC1CCCC(=O)O1 R377 [0,0,0,1,0,0|1,0,1]=3 44 B10R1.10 CCNC1CCCN(C)C1 6818AJ [0,0,0,1,0,0|3,0,0]=4 45 B10R1.16 CCNCC1CCN(C)C1 4485AF [0,0,0,1,0,0|3,0,0]=4 46 B10R1.18 CC(C)CN1CCNCC1 O185 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.18 CC(N)CN1CCOCC1 4556AE [0,0,0,1,0,0|3,0,0]=4 48 B10R1.18 O=C(O)CC1CCCNC1 V7579 [0,0,0,1,0,0|2,0,1]=4 49 B10R1.18 O=C(O)CC1CCCNC1 W8079 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.18 O=C(O)CC1CCNCC1 N549 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.18 O=C(O)CN1CCCCC1 0202AE [0,0,0,1,0,0|2,0,1]=4 52 B10R1.18 OB(O)CC1CCCCC1 X0676 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.61 CC(C)N1CCNCC1C 9897AH [0,0,0,1,0,0|3,0,0]=4 54 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N W5390 [0,0,0,1,0,0|3,0,0]=4 55 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N 4803AC [0,0,0,1,0,0|3,0,0]=4 56 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 1036AL [0,0,0,1,0,0|2,0,1]=4 57 B10R1.66 O=C(O)CCN1CCCC1 1858AC [0,0,0,1,0,0|2,0,1]=4 58 B10R1.66 O=C(O)COC1CCCC1 5276AJ [0,0,0,1,0,0|2,0,1]=4 59 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|0,0,2]=3 60 B10R1.348 O=C(O)C1CCCCCN1 7360AB [0,0,0,1,0,0|2,0,1]=4 61 B7R0.1 CCCC#CCCC 7932AF [2,0,0,0,0,0|0,0,2]=4 62 B7R0.1 CCCC#CCCO 5337AH [2,0,0,0,0,0|0,0,2]=4 63 B7R0.1 CCCCC#CCO V0602 [2,0,0,0,0,0|0,0,2]=4 64 B7R0.1 CCCCCCOC 8052AL [2,0,0,0,0,0|1,0,0]=3 65 B7R0.1 CCCCSCCO 5039AL [2,0,0,0,0,0|1,0,0]=3 66 B7R0.1 CCCNCCCN 1645AB [2,0,0,0,0,0|2,0,0]=4 67 B7R0.1 CCC\C=C/CCC 7451AL [2,0,0,0,0,0|0,0,2]=4 68 B7R0.1 CCNCCCCO 2370AE [2,0,0,0,0,0|1,0,0]=3 69 B7R0.1 CC\C=C/CCCO 7447AL [2,0,0,0,0,0|0,0,2]=4 70 B7R0.1 CNCCCCNC 8068AA [2,0,0,0,0,0|2,0,0]=4 71 B7R0.1 NCCCNCCO 6154AB [2,0,0,0,0,0|2,0,0]=4 72 B7R0.1 NCCNCCCO 8334AL [2,0,0,0,0,0|2,0,0]=4 73 B7R0.4 CCC#CCC(C)O 6519AL [2,0,0,0,0,0|0,0,2]=4 74 B9R0.5 CCCCCC(O)CCC 6654AL [1,1,0,0,0,0|0,0,0]=2 75 B9R0.18 CCCCC(O)CCCC 6808AL [1,1,0,0,0,0|0,0,0]=2 76 B9R0.18 CCCCS(=O)CCCC S178 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.45 C#CCCCCCCCO X5979 [1,1,0,0,0,0|0,0,1]=3 78 B9R0.45 C=CCCCCCCCCl 1177AF [1,1,0,0,0,0|0,0,2]=4 79 B9R0.45 C=CCCCCCCCO 6910AL [1,1,0,0,0,0|0,0,1]=3 80 B9R0.45 CCC#CCCCCCC 5747AF [1,1,0,0,0,0|0,0,1]=3 81 B9R0.45 CCCCCC#CCCO V0610 [1,1,0,0,0,0|0,0,1]=3 82 B9R0.45 CCCCCCC#CCO V0621 [1,1,0,0,0,0|0,0,1]=3 83 B9R0.45 CCCCCCCCC#N 8127AF [1,1,0,0,0,0|0,0,1]=3 84 B9R0.45 CCCCCCCCCS Q791 [1,1,0,0,0,0|0,0,0]=2 85 B9R0.45 CCCCCC\C=C/CO 7426AL [1,1,0,0,0,0|0,0,1]=3 86 B9R0.45 CCCCC\C=C/CCO 7441AL [1,1,0,0,0,0|0,0,1]=3 87 B9R0.45 CCCNCCNCCC 5593AD [1,1,0,0,0,0|1,0,0]=3 88 B9R0.45 CNCCCCCCNC 5618AA [1,1,0,0,0,0|1,0,0]=3 89 B9R0.45 ICCCCCCCCI 4683AL [1,1,0,0,0,0|1,0,0]=3 90 B9R0.45 NCCCCNCCCN 7714AH [1,1,0,0,0,0|2,0,0]=4 91 B9R0.45 OCCCCCCCCCl Q040 [1,1,0,0,0,0|0,0,0]=2 92 B9R0.45 SCCCCCCCCS 7639AJ [1,1,0,0,0,0|0,1,0]=3 93 B9R0.46 CCCCCCC(O)CC 6139AL [1,1,0,0,0,0|0,0,0]=2 94 B9R0.46 COC(=O)CCCCCO 6266AB [1,1,0,0,0,0|1,0,1]=4 95 B9R0.38 CCCCCC[N+](C)(C)C Z3300 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.47 CCCCCC(N)C(=O)O 2079AA [1,1,0,0,0,0|1,0,1]=4 97 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [1,1,0,0,0,0|1,0,1]=4 98 B9R0.55 CC(C)CCCCC(=O)O 5715AC [1,1,0,0,0,0|1,0,1]=4 99 B11R0.30 CC(C)CCSSCCC(C)C 0529AB [0,2,0,0,0,0|2,0,0]=4 100 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,2,0,0,0,0|0,0,2]=4 101 B11R0.40 CCCCCCCCC(O)CO V2424 [0,2,0,0,0,0|0,0,0]=2 102 B11R0.40 OCCCCCCCC(O)CO 4416AL [0,2,0,0,0,0|0,0,0]=2 103 B11R0.46 CCCOCC(C)OCC(C)O 8537AJ [0,2,0,0,0,0|1,0,0]=3 104 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.148 CCCCCCCCCC(C)N 3731AD [0,2,0,0,0,0|1,0,0]=3 106 B11R0.148 CCCCCCCCCC(C)O 5913AF [0,2,0,0,0,0|0,0,0]=2 107 B11R0.148 CCCCCCC\C=C\B(O)O N975 [0,2,0,0,0,0|2,0,0]=4 108 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [0,2,0,0,0,0|1,0,1]=4 109 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,2,0,0,0,0|1,0,1]=4 110 B11R0.148 CCCCOCCOCC(=O)O 4029AL [0,2,0,0,0,0|1,0,1]=4 111 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,2,0,0,0,0|2,0,0]=4 112 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,2,0,0,0,0|1,0,1]=4 113 B11R0.4 CCCCCCCC(=O)CCC 5904AF [0,2,0,0,0,0|0,0,2]=4 114 B11R0.142 CCCCCCC(=O)N(C)OC 1076AA [0,2,0,0,0,0|1,0,1]=4 115 B9R1.8 BrCCC1CCOCC1 6395AB [1,0,0,1,0,0|2,0,0]=4 116 B9R1.8 BrCCN1CCCCC1 4892AC [1,0,0,1,0,0|2,0,0]=4 117 B9R1.8 C#CCC1CCCCC1 Y8015 [1,0,0,1,0,0|0,0,2]=4 118 B9R1.8 CCCN1CCNCC1 7434AD [1,0,0,1,0,0|2,0,0]=4 119 B9R1.8 CCNC1CCOCC1 0806AB [1,0,0,1,0,0|2,0,0]=4 120 B9R1.8 CCOC1CCCNC1 9686AC [1,0,0,1,0,0|2,0,0]=4 121 B9R1.8 CCOC1CCNCC1 Z7376 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.8 CNCC1CCCCC1 V3614 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.8 CNCC1CCCCC1 V4720 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.8 CNCC1CCCCO1 7421AH [1,0,0,1,0,0|1,0,0]=3 125 B9R1.8 CNCC1CCCCO1 8651AE [1,0,0,1,0,0|1,0,0]=3 126 B9R1.8 COCC1CCNCC1 V9116 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.8 COCC1CCNCC1 Y6213 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.8 N#CCC1CCCCC1 5033AH [1,0,0,1,0,0|1,0,1]=4 129 B9R1.8 NCCC1CCCCC1 Z4868 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.8 NCCC1CCCCO1 1296AJ [1,0,0,1,0,0|1,0,0]=3 131 B9R1.8 NCCC1CCOCC1 V5672 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.8 NCCC1CCOCC1 Z2422 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.8 NNCC1CCCCC1 V5510 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.8 OCCC1CCCNC1 V3701 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.8 OCCC1CCNCC1 5112AC [1,0,0,1,0,0|1,0,0]=3 136 B9R1.8 OCCC1CNCCN1 4749AE [1,0,0,1,0,0|2,0,0]=4 137 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.12 CCNCC1CCCO1 8649AE [1,0,0,1,0,0|1,0,0]=3 139 B9R1.12 NCCOC1CCCC1 5277AJ [1,0,0,1,0,0|2,0,0]=4 140 B9R1.12 O=CCCC1CCCC1 5333AH [1,0,0,1,0,0|0,0,2]=4 141 B9R1.15 CCN1CCNCC1C 9829AH [1,0,0,1,0,0|2,0,0]=4 142 B9R1.15 CN1CCCCC1CCl W5058 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.33 CN1CCCC1CCCl P743 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.50 OC1CCCCCCC1 7963AF [1,0,0,1,0,0|0,0,0]=2 145 B9R1.89 NCC1CCCCCC1 9307AA [1,0,0,1,0,0|1,0,0]=3 146 B9R1.89 ON=C1CCCCCC1 7507AL [1,0,0,1,0,0|1,0,1]=4 147 B9R1.2 CCC1CCCC(=O)C1 7677AD [1,0,0,1,0,0|0,0,2]=4 148 B9R1.2 NCC1CCCC(O)C1 2722AA [1,0,0,1,0,0|1,0,0]=3 149 B9R1.6 CC(O)C1CCCCC1 3320AA [1,0,0,1,0,0|0,0,0]=2 150 B9R1.7 NCCN1CC[C@H](O)C1 W6844 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.13 O=C(O)CC1CCCC1 2161AA [1,0,0,1,0,0|1,0,1]=4 152 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [0,1,0,1,0,0|0,0,2]=4 153 B11R1.91 CC(=O)OCC1CCCCC1 7517AL [0,1,0,1,0,0|0,0,2]=4 154 B11R1.91 CN(C)CCC1CCCCN1 6577AE [0,1,0,1,0,0|2,0,0]=4 155 B11R1.91 CN(C)CCC1CCNCC1 8282AC [0,1,0,1,0,0|2,0,0]=4 156 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [0,1,0,1,0,0|1,0,1]=4 157 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,1,0,1,0,0|1,0,1]=4 158 B11R1.143 CN1CCCCCC1C(=O)O 1648AL [0,1,0,1,0,0|1,0,1]=4 159 B11R1.742 CC(C)CN1CCCNCC1 6307AE [0,1,0,1,0,0|2,0,0]=4 160 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [0,1,0,1,0,0|1,0,1]=4 161 B11R1.928 NC1(CC(=O)O)CCCCC1 1934AE [0,1,0,1,0,0|1,0,1]=4 162 B11R1.928 NC1(CC(=O)O)CCCCC1 W5850 [0,1,0,1,0,0|1,0,1]=4 163 B11R1.509 CC(C)(C)NC1CCCCC1 3774AL [0,1,0,1,0,0|2,0,0]=4 164 B11R1.1121 CC(C)(C)C1CCCNCC1 9771AE [0,1,0,1,0,0|2,0,0]=4 165 B11R1.1 CCCCN1CCC(C)CC1 7744AC [0,1,0,1,0,0|2,0,0]=4 166 B11R1.40 COC(=O)CC1CCCCC1 7045AA [0,1,0,1,0,0|0,0,2]=4 167 B11R1.40 NOC(=O)CC1CCCCC1 W7029 [0,1,0,1,0,0|1,0,1]=4 168 B11R1.35 NC(CC1CCCC1)C(=O)O X5414 [0,1,0,1,0,0|1,0,1]=4 169 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O Z5424 [0,1,0,1,0,0|1,0,1]=4 170 B11R1.36 CC(C(=O)O)C1CCCCC1 6543AE [0,1,0,1,0,0|1,0,1]=4 171 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 V4048 [0,1,0,1,0,0|1,0,1]=4 172 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 Z2102 [0,1,0,1,0,0|1,0,1]=4 173 B11R2.703 OC1CC2(CCNCC2)C1 8727AB [0,0,0,2,0,0|1,0,0]=3 174 B11R2.432 CN1C2CCC1CC(N)C2 V0883 [0,0,0,2,0,0|2,0,0]=4 175 B11R2.432 [C@H]12CC[C@H](C[C@H](S)C1)N2C 7822AH [0,0,0,2,0,0|1,1,0]=4