0 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 CC(=O)CN1CCCCC1 7980AE [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)OC1CCNCC1 6299AC [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 CC(C)CC1CCCCC1 8087AL [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(N)CN1CCCCC1 0914AE [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(O)CN1CCNCC1 9537AH [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CN(C)CC1CCNCC1 6643AA [0,0,0,0,0,0|4,0,0]=4 7 B10R1.18 N=C(N)NC1CCCCC1 8359AD [0,0,0,0,0,0|3,0,0]=3 8 B10R1.18 NC(=O)CC1CCCCC1 7534AA [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 NC(=O)CC1CCNCC1 3210AA [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 O=C(O)C=C1CCCCC1 7798AA [0,0,0,0,0,0|0,0,2]=2 11 B10R1.18 O=C(O)CC1CCCCN1 0118AB [0,0,0,0,0,0|1,0,0]=1 12 B10R1.18 O=C(O)CC1CCCCN1 0196AB [0,0,0,0,0,0|1,0,0]=1 13 B10R1.18 O=C(O)CC1CCCOC1 7652AC [0,0,0,0,0,0|1,0,0]=1 14 B10R1.18 O=C(O)CC1COCCN1 Z5224 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 O=C(O)CN1CCSCC1 6480AE [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 C#CCN1CCCCC1 8568AB [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 C=CCC1CCCCC1 8125AF [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 C=CCN1CCOCC1 6389AL [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 CCCC1CCCCC1 8884AL [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 CCCC1CCCNC1 3949AD [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 CNCC1CCCCC1 V4720 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCC1CCCCO1 7421AH [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CNCC1CCNCC1 7433AH [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 CNCC1CCOCC1 Y9118 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 COCC1CCCCN1 Y2185 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 COCC1CCCNC1 8164AE [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 ClCCC1CCCCC1 1553AA [1,0,0,0,0,0|1,0,1]=3 28 B9R1.8 ClCOC1CCCCC1 7372AL [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 FCCC1CCCNC1 1487AD [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 N#CCC1CCCNC1 5589AE [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 N#CCC1CCNCC1 0362AB [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 N#CCC1CCNCC1 4777AD [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 N#CC[NH+]1CCCCC1 4301AL [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 NCCC1CCCCO1 W6097 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 NCCC1CCCNC1 2630AF [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 NCCC1CCCOC1 4614AF [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NCCC1CCNCC1 1826AC [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 NCCC1CCNCC1 4951AC [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 O=CCC1CCCCC1 Y9495 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.8 OCCC1CCOCC1 W6406 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 OCCC1CNCCN1 W5547 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 OCC[C@@H]1CCCCN1 0871AA [1,0,0,0,0,0|1,0,1]=3 43 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 OCC[C@H]1CCCCN1 0559AC [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 OCC[C@H]1CNCCN1 Z4018 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.20 CC1CCN(CC(=O)O)CC1 V9960 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.20 CN1CCC(CC(=O)O)CC1 3916AC [0,1,0,0,0,0|1,0,0]=2 48 B11R1.20 CN1CCC(CC(=O)O)CC1 7953AE [0,1,0,0,0,0|1,0,0]=2 49 B11R1.20 NC1CCC(CC(=O)O)CC1 3411AA [0,1,0,0,0,0|0,0,0]=1 50 B11R1.20 NC1CCN(CC(=O)O)CC1 9968AE [0,1,0,0,0,0|1,0,0]=2 51 B11R1.20 O=C(O)CN1CCC(=O)CC1 7437AD [0,1,0,0,0,0|1,0,1]=3 52 B11R1.36 CC(C(=O)O)N1CCCCC1 8220AE [0,1,0,0,0,0|1,0,0]=2 53 B11R1.36 CC(C(=O)O)N1CCNCC1 0180AF [0,1,0,0,0,0|2,0,0]=3 54 B11R1.36 CC(C(=O)O)N1CCOCC1 2595AF [0,1,0,0,0,0|2,0,0]=3 55 B11R1.36 CC(C(=O)O)N1CCOCC1 2596AF [0,1,0,0,0,0|2,0,0]=3 56 B11R1.36 O=C(O)C(=O)N1CCOCC1 9225AD [0,1,0,0,0,0|2,0,1]=4 57 B11R1.40 CC(CO)CN1CCCCC1 2126AL [0,1,0,0,0,0|2,0,1]=4 58 B11R1.40 CCC(=O)NC1CCNCC1 6170AD [0,1,0,0,0,0|3,0,0]=4 59 B11R1.40 CCC(=O)OC1CCCNC1 2129AD [0,1,0,0,0,0|3,0,0]=4 60 B11R1.40 CCC(=O)OC1CCNCC1 7483AD [0,1,0,0,0,0|3,0,0]=4 61 B11R1.40 CNC(=O)CN1CCNCC1 V5727 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.40 CNC(C)CC1CCCCC1 0377AA [0,1,0,0,0,0|2,0,1]=4 63 B11R1.40 COC(=O)CC1CNCCO1 4208AJ [0,1,0,0,0,0|2,0,0]=3 64 B11R1.40 COC(=O)CC1CNCCO1 6437AB [0,1,0,0,0,0|2,0,0]=3 65 B11R1.40 COC(=O)C[C@@H]1CCCNC1 6541AC [0,1,0,0,0,0|1,0,0]=2 66 B11R1.40 COC(=O)C[C@H]1CCCNC1 Y4379 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.40 NNC(=O)CC1CCCCC1 8982AD [0,1,0,0,0,0|1,0,0]=2 68 B11R1.40 NNC(=O)CC1CCNCC1 4615AF [0,1,0,0,0,0|2,0,0]=3 69 B11R1.40 N[C@H](CO)CC1CCCCC1 Q934 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.40 O=C(CCl)NC1CCNCC1 1917AD [0,1,0,0,0,0|3,0,0]=4 71 B11R1.40 O=C(CCl)OC1CCCCC1 Y9855 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.86 CC(=O)CC1CCCCN1C W1084 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [0,1,0,0,0,0|2,0,0]=3 74 B11R1.86 CC1CCCCN1CC(=O)O 0553AD [0,1,0,0,0,0|1,0,0]=2 75 B11R1.86 CN1CCCCC1CC(=O)O 6616AE [0,1,0,0,0,0|1,0,0]=2 76 B11R1.86 O=C(O)CN1CCCCC1=O 8704AE [0,1,0,0,0,0|1,0,1]=3 77 B11R1.86 O=C(O)CN1CCNCC1=O W4819 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.157 CC(=O)CN1CCCC(C)C1 0811AF [0,1,0,0,0,0|2,0,0]=3 79 B11R1.157 CC1CCCN(CC(=O)O)C1 1686AF [0,1,0,0,0,0|1,0,0]=2 80 B11R1.157 CN1CCCC(CC(=O)O)C1 5453AD [0,1,0,0,0,0|1,0,0]=2 81 B11R1.157 O=C(O)CN1CCOC(=O)C1 9536AD [0,1,0,0,0,0|2,0,1]=4 82 B11R1.509 CC(C)(O)CN1CCCCC1 AMTGC614 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.509 CS(=O)(=O)CC1CCNCC1 6433AE [0,1,0,0,0,0|2,0,1]=4 84 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 Y9106 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.509 O=S(=O)(Cl)NC1CCCCC1 6579AJ [0,1,0,0,0,0|2,0,1]=4 86 B9R0.2 C=CCCCCCC(=O)O 6293AD [0,0,1,0,0,0|0,0,2]=3 87 B9R0.2 CC(=O)NCCCCCN 8354AL [0,0,1,0,0,0|3,0,0]=4 88 B9R0.2 CCCCSCCC(=O)O 7495AD [0,0,1,0,0,0|1,0,0]=2 89 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [0,0,1,0,0,0|0,0,2]=3 90 B9R0.2 COCCCCCC(=O)O 5735AB [0,0,1,0,0,0|1,0,0]=2 91 B9R0.2 COCCCCOC(C)=O 6564AL [0,0,1,0,0,0|3,0,0]=4 92 B9R0.2 NC(=O)CCNCCCO 7886AC [0,0,1,0,0,0|3,0,0]=4 93 B9R0.2 [N-]=[N+]=NCCCCC(=O)O V7798 [0,0,1,0,0,0|3,0,0]=4 94 B9R0.4 COCCN(C)CC(=O)O 3127AF [0,0,1,0,0,0|2,0,0]=3 95 B9R0.4 COCCN(C)CC(=O)O 9512AL [0,0,1,0,0,0|2,0,0]=3 96 B11R2.433 O=C1CN2CCC(CC2)N1 7645AB [0,0,0,1,0,0|2,0,0]=3 97 B11R2.678 O=C1CC2COCC(C1)N2 5920AJ [0,0,0,1,0,0|3,0,0]=4 98 B11R2.678 [C@H]12CCC[C@H](CC(=O)C1)N2 3651AE [0,0,0,1,0,0|2,0,0]=3 99 B11R2.703 O=C1CC2(CCNCC2)N1 4495AA [0,0,0,1,0,0|2,0,0]=3 100 B11R2.703 OC1CC2(CCNCC2)C1 8727AB [0,0,0,1,0,0|2,0,1]=4 101 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,0,0,0,1,0|2,0,0]=3 102 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,0,0,0,1,0|2,0,0]=3 103 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,0,0,0,1,0|2,0,0]=3 104 B9R1.6 CC(C)C1CCCCC1 8132AF [0,0,0,0,1,0|2,0,1]=4 105 B9R1.6 CC(N)C1CCCCC1 7864AB [0,0,0,0,1,0|2,0,1]=4 106 B9R1.6 N=C(N)C1CCCCC1 9640AJ [0,0,0,0,1,0|2,0,0]=3 107 B9R1.6 N=C(N)C1CCOCC1 Y9093 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.6 N=C(N)N1CCCCC1 2921AE [0,0,0,0,1,0|3,0,0]=4 109 B9R1.6 NC(=O)C1CC=CCC1 4123AE [0,0,0,0,1,0|1,0,2]=4 110 B9R1.6 NC(=O)C1CCCOC1 6295AD [0,0,0,0,1,0|2,0,0]=3 111 B9R1.6 NC(=O)C1CNCCN1 V7931 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.6 NC(=O)C1CNCCO1 Z7921 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.6 NC(=O)N1CCNCC1 4107AE [0,0,0,0,1,0|3,0,0]=4 114 B9R1.6 NC(=O)N1CCNCC1 5669AE [0,0,0,0,1,0|3,0,0]=4 115 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [0,0,0,0,1,0|2,0,0]=3 116 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,0,1,0|1,0,2]=4 117 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,0,0,0,1,0|1,0,2]=4 118 B9R1.6 O=C(O)C1CCCSC1 W3499 [0,0,0,0,1,0|1,0,0]=2 119 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,0,0,0,1,0|2,0,0]=3 120 B9R1.6 O=C(O)C1COCCN1 W7764 [0,0,0,0,1,0|2,0,0]=3 121 B9R1.6 O=C(O)C1SCCCS1 D188 [0,0,0,0,1,0|2,0,0]=3 122 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,0,0,0,1,0|2,0,0]=3 124 B9R1.6 O=C(O)[C@H]1CNCCO1 3774AA [0,0,0,0,1,0|2,0,0]=3 125 B9R1.6 OB(O)C1CCOCC1 1535AA [0,0,0,0,1,0|2,0,1]=4 126 B9R1.13 CC(=O)N[C@H]1CCNC1 X9087 [0,0,0,0,1,0|3,0,0]=4 127 B9R1.13 CC(=O)N[C@H]1CCNC1 X9602 [0,0,0,0,1,0|3,0,0]=4 128 B9R1.13 CC(=O)OC1CCNC1 1432AD [0,0,0,0,1,0|3,0,0]=4 129 B9R1.13 CC(O)CN1CCCC1 AMTGC581 [0,0,0,0,1,0|2,0,1]=4 130 B9R1.13 NC(=S)NC1CCCC1 Z6563 [0,0,0,0,1,0|2,1,0]=4 131 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,0,0,0,1,0|1,0,0]=2 132 B9R1.13 O=C(O)CC1CCCO1 1796AB [0,0,0,0,1,0|1,0,0]=2 133 B11R1.91 CC(=O)OCC1CCCNC1 1664AD [0,0,0,0,0,1|2,0,0]=3 134 B11R1.91 CC(=O)OCC1CCNCC1 6179AD [0,0,0,0,0,1|2,0,0]=3 135 B11R1.91 NC(=O)COC1CCCCC1 5271AJ [0,0,0,0,0,1|1,0,0]=2 136 B11R1.91 O=C(O)CCC1CCCCN1 6959AC [0,0,0,0,0,1|1,0,0]=2 137 B11R1.91 O=C(O)CCC1CCCNC1 2262AL [0,0,0,0,0,1|1,0,0]=2 138 B11R1.91 O=C(O)CCC1CCCNC1 9554AA [0,0,0,0,0,1|1,0,0]=2 139 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,0,0,0,0,1|1,0,0]=2 140 B11R1.91 O=C(O)CCC1CCOCC1 5463AB [0,0,0,0,0,1|1,0,0]=2 141 B11R1.91 O=C(O)CCC1OCCCO1 9605AE [0,0,0,0,0,1|2,0,0]=3 142 B11R1.91 O=C(O)CCN1CCCCO1 0335AD [0,0,0,0,0,1|2,0,0]=3 143 B11R1.91 O=C(O)CNC1=NCCCC1 4049AD [0,0,0,0,0,1|1,0,1]=3 144 B11R1.91 O=C(O)COC1CCNCC1 4439AD [0,0,0,0,0,1|1,0,0]=2 145 B11R1.91 O=C(O)CSC1=NCCCN1 5916AE [0,0,0,0,0,1|2,0,1]=4 146 B8R0.4 C=CCCCCCCC 8130AF [1,0,1,0,0,0|1,0,0]=3 147 B8R0.4 C=CCCCCCCO 6892AL [1,0,1,0,0,0|2,0,0]=4 148 B8R0.4 CCCCCCCCC 8936AJ [1,0,1,0,0,0|1,0,1]=4 149 B8R0.4 CCCCCCCSC 8022AL [1,0,1,0,0,0|2,0,0]=4 150 B8R0.4 CCCCCOCCO 6511AH [1,0,1,0,0,0|1,0,1]=4 151 B8R0.4 CNCCCCCCO 4396AE [1,0,1,0,0,0|1,0,1]=4 152 B8R0.4 C\C=C\CCCCCC 9212AL [1,0,1,0,0,0|1,0,1]=4 153 B8R0.7 CCCCCC[C@H](C)O D263 [1,0,1,0,0,0|1,0,1]=4 154 B8R0.7 CCCC\C=C\C(=O)O 6400AD [1,0,1,0,0,0|0,0,2]=4 155 B8R0.7 NC(=O)CCCCCO 3555AJ [1,0,1,0,0,0|2,0,0]=4 156 B8R0.7 NCCCNCC(=O)O 8332AL [1,0,1,0,0,0|2,0,0]=4 157 B8R0.7 O=C([O-])CCCCCO 0762AP [1,0,1,0,0,0|1,0,1]=4 158 B8R0.5 C=C(C)CC(C)CCC 5311AL [1,0,1,0,0,0|2,0,0]=4 159 B8R0.22 CCCC(CC)CCC 6496AL [1,0,1,0,0,0|1,0,1]=4 160 B8R1.2 BrCC1CCCCN1 4115AB [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 BrCC1CCCOC1 2659AA [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 BrCC1CCNCC1 X0255 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.2 C=CC1CCCCC1 Z3463 [2,0,0,0,0,0|0,0,1]=3 164 B8R1.2 CCC1CCCCC1 8567AA [2,0,0,0,0,0|0,0,1]=3 165 B8R1.2 CCC1CCCNC1 6423AA [2,0,0,0,0,0|1,0,1]=4 166 B8R1.2 CC[C@@H]1CCCCN1 0072AQ [2,0,0,0,0,0|1,0,1]=4 167 B8R1.2 COC1CCCCC1 7515AL [2,0,0,0,0,0|1,0,1]=4 168 B8R1.2 FCC1CCCCN1 1886AF [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 FCC1CCNCC1 9762AE [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 ICC1CCNCC1 6189AJ [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 NCC1CCCCN1 8197AB [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 NCC1CCCCO1 Y9814 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 O=CC1CCCCN1 X3865 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.2 O=CC1CCCNC1 4398AB [2,0,0,0,0,0|1,0,0]=3 175 B8R1.2 O=CC1CCNCC1 0201AP [2,0,0,0,0,0|1,0,0]=3 176 B8R1.2 OCC1CCCNC1 W3153 [2,0,0,0,0,0|1,0,0]=3 177 B8R1.2 OCC1CCNCC1 J70061 [2,0,0,0,0,0|1,0,0]=3 178 B8R1.2 OCC1CCOCO1 6434AB [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 OCC1CCSCC1 Y6767 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.2 OCC1CNCCN1 4453AJ [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 OC[C@@H]1CNCCN1 W3264 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 OC[C@@H]1COCCN1 X9480 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 OC[C@H]1CNCCO1 W3408 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 OC[C@H]1COCCO1 8565AH [2,0,0,0,0,0|2,0,0]=4 185 B10R0.3 CCCC(C)CCOC(C)=O 6114AL [0,1,1,0,0,0|2,0,0]=4 186 B10R0.4 CCCCCCOCC(=O)O 8556AB [0,1,1,0,0,0|0,0,0]=2 187 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [0,1,1,0,0,0|0,0,1]=3 188 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [0,1,1,0,0,0|0,0,1]=3 189 B10R0.4 CCOCCCCCC(=O)O 0871AC [0,1,1,0,0,0|0,0,0]=2 190 B10R0.4 COCCCNCCC(N)=O 7888AC [0,1,1,0,0,0|2,0,0]=4 191 B10R0.6 CCCCCC(=O)CC(C)=O 6753AE [0,1,1,0,0,0|1,0,1]=4 192 B10R0.6 CCCCCC(N)CC(=O)O 1081AA [0,1,1,0,0,0|0,0,0]=2 193 B10R0.6 NCCCC[C@H](N)CC(=O)O Z5705 [0,1,1,0,0,0|1,0,0]=3 194 B10R0.22 CCCCCCCP(=O)(O)O 8023AL [0,1,1,0,0,0|1,0,0]=3 195 B10R0.74 CCCCCCCC(=O)CC 5762AF [0,1,1,0,0,0|1,0,0]=3 196 B10R0.74 CCCCCCCC(O)CO 4474AL [0,1,1,0,0,0|0,0,2]=4 197 B10R0.74 COC(=O)CCNCCCO 8073AC [0,1,1,0,0,0|2,0,0]=4 198 B10R0.74 COCCNCCC(=O)OC 5596AE [0,1,1,0,0,0|2,0,0]=4 199 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,1,1,0,0,0|1,0,0]=3 200 B10R0.78 COCCN(C)CCC(=O)O 3095AF [0,1,1,0,0,0|2,0,0]=4 201 B10R0.18 CCCCC(=O)CC(=O)OC 5240AB [0,1,1,0,0,0|1,0,1]=4 202 B10R0.79 CCCN(CCC)CC(=O)O 1805AL [0,1,1,0,0,0|1,0,0]=3 203 B10R1.1 CCCC1CCC(N)CC1 6678AL [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 9234AL [1,1,0,0,0,0|1,0,1]=4 205 B10R1.1 NC1CCN(CCO)CC1 1133AJ [1,1,0,0,0,0|1,0,1]=4 206 B10R1.1 NCCC1CCC(N)CC1 5012AL [1,1,0,0,0,0|1,0,1]=4 207 B10R1.1 NCCC1CCC(O)CC1 6179AL [1,1,0,0,0,0|1,0,1]=4 208 B10R1.1 O=C1CCC(CCO)CC1 3716AB [1,1,0,0,0,0|0,0,2]=4 209 B10R1.1 OCCC1CCC(O)CC1 6184AL [1,1,0,0,0,0|0,0,1]=3 210 B10R1.4 C=CCC1CCCCC1=O 7860AJ [1,1,0,0,0,0|1,0,1]=4 211 B10R1.4 CN1CCCCC1CCO 7565AB [1,1,0,0,0,0|1,0,1]=4 212 B10R1.17 C=CCOC1CCCNC1 0283AD [1,1,0,0,0,0|2,0,0]=4 213 B10R1.17 C=CCOC1CCNCC1 4355AF [1,1,0,0,0,0|2,0,0]=4 214 B10R1.17 CNCCC1CCCCC1 1064AL [1,1,0,0,0,0|1,0,1]=4 215 B10R1.17 COCCC1CCCCN1 0883AF [1,1,0,0,0,0|1,0,1]=4 216 B10R1.17 COCCC1CCCNC1 4076AF [1,1,0,0,0,0|1,0,1]=4 217 B10R1.17 NCCCC1CCCCC1 2801AF [1,1,0,0,0,0|1,0,1]=4 218 B10R1.17 O=C=NCC1CCOCC1 3618AF [1,1,0,0,0,0|1,0,1]=4 219 B10R1.17 O=CCCC1CCCCC1 6024AB [1,1,0,0,0,0|0,0,0]=2 220 B10R1.17 OCCCC1CCCCN1 5623AJ [1,1,0,0,0,0|1,0,1]=4 221 B10R1.13 C=C1CCC(C(=O)O)CC1 3628AF [0,1,0,0,1,0|0,0,1]=3 222 B10R1.13 CC(=O)C1CCN(C)CC1 0602AB [0,1,0,0,1,0|2,0,0]=4 223 B10R1.13 O=C(O)C1CC=C(Br)CC1 V8103 [0,1,0,0,1,0|0,0,2]=4 224 B10R1.28 O=S(=O)([O-])C1CCCCC1 0256AQ [0,1,0,0,1,0|1,0,1]=4 225 B10R1.61 CC1CNCCC1C(=O)O X3814 [0,1,0,0,1,0|1,0,0]=3 226 B10R1.61 CN1CCNCC1C(=O)O 9918AH [0,1,0,0,1,0|2,0,0]=4 227 B10R1.61 CN1CCNCC1C(=O)O X9604 [0,1,0,0,1,0|2,0,0]=4 228 B10R1.61 CN1CCOCC1C(=O)O 2892AJ [0,1,0,0,1,0|2,0,0]=4 229 B10R1.61 CN1CCOCC1C(=O)O 4547AA [0,1,0,0,1,0|2,0,0]=4 230 B10R1.61 NC1CCCCC1C(=O)O 1986AL [0,1,0,0,1,0|0,0,0]=2 231 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 1047AL [0,1,0,0,1,0|0,0,0]=2 232 B10R1.61 O=C(O)C1CCCCC1O W7331 [0,1,0,0,1,0|0,0,0]=2 233 B10R1.61 O=C(O)C1CCCNC1=O 5773AB [0,1,0,0,1,0|1,0,1]=4 234 B10R1.113 CC(=O)C1CCCN(C)C1 9371AH [0,1,0,0,1,0|2,0,0]=4 235 B10R1.113 CC(=O)N1CCCC(O)C1 2724AE [0,1,0,0,1,0|2,0,0]=4 236 B10R1.113 CN1CCNC(C(=O)O)C1 5645AH [0,1,0,0,1,0|2,0,0]=4 237 B10R1.113 CN1CCOC(C(=O)O)C1 0383AF [0,1,0,0,1,0|2,0,0]=4 238 B10R1.113 CN1CCOC(C(=O)O)C1 5644AH [0,1,0,0,1,0|2,0,0]=4 239 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 V0414 [0,1,0,0,1,0|1,0,1]=4 240 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 0960AF [0,1,0,0,1,0|0,0,0]=2 241 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,1,0,0,1,0|0,0,0]=2 242 B10R1.113 O=C(O)C1CNCC(O)C1 2797AA [0,1,0,0,1,0|1,0,0]=3 243 B10R1.113 O=C(O)C1CNCC(O)C1 3230AJ [0,1,0,0,1,0|1,0,0]=3 244 B10R1.363 CC(=O)C1(C)CCCCC1 4878AJ [0,1,0,0,1,0|1,0,0]=3 245 B10R1.363 CC(=O)C1(O)CCCCC1 7940AF [0,1,0,0,1,0|1,0,0]=3 246 B10R1.363 CC1(C(=O)O)CCNCC1 8253AA [0,1,0,0,1,0|1,0,0]=3 247 B10R1.363 CC1(C(N)=O)CCNCC1 3250AD [0,1,0,0,1,0|2,0,0]=4 248 B10R1.363 NC1(C(=O)O)CCNCC1 9421AE [0,1,0,0,1,0|1,0,0]=3 249 B10R1.363 O=C(O)C1(F)CCOCC1 2475AA [0,1,0,0,1,0|1,0,0]=3 250 B10R1.363 O=C(O)C1(O)CCNCC1 6886AB [0,1,0,0,1,0|1,0,0]=3 251 B10R1.23 CC(C(=O)O)N1CCCC1 2951AD [0,1,0,0,1,0|1,0,0]=3 252 B10R1.23 O=C(O)C(=O)N1CCCC1 4293AE [0,1,0,0,1,0|1,0,1]=4 253 B10R1.27 COC(=O)C[C@@H]1CCCN1 W6819 [0,1,0,0,1,0|1,0,0]=3 254 B10R1.27 COC(=O)C[C@H]1CCCN1 5980AA [0,1,0,0,1,0|1,0,0]=3 255 B10R1.27 NCC(=O)NC1CCCC1 0665AD [0,1,0,0,1,0|2,0,0]=4 256 B10R1.27 NNC(=O)CN1CCCC1 8638AE [0,1,0,0,1,0|2,0,0]=4 257 B10R1.27 O=C(CBr)NC1CCCC1 1622AF [0,1,0,0,1,0|2,0,0]=4 258 B10R1.54 CN1CCC(CC(=O)O)C1 0543AA [0,1,0,0,1,0|1,0,0]=3 259 B10R1.54 NC1CCN(CC(=O)O)C1 1087AJ [0,1,0,0,1,0|1,0,0]=3 260 B10R1.54 NC1CCN(CC(=O)O)C1 4267AH [0,1,0,0,1,0|1,0,0]=3 261 B10R1.54 O=C(O)CC1CCC(=O)C1 3341AB [0,1,0,0,1,0|0,0,1]=3 262 B10R1.54 O=C(O)CN1CCC(O)C1 Z4509 [0,1,0,0,1,0|1,0,0]=3 263 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 3939AB [0,1,0,0,1,0|1,0,0]=3 264 B12R1.21 CC1CCN(CCC(=O)O)CC1 9431AE [0,1,0,0,0,1|1,0,0]=3 265 B12R1.27 CCC(=O)OCC1CCCNC1 1932AD [0,1,0,0,0,1|2,0,0]=4 266 B12R1.27 CCC(=O)OCC1CCNCC1 6180AD [0,1,0,0,0,1|2,0,0]=4 267 B12R1.27 NCC(=O)NCC1CCOCC1 1648AD [0,1,0,0,0,1|2,0,0]=4 268 B12R1.27 NCC(O)COC1CCCCC1 2222AF [0,1,0,0,0,1|1,0,1]=4 269 B12R1.27 NNC(=O)CCC1CCCCC1 0133AF [0,1,0,0,0,1|1,0,0]=3 270 B12R1.27 NNC(=O)CCN1CCCCC1 9386AD [0,1,0,0,0,1|2,0,0]=4 271 B12R1.27 N\C(CCN1CCCCC1)=N/O 4621AF [0,1,0,0,0,1|2,0,0]=4 272 B12R1.27 OC(CCl)CNC1CCCCC1 6670AE [0,1,0,0,0,1|1,0,1]=4 273 B12R1.43 C=C(CN1CCCCC1)C(=O)O 5108AH [0,1,0,0,0,1|1,0,0]=3 274 B12R1.43 C=C(CN1CCOCC1)C(=O)O 4868AH [0,1,0,0,0,1|2,0,0]=4 275 B12R1.107 CC(CC(=O)O)N1CCOCC1 9456AE [0,1,0,0,0,1|2,0,0]=4 276 B12R1.107 CN(CC(=O)O)C1CCNCC1 9583AC [0,1,0,0,0,1|1,0,0]=3 277 B12R1.210 O=C(O)CN1CCCCCC1=O 1142AE [0,1,0,0,0,1|1,0,0]=3 278 B12R1.2197 CC(C(=O)O)N1CCCCCC1 9543AD [0,1,0,0,0,1|1,0,0]=3 279 B12R1.2197 O=C(O)C(=O)N1CCCCCC1 1977AF [0,1,0,0,0,1|1,0,1]=4 280 B12R1.4 CCN1CCC(CC(=O)O)CC1 3097AF [0,2,0,0,0,0|1,0,0]=3 281 B12R1.4 CCN1CCN(CC(=O)O)CC1 7885AE [0,2,0,0,0,0|2,0,0]=4 282 B12R1.20 CC(C(=O)O)N1CCN(C)CC1 3747AF [0,2,0,0,0,0|2,0,0]=4 283 B12R1.20 CC1CCN(C(C)C(=O)O)CC1 3057AF [0,2,0,0,0,0|1,0,0]=3 284 B12R1.49 COC(=O)CC1CCC(O)CC1 4199AJ [0,2,0,0,0,0|0,0,0]=2 285 B12R1.49 COC(=O)CN1CCC(N)CC1 2664AF [0,2,0,0,0,0|1,0,0]=3 286 B12R1.49 COC(=O)CN1CCN(C)CC1 6198AJ [0,2,0,0,0,0|2,0,0]=4 287 B12R1.1819 CC1(C)CCC(CC(=O)O)CC1 1125AJ [0,2,0,0,0,0|0,0,0]=2 288 B12R1.34 CN(C(=O)CCl)C1CCCCC1 8513AD [0,2,0,0,0,0|2,0,0]=4 289 B12R1.34 CN(C(=O)CN)C1CCCCC1 2295AD [0,2,0,0,0,0|2,0,0]=4 290 B12R1.34 COC(=O)C(N)C1CCOCC1 6523AB [0,2,0,0,0,0|1,0,0]=3 291 B12R1.124 CC1CCCCN1C(=O)C(=O)O 9628AE [0,2,0,0,0,0|1,0,1]=4 292 B12R1.124 CC1CCCCN1C(C)C(=O)O 3088AF [0,2,0,0,0,0|1,0,0]=3 293 B12R1.253 CC(C)(C(=O)O)C1CCOCC1 1783AJ [0,2,0,0,0,0|1,0,0]=3 294 B12R1.478 CCC(C(=O)O)N1CCCCC1 1398AD [0,2,0,0,0,0|1,0,0]=3 295 B12R1.478 CCC(C(=O)O)N1CCNCC1 8144AC [0,2,0,0,0,0|2,0,0]=4 296 B12R1.478 CCC(C(=O)O)N1CCOCC1 2685AF [0,2,0,0,0,0|2,0,0]=4 297 B12R1.32 CCOC(=O)CC1CNCCN1 1373AB [0,2,0,0,0,0|2,0,0]=4 298 B12R1.32 CCOC(=O)CC1CNCCO1 6678AH [0,2,0,0,0,0|2,0,0]=4 299 B12R1.32 CCOC(=O)CC1COCCN1 2660AC [0,2,0,0,0,0|2,0,0]=4 300 B12R1.32 CCOC(=O)CC1COCCN1 7444AH [0,2,0,0,0,0|2,0,0]=4 301 B12R1.32 CCOC(=O)NC1CCNCC1 7406AE [0,2,0,0,0,0|2,0,0]=4 302 B12R1.32 CNCC(=O)NC1CCCCC1 2356AD [0,2,0,0,0,0|2,0,0]=4 303 B12R1.32 CNCC(=O)NC1CCCCC1 3993AE [0,2,0,0,0,0|2,0,0]=4 304 B12R1.32 COCC(=O)NC1CCNCC1 9779AC [0,2,0,0,0,0|2,0,0]=4 305 B12R1.32 COCC(=O)OC1CCCNC1 2111AD [0,2,0,0,0,0|2,0,0]=4 306 B12R1.32 COCC(=O)OC1CCNCC1 2115AD [0,2,0,0,0,0|2,0,0]=4 307 B12R1.32 N#CCC(=O)NC1CCCCC1 4654AD [0,2,0,0,0,0|2,0,0]=4 308 B12R1.32 O=C(CC1CCCCC1)OCCl 3917AJ [0,2,0,0,0,0|0,0,0]=2 309 B12R1.32 O=C(CCCl)NC1CCCCC1 6786AE [0,2,0,0,0,0|2,0,0]=4 310 B12R1.50 COC(=O)CC1CCCC(O)C1 6910AJ [0,2,0,0,0,0|0,0,0]=2 311 B12R1.3524 COC(=O)CC1(N)CCCCC1 9349AA [0,2,0,0,0,0|0,0,0]=2 312 B12R1.3524 COC(=O)CC1(N)CCOCC1 6911AJ [0,2,0,0,0,0|1,0,0]=3 313 B12R1.1009 CC1CCCC(C)N1CC(=O)O 9841AE [0,2,0,0,0,0|1,0,0]=3 314 B12R1.101 C[C@H]1CN(CC(=O)O)C[C@@H](C)O1 4291AD [0,2,0,0,0,0|2,0,0]=4 315 B12R1.438 CCN1CCCC(CC(=O)O)C1 2391AD [0,2,0,0,0,0|1,0,0]=3 316 B10R1.39 CCN1CCCC1C(=O)O 5308AD [0,0,1,1,0,0|1,0,0]=3 317 B10R1.39 CCN1CCC[C@@H]1C(N)=O 4132AL [0,0,1,1,0,0|2,0,0]=4 318 B10R1.39 CCN1CCC[C@H]1C(N)=O 4174AL [0,0,1,1,0,0|2,0,0]=4 319 B10R1.66 O=C(O)CCC1CCCO1 5871AC [0,0,1,1,0,0|1,0,0]=3 320 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,1,1,0,0|1,0,0]=3 321 B10R2.62 C12CCC(CC1)C(=O)C2 3163AL [1,0,0,1,0,0|0,0,0]=2 322 B10R2.62 O=C1NC2CCC1CC2 3767AB [1,0,0,1,0,0|1,0,0]=3 323 B10R2.408 C1CC2CNCC(C1)C2 6517AE [1,0,0,1,0,0|2,0,0]=4 324 B10R2.484 C1CC2(CCN1)CCO2 5005AB [1,0,0,1,0,0|1,0,1]=4 325 B10R2.484 C1CCC2(CC1)CCN2 9679AH [1,0,0,1,0,0|1,0,1]=4 326 B10R2.484 C1CCC2(CC1)CNC2 1559AJ [1,0,0,1,0,0|2,0,0]=4 327 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z3471 [0,0,0,1,1,0|2,0,0]=4 328 B10R2.2 O=C1CC2CNCC2C1 4134AJ [0,0,0,1,1,0|2,0,0]=4 329 B10R2.2 O=C1CC2CNCC2C1 4135AJ [0,0,0,1,1,0|2,0,0]=4 330 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 5961AB [0,0,0,1,1,0|0,0,2]=4 331 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,1,1,0|0,0,2]=4 332 B12R2.250 O=C(O)C1CC12CCNCC2 3427AJ [0,0,0,1,0,1|1,0,0]=3 333 B12R2.2918 O=C1CC2(CCCNC2)CN1 2555AA [0,0,0,1,0,1|2,0,0]=4 334 B12R2.2918 O=C1CCC2(CCNCC2)O1 0226AP [0,0,0,1,0,1|1,0,0]=3 335 B12R2.2918 O=C1COC2(CCNCC2)C1 V1304 [0,0,0,1,0,1|2,0,0]=4 336 B12R2.2918 O=C1CSC2(CCCCC2)N1 3946AE [0,0,0,1,0,1|1,0,0]=3 337 B12R2.2918 O=C1NC2(CCNCC2)CO1 2372AJ [0,0,0,1,0,1|2,0,0]=4 338 B12R2.2918 O=C1NCC2(CCNCC2)N1 8203AB [0,0,0,1,0,1|2,0,0]=4 339 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 KMA0157 [0,1,0,1,0,0|1,0,1]=4 340 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,0,1,0,1,0|1,0,0]=3 341 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,0,1,0,1,0|2,0,0]=4 342 B8R0.8 C[Se]CC[C@H](N)C(=O)O M598 [0,0,1,0,1,0|2,0,0]=4 343 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,0,1,0,1,0|1,0,0]=3 344 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,0,1,0,1,0|1,0,0]=3 345 B8R1.8 C=CCC1CCCC1 1184AQ [1,0,0,0,1,0|1,0,0]=3 346 B8R1.8 CNCC1CCCC1 7687AE [1,0,0,0,1,0|2,0,0]=4 347 B8R1.8 CNCC1CCCC1 8911AH [1,0,0,0,1,0|2,0,0]=4 348 B8R1.8 O=CCC1CCCC1 8225AB [1,0,0,0,1,0|0,0,0]=2 349 B8R1.8 OCCC1CCNC1 1286AJ [1,0,0,0,1,0|1,0,1]=4 350 B8R1.8 OCCN1CCCC1 3251AB [1,0,0,0,1,0|1,0,1]=4 351 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,0,0,0,2,0|2,0,0]=4 352 B8R1.7 NC(=O)C1CCCN1 Y8548 [0,0,0,0,2,0|2,0,0]=4 353 B8R1.7 NC(=O)C1CCNC1 Z4774 [0,0,0,0,2,0|2,0,0]=4 354 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [0,0,0,0,2,0|2,0,0]=4 355 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [0,0,0,0,2,0|2,0,0]=4 356 B8R1.7 NC(=S)C1CCCC1 Y9069 [0,0,0,0,2,0|1,1,0]=4 357 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,0,0,0,2,0|1,0,0]=3 358 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,0,0,0,2,0|1,0,0]=3 359 B8R1.34 CC(=O)CC1COC1 0990AD [0,0,0,0,2,0|2,0,0]=4 360 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,0,0,0,2,0|0,0,2]=4 361 B8R1.34 O=C(O)CC1COC1 3631AD [0,0,0,0,2,0|1,0,0]=3 362 B10R1.85 NCCC1CCCCCC1 3123AA [1,0,0,0,0,1|1,0,1]=4 363 B12R1.252 CC(=O)OCCC1CCCCN1 1915AD [0,0,0,0,0,2|2,0,0]=4 364 B12R1.252 CC(=O)OCCC1CCCNC1 2093AD [0,0,0,0,0,2|2,0,0]=4 365 B12R1.252 CC(=O)OCCC1CCNCC1 6181AD [0,0,0,0,0,2|2,0,0]=4 366 B12R1.252 NC(=O)CCNC1CCCCC1 3920AE [0,0,0,0,0,2|1,0,0]=3 367 B12R1.252 O=C(O)CCCC1CCNCC1 5167AC [0,0,0,0,0,2|1,0,0]=3 368 B12R1.252 O=C(O)CCCN1CCOCC1 2413AE [0,0,0,0,0,2|2,0,0]=4 369 B12R1.252 O=C(O)CCCN1CCOCC1 8587AB [0,0,0,0,0,2|2,0,0]=4 370 B12R1.252 O=C(O)\C=C\CN1CCCCC1 8498AH [0,0,0,0,0,2|1,0,0]=3 371 B12R1.1343 O=C(O)CCN1CCCCCC1 8884AE [0,0,0,0,0,2|1,0,0]=3 372 B12R1.1343 O=C(O)CNC1CCCCCC1 0138AF [0,0,0,0,0,2|0,0,0]=2 373 B12R1.1392 O=C(O)CN1CCCCCCC1 9969AE [0,0,0,0,0,2|1,0,0]=3