0 B8R1.2 BrC=C1CCCCC1 0651AQ [0,0,0,0,0,0|2,0,2]=4 1 B8R1.2 BrCC1CCCCN1 4115AB [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 BrCC1CCNCC1 X0255 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 C#CC1CCOCC1 0859AD [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C=CC1CCCCC1 Z3463 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.2 CCC1CNCCN1 W6296 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 CCC1CNCCN1 Y7494 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 CCC1CNCCO1 Z8593 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CC[C@@H]1COCCN1 1582AC [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CC[C@H]1CNCCN1 5419AA [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 CC[C@H]1COCCN1 X3457 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 CNC1CCCNC1 7535AA [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 CNC1CCCOC1 4420AJ [0,0,0,0,0,0|4,0,0]=4 14 B8R1.2 CNC1CCNCC1 V0325 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 COC1CCCCC1 7515AL [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 CSC1CCNCC1 W4370 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 FCC1CCCCN1 1886AF [0,0,0,0,0,0|2,0,0]=2 18 B8R1.2 FCC1CCNCC1 9762AE [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 ICC1CCNCC1 6189AJ [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 N#CC1=CCCCC1 0160AQ [0,0,0,0,0,0|2,0,2]=4 21 B8R1.2 N#CC1CCCCN1 W6222 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.2 N#CC1CCCNC1 W8248 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.2 N#CC1CCNCC1 W4760 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.2 N#CC1CCSCC1 0101AB [0,0,0,0,0,0|3,0,1]=4 25 B8R1.2 N#CC1CNCCN1 W4048 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.2 N#CC1CNCCO1 3567AA [0,0,0,0,0,0|2,0,1]=3 27 B8R1.2 N#CC1COCCN1 6801AC [0,0,0,0,0,0|3,0,1]=4 28 B8R1.2 N#CN1CCCCC1 1396AQ [0,0,0,0,0,0|3,0,1]=4 29 B8R1.2 N#C[C@@H]1CNCCN1 3771AA [0,0,0,0,0,0|3,0,1]=4 30 B8R1.2 NCC1=CCCCC1 3737AB [0,0,0,0,0,0|2,0,1]=3 31 B8R1.2 NCC1CCCCN1 8197AB [0,0,0,0,0,0|2,0,0]=2 32 B8R1.2 NCC1CCCCO1 Y9814 [0,0,0,0,0,0|1,0,0]=1 33 B8R1.2 NCC1CCCNC1 1145AC [0,0,0,0,0,0|3,0,0]=3 34 B8R1.2 NCC1CCCOC1 W8070 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 NCC1COCCO1 9635AH [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 NC[C@@H]1COCCO1 8541AH [0,0,0,0,0,0|2,0,0]=2 37 B8R1.2 NNC1CCNCC1 2019AE [0,0,0,0,0,0|4,0,0]=4 38 B8R1.2 O=CC1CCCCN1 X3865 [0,0,0,0,0,0|1,0,2]=3 39 B8R1.2 O=CC1CCCNC1 4398AB [0,0,0,0,0,0|2,0,2]=4 40 B8R1.2 O=CC1CCNCC1 0201AP [0,0,0,0,0,0|2,0,2]=4 41 B8R1.2 O=CC1CCNCC1 Y9263 [0,0,0,0,0,0|2,0,2]=4 42 B8R1.2 O=CC1CCSCC1 Y9262 [0,0,0,0,0,0|2,0,2]=4 43 B8R1.2 OCC1CCCNC1 W3153 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 OCC1CCOCO1 6434AB [0,0,0,0,0,0|1,0,0]=1 45 B8R1.2 OCC1CNCCN1 4453AJ [0,0,0,0,0,0|2,0,0]=2 46 B8R1.2 OCC1CNCCN1 X9517 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.2 OCC1COCCO1 9399AD [0,0,0,0,0,0|1,0,0]=1 48 B8R1.2 OC[C@@H]1CCCNC1 W5857 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.2 OC[C@@H]1CNCCN1 W3264 [0,0,0,0,0,0|2,0,0]=2 50 B8R1.2 OC[C@@H]1COCCO1 8542AH [0,0,0,0,0,0|1,0,0]=1 51 B8R1.2 OC[C@H]1CCCNC1 2192AA [0,0,0,0,0,0|2,0,0]=2 52 B8R1.2 OC[C@H]1CNCCO1 W3408 [0,0,0,0,0,0|1,0,0]=1 53 B8R1.2 OC[C@H]1COCCN1 W4406 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.3 BrC1=CCCCC1 Z0360 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 CC1C=CCCC1 6090AL [1,0,0,0,0,0|1,0,1]=3 56 B7R1.3 CC1CCCCN1 7117AB [1,0,0,0,0,0|1,0,0]=2 57 B7R1.3 CC1CCOCO1 8171AJ [1,0,0,0,0,0|1,0,0]=2 58 B7R1.3 CC1CNCCO1 8808AB [1,0,0,0,0,0|1,0,0]=2 59 B7R1.3 C[C@@H]1CCCNC1 Z4441 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 FC1CCCCC1 1850AE [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 FC1CCCNC1 0816AQ [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 IC1CCNCC1 Z9919 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 NC1CCCOC1 0386AC [1,0,0,0,0,0|3,0,0]=4 64 B7R1.3 N[C@@H]1CCCNC1 X9699 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.3 N[C@H]1CCCNC1 Y4134 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.3 ON1CCCCC1 W6467 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.1 C=C1CCC(CO)CC1 7160AC [0,1,0,0,0,0|1,0,1]=3 68 B9R1.1 CC1CCC(=NO)CC1 4311AE [0,1,0,0,0,0|2,0,1]=4 69 B9R1.1 CC1CCC(CBr)CC1 4986AJ [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 CCC1CCC(C)CC1 4854AL [0,1,0,0,0,0|2,0,0]=3 71 B9R1.1 CCC1CCC(O)CC1 6248AB [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 CN1CCC(CBr)CC1 7208AC [0,1,0,0,0,0|3,0,0]=4 73 B9R1.1 CN1CCC(CN)CC1 Y7197 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 W4603 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.1 COC1CCC(C)CC1 4894AL [0,1,0,0,0,0|3,0,0]=4 76 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 3943AJ [0,1,0,0,0,0|3,0,0]=4 77 B9R1.1 CO[C@H]1CC[C@H](O)CC1 1248AB [0,1,0,0,0,0|3,0,0]=4 78 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 1213AF [0,1,0,0,0,0|2,0,1]=4 79 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,1,0,0,0,0|2,0,1]=4 80 B9R1.1 OCC1CCC(O)CC1 4006AB [0,1,0,0,0,0|1,0,0]=2 81 B9R1.2 CCC1CCCC(C)C1 4845AL [0,1,0,0,0,0|2,0,0]=3 82 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,1,0,0,0,0|2,0,0]=3 83 B9R1.2 CN1CCNC(CO)C1 8795AH [0,1,0,0,0,0|2,0,0]=3 84 B9R1.2 NCC1CCCC(=O)N1 3336AJ [0,1,0,0,0,0|2,0,1]=4 85 B9R1.2 O=C1CC(CO)CCN1 5141AE [0,1,0,0,0,0|2,0,1]=4 86 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,1,0,0,0,0|1,0,1]=3 87 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,1,0,0,0,0|1,0,1]=3 88 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,1,0,0,0,0|1,0,2]=4 89 B9R1.6 CC(=O)C1CCCCN1 Y5161 [0,1,0,0,0,0|1,0,2]=4 90 B9R1.6 CC(C)C1CCCCC1 8132AF [0,1,0,0,0,0|2,0,0]=3 91 B9R1.6 CC(C)C1CCNCC1 0139AB [0,1,0,0,0,0|3,0,0]=4 92 B9R1.6 CC(C)C1CNCCN1 W8710 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.6 CC(C)C1CNCCO1 4899AC [0,1,0,0,0,0|2,0,0]=3 94 B9R1.6 CC(C)C1COCCN1 5681AC [0,1,0,0,0,0|3,0,0]=4 95 B9R1.6 CC(C)[C@@H]1CNCCN1 W4351 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.6 CC(C)[C@H]1COCCN1 2212AC [0,1,0,0,0,0|3,0,0]=4 97 B9R1.6 CC(N)C1CCCCC1 7864AB [0,1,0,0,0,0|2,0,0]=3 98 B9R1.6 CC(O)C1CCNCC1 9889AB [0,1,0,0,0,0|2,0,0]=3 99 B9R1.6 FC(F)C1CCNCC1 X3005 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.6 N=C(N)C1CCCCC1 9640AJ [0,1,0,0,0,0|2,0,1]=4 101 B9R1.6 NC(=O)C1CNCCO1 Z7921 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.6 O=C(O)C1CCCNC1 8993AB [0,1,0,0,0,0|2,0,1]=4 103 B9R1.6 O=C(O)C1CCSCN1 6491AE [0,1,0,0,0,0|2,0,1]=4 104 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,1,0,0,0,0|1,0,1]=3 105 B9R1.6 O=C(O)C1COCCN1 W7764 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,1,0,0,0,0|2,0,1]=4 108 B9R1.6 OB(O)C1CCOCC1 1535AA [0,1,0,0,0,0|3,0,0]=4 109 B9R1.6 [C@@H]1(C(C)C)COCCN1 9521AF [0,1,0,0,0,0|3,0,0]=4 110 B9R1.8 C#CCN1CCCCC1 8568AB [0,1,0,0,0,0|3,0,0]=4 111 B9R1.8 C=C=CC1CCCCC1 X3409 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.8 C=CCC1CCCCC1 8125AF [0,1,0,0,0,0|2,0,0]=3 113 B9R1.8 CCCC1CCCCC1 8884AL [0,1,0,0,0,0|2,0,0]=3 114 B9R1.8 CCCC1CCCCN1 0725AP [0,1,0,0,0,0|2,0,0]=3 115 B9R1.8 CCCC1CCCNC1 3949AD [0,1,0,0,0,0|3,0,0]=4 116 B9R1.8 CCOC1CCNCC1 8927AC [0,1,0,0,0,0|3,0,0]=4 117 B9R1.8 CNCC1CCNCC1 7433AH [0,1,0,0,0,0|3,0,0]=4 118 B9R1.8 CNCC1CCOCC1 3758AL [0,1,0,0,0,0|3,0,0]=4 119 B9R1.8 CNCC1CCOCC1 Y9118 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.8 CNCC1CNCCO1 4348AJ [0,1,0,0,0,0|2,0,0]=3 121 B9R1.8 CNCC1CNCCO1 4349AJ [0,1,0,0,0,0|2,0,0]=3 122 B9R1.8 CNCC1COCCO1 8753AD [0,1,0,0,0,0|2,0,0]=3 123 B9R1.8 COCC1CCCCN1 Y2185 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.8 COCC1CCCNC1 8164AE [0,1,0,0,0,0|2,0,0]=3 125 B9R1.8 COCC1CNCCO1 7080AA [0,1,0,0,0,0|1,0,0]=2 126 B9R1.8 COCC1COCCN1 6470AC [0,1,0,0,0,0|2,0,0]=3 127 B9R1.8 COC[C@@H]1CNCCO1 6858AA [0,1,0,0,0,0|1,0,0]=2 128 B9R1.8 COC[C@H]1CNCCO1 6859AA [0,1,0,0,0,0|1,0,0]=2 129 B9R1.8 COC[C@H]1CNCCO1 7915AA [0,1,0,0,0,0|1,0,0]=2 130 B9R1.8 ClCCC1CCCCC1 1553AA [0,1,0,0,0,0|2,0,0]=3 131 B9R1.8 FCCC1CCCNC1 1487AD [0,1,0,0,0,0|3,0,0]=4 132 B9R1.8 N#CCC1CCCNC1 5589AE [0,1,0,0,0,0|3,0,0]=4 133 B9R1.8 N#CCC1CCNCC1 0362AB [0,1,0,0,0,0|3,0,0]=4 134 B9R1.8 N#CC[NH+]1CCCCC1 4301AL [0,1,0,0,0,0|3,0,0]=4 135 B9R1.8 NCCC1CCCCO1 W6097 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.8 NCCC1CCCNC1 2630AF [0,1,0,0,0,0|3,0,0]=4 137 B9R1.8 NCCC1CCCOC1 4614AF [0,1,0,0,0,0|3,0,0]=4 138 B9R1.8 OCCC1CCOCC1 W6406 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.8 OCCC1CNCCN1 W5547 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.8 OCC[C@H]1CNCCN1 Z4018 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.15 CC1CCCC\C1=N/O 8921AC [0,1,0,0,0,0|2,0,1]=4 142 B9R1.15 CCC1CCCCC1=O 6094AB [0,1,0,0,0,0|2,0,0]=3 143 B9R1.15 CCC1CCCCC1C 4843AL [0,1,0,0,0,0|2,0,0]=3 144 B9R1.15 CN1CCCCC1CBr 7321AC [0,1,0,0,0,0|2,0,0]=3 145 B9R1.15 CN1CCCC[C@@H]1CO 0570AC [0,1,0,0,0,0|1,0,0]=2 146 B9R1.15 CN1CCCC[C@H]1CO 6422AA [0,1,0,0,0,0|1,0,0]=2 147 B9R1.15 CN[C@@H]1CCCC[C@H]1O B568 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.15 CN[C@H]1CCCC[C@@H]1O B569 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.15 CN[C@H]1CCCC[C@H]1O 6910AD [0,1,0,0,0,0|3,0,0]=4 150 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [0,1,0,0,0,0|3,0,0]=4 151 B9R1.15 NN[C@@H]1CCCC[C@H]1O 8060AB [0,1,0,0,0,0|3,0,0]=4 152 B9R1.15 O=CC1CCCCC1=O 0719AD [0,1,0,0,0,0|1,0,2]=4 153 B9R1.118 CC1(C=O)CCCCC1 Y9621 [0,1,0,0,0,0|1,0,2]=4 154 B9R1.118 CC1(CO)CCCNC1 1221AB [0,1,0,0,0,0|2,0,0]=3 155 B9R1.118 CC1(CO)CCNCC1 6335AA [0,1,0,0,0,0|2,0,0]=3 156 B9R1.118 CCC1(O)CCCNC1 2888AA [0,1,0,0,0,0|3,0,0]=4 157 B9R1.118 CCC1(O)CCNCC1 5612AH [0,1,0,0,0,0|3,0,0]=4 158 B9R1.118 N#CC1(N)CCCCC1 1563AL [0,1,0,0,0,0|2,0,1]=4 159 B9R1.118 N#CC1(N)CCCCC1 V6566 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.118 NC1(CO)CCCCC1 3283AE [0,1,0,0,0,0|1,0,0]=2 161 B9R1.118 NCC1(O)CCOCC1 W7753 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.118 NCC1(O)CCSCC1 4018AC [0,1,0,0,0,0|3,0,0]=4 163 B9R1.118 OCC1(F)CCCCC1 X9192 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.118 OCC1(O)CCNCC1 4839AC [0,1,0,0,0,0|2,0,0]=3 165 B7R0.1 C#CCNCCCC 3830AE [0,0,1,0,0,0|2,0,1]=4 166 B7R0.1 C=CCCCCCCl 5718AC [0,0,1,0,0,0|2,0,1]=4 167 B7R0.1 C=CCOCCCC 7029AL [0,0,1,0,0,0|1,0,1]=3 168 B7R0.1 CCC#CCCCC 7931AF [0,0,1,0,0,0|2,0,1]=4 169 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,0,1,0,0,0|3,0,0]=4 170 B7R0.1 CCCCOCCCl 5574AL [0,0,1,0,0,0|1,0,0]=2 171 B7R0.1 CCCCOCCN 7133AE [0,0,1,0,0,0|1,0,0]=2 172 B7R0.1 CCCC\C=C\CO 9204AL [0,0,1,0,0,0|1,0,1]=3 173 B7R0.1 CC\C=C\CCCC 9221AL [0,0,1,0,0,0|2,0,1]=4 174 B7R0.1 COCCOCCI 0278AP [0,0,1,0,0,0|2,0,0]=3 175 B7R0.1 COCCOCCS 1037AQ [0,0,1,0,0,0|1,1,0]=3 176 B7R0.1 N#CCCSCCO 4958AD [0,0,1,0,0,0|1,1,1]=4 177 B7R0.1 O=CCCCCCCl Y9332 [0,0,1,0,0,0|1,0,2]=4 178 B7R0.1 OCCCNCCO 2316AL [0,0,1,0,0,0|1,0,0]=2 179 B7R0.1 OCC\C=C\CCO 0001AQ [0,0,1,0,0,0|0,0,2]=3 180 B7R0.3 C=C(CC)CCCC 5608AL [0,0,1,0,0,0|2,0,1]=4 181 B7R0.3 CC#CCC(O)CC 6775AL [0,0,1,0,0,0|1,0,2]=4 182 B7R0.3 CCC(Cl)CCCCl 4475AE [0,0,1,0,0,0|3,0,0]=4 183 B7R0.3 CCCCC(C)CC 6251AE [0,0,1,0,0,0|2,0,0]=3 184 B7R0.3 CCCCC(O)CC 8762AB [0,0,1,0,0,0|1,0,0]=2 185 B7R0.3 CCCC[C@H](N)CO 7337AH [0,0,1,0,0,0|1,0,0]=2 186 B7R0.3 CCC\C=C(/C)CC 6104AL [0,0,1,0,0,0|2,0,1]=4 187 B7R0.3 CCOCC(N)CC 8270AE [0,0,1,0,0,0|3,0,0]=4 188 B7R0.3 CCOCC(O)CN 1272AE [0,0,1,0,0,0|2,0,0]=3 189 B7R0.3 CC[C@H](C)CCCO 4203AL [0,0,1,0,0,0|3,0,0]=4 190 B7R0.3 COCO[C@@H](C)CO X7350 [0,0,1,0,0,0|1,0,0]=2 191 B7R0.3 CSCCC(N)CO 8517AA [0,0,1,0,0,0|2,0,0]=3 192 B7R0.12 CCNC(CC)CC 2358AE [0,0,1,0,0,0|2,0,0]=3 193 B7R0.12 CCN[C@@H](CC)CO 2889AC [0,0,1,0,0,0|1,0,0]=2 194 B7R0.12 COC(CCCl)OC 6016AL [0,0,1,0,0,0|3,0,0]=4 195 B9R2.24 C12CCC(CC1)C2Br 3754AD [0,0,0,1,0,0|2,0,0]=3 196 B9R2.24 [C@@H]12C=C[C@@H](CC1)[C@@H]2Br 6763AD [0,0,0,1,0,0|2,0,1]=4 197 B9R2.49 C1CC2CCC1CN2 2711AB [0,0,0,1,0,0|2,0,0]=3 198 B9R2.49 C1CC2CCC1CN2 6065AE [0,0,0,1,0,0|2,0,0]=3 199 B9R2.68 C1CC2CNCC1N2 Z5317 [0,0,0,1,0,0|3,0,0]=4 200 B9R2.68 C1CC2COCC1N2 2700AB [0,0,0,1,0,0|3,0,0]=4 201 B9R2.174 C1CC2(CCN1)CC2 0899AA [0,0,0,1,0,0|3,0,0]=4 202 B9R2.174 C1CCC2(CC1)CO2 V3970 [0,0,0,1,0,0|1,0,0]=2 203 B9R2.174 C1CNC2(CC2)CN1 6954AC [0,0,0,1,0,0|3,0,0]=4 204 B9R2.174 C1COC2(CC2)CN1 1157AB [0,0,0,1,0,0|2,0,0]=3 205 B9R2.174 C1COCC2(CC2)N1 3739AJ [0,0,0,1,0,0|3,0,0]=4 206 B7R1.1 BrCC1CCCN1 6324AA [0,0,0,0,1,0|2,0,0]=3 207 B7R1.1 BrCC1CCOC1 8390AA [0,0,0,0,1,0|2,0,0]=3 208 B7R1.1 C=CC1CCCC1 9406AL [0,0,0,0,1,0|1,0,1]=3 209 B7R1.1 CCC1CCCC1 7901AL [0,0,0,0,1,0|1,0,0]=2 210 B7R1.1 CCC1CCCN1 7143AC [0,0,0,0,1,0|2,0,0]=3 211 B7R1.1 CCC1CCNC1 9496AE [0,0,0,0,1,0|2,0,0]=3 212 B7R1.1 CCN1CCCC1 8555AL [0,0,0,0,1,0|2,0,0]=3 213 B7R1.1 CNC1CCNC1 2827AC [0,0,0,0,1,0|3,0,0]=4 214 B7R1.1 CNC1CCOC1 Z5570 [0,0,0,0,1,0|3,0,0]=4 215 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,0,0,0,1,0|3,0,0]=4 216 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,0,0,0,1,0|3,0,0]=4 217 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,0,0,0,1,0|3,0,0]=4 218 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,0,0,0,1,0|2,0,0]=3 219 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,0,0,0,1,0|2,0,0]=3 220 B7R1.1 N#CC1CCCO1 7250AA [0,0,0,0,1,0|1,0,1]=3 221 B7R1.1 N#CC1CCNC1 Y6938 [0,0,0,0,1,0|2,0,1]=4 222 B7R1.1 N#CC1CCOC1 X2033 [0,0,0,0,1,0|2,0,1]=4 223 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,0,0,0,1,0|2,0,1]=4 224 B7R1.1 NCC1CCCC1 3974AJ [0,0,0,0,1,0|1,0,0]=2 225 B7R1.1 NCC1CCCC1 3975AJ [0,0,0,0,1,0|1,0,0]=2 226 B7R1.1 NCC1CCNC1 0361AC [0,0,0,0,1,0|2,0,0]=3 227 B7R1.1 NCC1OCCO1 6055AB [0,0,0,0,1,0|2,0,0]=3 228 B7R1.1 NC[C@@H]1CCCN1 O008 [0,0,0,0,1,0|2,0,0]=3 229 B7R1.1 NC[C@H]1CCCN1 1217AC [0,0,0,0,1,0|2,0,0]=3 230 B7R1.1 NNC1CCCC1 9797AD [0,0,0,0,1,0|2,0,0]=3 231 B7R1.1 NNC1CCOC1 4448AJ [0,0,0,0,1,0|3,0,0]=4 232 B7R1.1 O=CN1CCCC1 0706AQ [0,0,0,0,1,0|1,0,2]=4 233 B7R1.1 OCC1CCNC1 W6601 [0,0,0,0,1,0|1,0,0]=2 234 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,0,0,0,1,0|2,0,0]=3 235 B9R1.89 CCN1CCCNCC1 Y8866 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.89 NCC1CCCCCC1 6135AB [0,0,0,0,0,1|2,0,0]=3 237 B9R1.89 OCC1CNCCCO1 5289AJ [0,0,0,0,0,1|0,0,0]=1 238 B9R1.89 ONC1=NCCCCC1 6477AD [0,0,0,0,0,1|2,0,1]=4 239 B9R1.89 [C-]#[N+]C1CCCCCC1 Z9758 [0,0,0,0,0,1|3,0,0]=4 240 B6R0.6 CC#CCCCC 5638AL [1,0,1,0,0,0|1,0,1]=4 241 B6R0.6 CCCCCSC 7567AF [1,0,1,0,0,0|2,0,0]=4 242 B6R0.6 CCCCOCC 7302AL [1,0,1,0,0,0|0,0,0]=2 243 B6R0.6 CCCOCCC 7558AF [1,0,1,0,0,0|1,0,0]=3 244 B6R0.6 CCCSCCC 7569AF [1,0,1,0,0,0|1,1,0]=4 245 B6R0.6 CCC\C=C/CO 7423AL [1,0,1,0,0,0|0,0,2]=4 246 B6R0.6 CCOCCNC 5385AD [1,0,1,0,0,0|1,0,0]=3 247 B6R0.6 CC\C=C\CCC 9219AL [1,0,1,0,0,0|1,0,1]=4 248 B6R0.6 C\C=C/CCCC 7422AL [1,0,1,0,0,0|1,0,1]=4 249 B6R0.6 C\C=C\CCCC 7780AF [1,0,1,0,0,0|1,0,1]=4 250 B6R0.6 NCCOCCN 1537AL [1,0,1,0,0,0|2,0,0]=4 251 B6R0.6 NCCSCCO 8189AD [1,0,1,0,0,0|1,1,0]=4 252 B6R0.1 C#CC(O)CCC X7102 [1,0,1,0,0,0|1,0,1]=4 253 B6R0.1 C=CC(C)CCC 6092AL [1,0,1,0,0,0|1,0,1]=4 254 B6R0.1 CCCC(Br)CC 3975AB [1,0,1,0,0,0|2,0,0]=4 255 B6R0.1 CCCC(C)CC 7810AF [1,0,1,0,0,0|1,0,0]=3 256 B6R0.1 CCCC(C)CO 1207AA [1,0,1,0,0,0|0,0,0]=2 257 B6R0.1 CCCC(O)CC 7557AF [1,0,1,0,0,0|1,0,0]=3 258 B6R0.1 CCC[C@@H](N)CO 2554AC [1,0,1,0,0,0|1,0,0]=3 259 B6R0.1 CCNC(C)CC 7145AD [1,0,1,0,0,0|1,0,0]=3 260 B6R0.1 CCNC(C)CO 8218AD [1,0,1,0,0,0|1,0,0]=3 261 B6R0.1 CCOC(=N)CC 8352AC [1,0,1,0,0,0|1,0,1]=4 262 B6R0.1 CCOC(C)CC 8956AL [1,0,1,0,0,0|0,0,0]=2 263 B6R0.1 CCOC(C)CN 0082AD [1,0,1,0,0,0|1,0,0]=3 264 B6R0.1 CC[C@H](C)CCO 4202AL [1,0,1,0,0,0|2,0,0]=4 265 B6R0.1 CNC(C)CCO 8891AD [1,0,1,0,0,0|2,0,0]=4 266 B6R0.1 CNCC(C)OC 1691AF [1,0,1,0,0,0|1,0,0]=3 267 B6R0.1 OCC[C@@H](O)CO W7968 [1,0,1,0,0,0|1,0,0]=3 268 B6R0.1 O[C@H](CBr)CCBr 9809AB [1,0,1,0,0,0|2,0,0]=4 269 B6R0.4 C=C(C)CCCC 5699AL [1,0,1,0,0,0|1,0,1]=4 270 B6R0.4 CC(C)CCCCl 6814AE [1,0,1,0,0,0|2,0,0]=4 271 B6R0.4 CC(C)NCCCl 9576AB [1,0,1,0,0,0|2,0,0]=4 272 B6R0.4 CC(C)SCCCl 3252AE [1,0,1,0,0,0|1,1,0]=4 273 B6R0.4 CCCC=C(C)C 5704AL [1,0,1,0,0,0|1,0,1]=4 274 B6R0.4 CCCCC(C)Br 5535AL [1,0,1,0,0,0|1,0,0]=3 275 B6R0.4 CCCCC(C)C 5734AL [1,0,1,0,0,0|1,0,0]=3 276 B6R0.4 CCCCC(C)Cl 5578AL [1,0,1,0,0,0|1,0,0]=3 277 B6R0.4 CCCCC(C)N 7573AF [1,0,1,0,0,0|1,0,0]=3 278 B6R0.4 CCCCC(C)O 9467AB [1,0,1,0,0,0|0,0,0]=2 279 B6R0.4 CCOCC(C)N 0535AD [1,0,1,0,0,0|2,0,0]=4 280 B6R0.9 CCC(CC)NC 7289AJ [1,0,1,0,0,0|2,0,0]=4 281 B6R0.9 CCC(CC)NN 1078AD [1,0,1,0,0,0|2,0,0]=4 282 B6R0.9 CCC(CN)OC 8133AC [1,0,1,0,0,0|1,0,0]=3 283 B6R0.9 CCC(CN)OC X2088 [1,0,1,0,0,0|1,0,0]=3 284 B6R0.9 CCC(CO)OC 5682AL [1,0,1,0,0,0|0,0,0]=2 285 B6R0.9 CCC(OC)OC 8873AL [1,0,1,0,0,0|2,0,0]=4 286 B6R1.1 C1CCONC1 9605AH [2,0,0,0,0,0|1,0,0]=3 287 B6R1.1 C1COCCO1 7285AL [2,0,0,0,0,0|1,0,0]=3 288 B6R1.1 C1CSCCN1 8883AB [2,0,0,0,0,0|1,1,0]=4 289 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,1,0,0,0|2,0,0]=4 290 B8R0.1 CCCCC(Br)CCC 7975AF [0,1,1,0,0,0|2,0,0]=4 291 B8R0.1 CCCCN(C)CCN 4806AD [0,1,1,0,0,0|2,0,0]=4 292 B8R0.4 C=CCCCCCCC 8130AF [0,1,1,0,0,0|2,0,0]=4 293 B8R0.4 CCCCCCCCC 8936AJ [0,1,1,0,0,0|2,0,0]=4 294 B8R0.4 CCCCCCCSC 8022AL [0,1,1,0,0,0|1,1,0]=4 295 B8R0.4 CCCNCCCNC 4534AE [0,1,1,0,0,0|2,0,0]=4 296 B8R0.4 CCC\C=C/CCCC 7450AL [0,1,1,0,0,0|2,0,0]=4 297 B8R0.4 CNCCCCCCO 4396AE [0,1,1,0,0,0|1,0,0]=3 298 B8R0.4 COCCCCCOC 4651AL [0,1,1,0,0,0|2,0,0]=4 299 B8R0.4 COCCNCCCN 6292AD [0,1,1,0,0,0|2,0,0]=4 300 B8R0.4 COCCOCCCBr 5812AL [0,1,1,0,0,0|1,0,0]=3 301 B8R0.4 N#CCCNCCCO 0976AE [0,1,1,0,0,0|1,0,1]=4 302 B8R0.4 NCCCNCCCO 2647AE [0,1,1,0,0,0|1,0,0]=3 303 B8R0.4 NCCCOCCCN 7195AL [0,1,1,0,0,0|2,0,0]=4 304 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,1,0,0,0|1,0,1]=4 305 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,1,0,0,0|1,0,1]=4 306 B8R0.6 NCCCC[C@H](N)CO 1979AA [0,1,1,0,0,0|1,0,0]=3 307 B8R0.7 CC(C)CNCCCO 9143AD [0,1,1,0,0,0|2,0,0]=4 308 B8R0.7 CC(C)COCCCN V5210 [0,1,1,0,0,0|2,0,0]=4 309 B8R0.7 CCCCCC[C@H](C)O D263 [0,1,1,0,0,0|1,0,0]=3 310 B8R0.7 CN(C)CCNCCO 2146AE [0,1,1,0,0,0|2,0,0]=4 311 B8R0.7 NC(=O)CCCCCO 3555AJ [0,1,1,0,0,0|0,0,2]=4 312 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,1,1,0,0,0|2,0,0]=4 313 B8R0.8 CCCCC(C)C(C)C 5236AL [0,1,1,0,0,0|2,0,0]=4 314 B8R0.8 CCCNC(C)C(C)C 2359AE [0,1,1,0,0,0|2,0,0]=4 315 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,1,0,0,0|1,0,1]=4 316 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,1,1,0,0,0|0,0,1]=3 317 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,1,1,0,0,0|1,0,1]=4 318 B8R0.9 CC(C)OCC(O)CN 9962AD [0,1,1,0,0,0|2,0,0]=4 319 B8R0.9 CCC(C)CCC(C)C 5380AL [0,1,1,0,0,0|2,0,0]=4 320 B8R0.9 CCC(C)CCC(C)O 6794AL [0,1,1,0,0,0|2,0,0]=4 321 B8R0.11 CCCCC(CO)CO 2148AL [0,1,1,0,0,0|0,0,0]=2 322 B8R0.19 CCC(C)OC(C)CC 8955AL [0,1,1,0,0,0|1,0,0]=3 323 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,1,1,0,0,0|1,0,1]=4 324 B8R0.25 CCCCC(C)(C)CC 5875AL [0,1,1,0,0,0|2,0,0]=4 325 B8R0.25 CCCCC(C)(O)CC 6103AL [0,1,1,0,0,0|1,0,0]=3 326 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,1,1,0,0,0|0,0,1]=3 327 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,1,1,0,0,0|1,0,1]=4 328 B8R0.16 COC(CC(C)O)OC 6025AJ [0,1,1,0,0,0|2,0,0]=4 329 B8R0.20 CCC(CN)N(C)CC 8292AC [0,1,1,0,0,0|2,0,0]=4 330 B8R0.22 CCCC(CC)CCC 6496AL [0,1,1,0,0,0|2,0,0]=4 331 B8R0.22 CCOC(CI)OCC 4776AE [0,1,1,0,0,0|1,0,0]=3 332 B8R0.22 COC(CSC)CSC 4527AL [0,1,1,0,0,0|1,1,0]=4 333 B8R1.3 CC1CCC(C)CC1 7953AF [1,1,0,0,0,0|1,0,0]=3 334 B8R1.3 CC1CCC(N)CC1 0306AA [1,1,0,0,0,0|1,0,0]=3 335 B8R1.3 CC1CNC(=O)CO1 6453AJ [1,1,0,0,0,0|1,0,1]=4 336 B8R1.3 CN1CCC(Br)CC1 7812AB [1,1,0,0,0,0|2,0,0]=4 337 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [1,1,0,0,0,0|1,0,0]=3 338 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [1,1,0,0,0,0|1,0,0]=3 339 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [1,1,0,0,0,0|1,0,0]=3 340 B8R1.3 NC1CCC(Br)CC1 6965AC [1,1,0,0,0,0|2,0,0]=4 341 B8R1.4 CC1CC(=O)CCN1 1072AC [1,1,0,0,0,0|1,0,1]=4 342 B8R1.4 CC1CC(O)CCN1 1810AJ [1,1,0,0,0,0|1,0,0]=3 343 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,1,0,0,0,0|1,0,1]=4 344 B8R1.4 CC1CCCC(N)C1 V8849 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.4 CC1CCCC(N)C1 W7860 [1,1,0,0,0,0|1,0,0]=3 346 B8R1.4 CC1CCOC(C)O1 5310AL [1,1,0,0,0,0|1,0,0]=3 347 B8R1.4 CC1CN(C)CCN1 Z2448 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.4 CC1COCC(C)N1 4497AA [1,1,0,0,0,0|2,0,0]=4 349 B8R1.4 CN1CCC[C@H](N)C1 9156AH [1,1,0,0,0,0|2,0,0]=4 350 B8R1.4 CN1CCC[C@H](N)C1 9157AH [1,1,0,0,0,0|2,0,0]=4 351 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [1,1,0,0,0,0|1,0,0]=3 353 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 1079AL [1,1,0,0,0,0|2,0,0]=4 354 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [1,1,0,0,0,0|1,0,0]=3 355 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [1,1,0,0,0,0|1,0,0]=3 356 B8R1.4 C[C@H]1CN(C)CCN1 2498AA [1,1,0,0,0,0|2,0,0]=4 357 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [1,1,0,0,0,0|2,0,0]=4 358 B8R1.4 C[C@H]1CNC[C@H](C)O1 8589AH [1,1,0,0,0,0|1,0,0]=3 359 B8R1.4 N[C@H]1CCC[C@@H](N)C1 6766AB [1,1,0,0,0,0|2,0,0]=4 360 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [1,1,0,0,0,0|2,0,0]=4 361 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [1,1,0,0,0,0|2,0,0]=4 362 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [1,1,0,0,0,0|1,0,0]=3 363 B8R1.5 CC1CCCCC1C 4454AL [1,1,0,0,0,0|1,0,0]=3 364 B8R1.5 CC1CCNCC1O 2895AJ [1,1,0,0,0,0|2,0,0]=4 365 B8R1.5 CC1CNCCC1O 3011AA [1,1,0,0,0,0|2,0,0]=4 366 B8R1.5 CC1COCCC1=O Z3955 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.5 CC1NCCNC1C 0452AF [1,1,0,0,0,0|2,0,0]=4 368 B8R1.5 CC1OCCNC1=O 5590AJ [1,1,0,0,0,0|1,0,1]=4 369 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [1,1,0,0,0,0|1,0,0]=3 370 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [1,1,0,0,0,0|2,0,0]=4 371 B8R1.5 C[C@@H]1CNCCN1C 8539AH [1,1,0,0,0,0|2,0,0]=4 372 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [1,1,0,0,0,0|1,0,0]=3 373 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [1,1,0,0,0,0|1,0,0]=3 374 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [1,1,0,0,0,0|1,0,0]=3 375 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl 9197AL [1,1,0,0,0,0|2,0,0]=4 376 B8R1.5 FC1CCCCC1Br 7512AE [1,1,0,0,0,0|2,0,0]=4 377 B8R1.5 NC1CCNCC1O 0385AQ [1,1,0,0,0,0|2,0,0]=4 378 B8R1.5 NC1COCCC1O Y6179 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [1,1,0,0,0,0|2,0,0]=4 380 B8R1.5 O=C1CCCCC1Br X5630 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.5 O=C1CCCCC1Cl 7902AJ [1,1,0,0,0,0|2,0,0]=4 382 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [1,1,0,0,0,0|1,0,0]=3 383 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [1,1,0,0,0,0|2,0,0]=4 384 B8R1.72 CC1(C)CCNCC1 5453AB [1,1,0,0,0,0|2,0,0]=4 385 B8R1.72 CC1(C)CNCCN1 1323AJ [1,1,0,0,0,0|2,0,0]=4 386 B8R1.72 CC1(C)CNCCO1 5391AD [1,1,0,0,0,0|1,0,0]=3 387 B8R1.72 CC1(C)COCCN1 2066AJ [1,1,0,0,0,0|2,0,0]=4 388 B8R1.72 CC1(N)CCCCC1 X6756 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.72 CC1(N)CCNCC1 6612AB [1,1,0,0,0,0|2,0,0]=4 390 B8R1.1 CN1CCC(CN)C1 5417AA [0,1,0,0,1,0|2,0,0]=4 391 B8R1.1 CN1CC[C@H](CO)C1 9151AH [0,1,0,0,1,0|1,0,0]=3 392 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 2847AB [0,1,0,0,1,0|0,0,2]=4 393 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,0,1,0|1,0,1]=4 394 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,0,1,0|0,0,1]=3 395 B8R1.1 O=C1CCC(CO)N1 9405AB [0,1,0,0,1,0|1,0,1]=4 396 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,0,1,0|1,0,1]=4 397 B8R1.1 OCC1CCC(O)C1 W1894 [0,1,0,0,1,0|0,0,0]=2 398 B8R1.7 CC(C)C1CCCN1 1823AL [0,1,0,0,1,0|2,0,0]=4 399 B8R1.7 CC(C)C1CCCN1 5075AH [0,1,0,0,1,0|2,0,0]=4 400 B8R1.7 CC(N)C1CCCC1 9818AH [0,1,0,0,1,0|1,0,0]=3 401 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,1,0,0,1,0|1,0,1]=4 402 B8R1.7 O=C(O)[C@@H]1CCOC1 W7757 [0,1,0,0,1,0|1,0,1]=4 403 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,1,0,0,1,0|1,0,1]=4 404 B8R1.8 BrCCN1CCCC1 2569AC [0,1,0,0,1,0|2,0,0]=4 405 B8R1.8 C#CCC1CCCC1 1097AQ [0,1,0,0,1,0|1,0,0]=3 406 B8R1.8 C=CCC1CCCC1 1184AQ [0,1,0,0,1,0|1,0,0]=3 407 B8R1.8 CCCC1CCNC1 9744AC [0,1,0,0,1,0|2,0,0]=4 408 B8R1.8 CCNC1CCCC1 0012AD [0,1,0,0,1,0|1,0,0]=3 409 B8R1.8 CCN[C@H]1CCNC1 4073AL [0,1,0,0,1,0|2,0,0]=4 410 B8R1.8 CCOC1CCNC1 2264AJ [0,1,0,0,1,0|2,0,0]=4 411 B8R1.8 CCOC1CCNC1 6283AB [0,1,0,0,1,0|2,0,0]=4 412 B8R1.8 CCO[C@@H]1CCNC1 8998AH [0,1,0,0,1,0|2,0,0]=4 413 B8R1.8 CCO[C@@H]1CCNC1 V3659 [0,1,0,0,1,0|2,0,0]=4 414 B8R1.8 CCO[C@H]1CCNC1 7072AA [0,1,0,0,1,0|2,0,0]=4 415 B8R1.8 CNCC1CCCC1 7687AE [0,1,0,0,1,0|1,0,0]=3 416 B8R1.8 CNCC1CCCC1 8911AH [0,1,0,0,1,0|1,0,0]=3 417 B8R1.8 CNCC1CCOC1 8650AE [0,1,0,0,1,0|2,0,0]=4 418 B8R1.8 CNCC1OCCO1 1363AQ [0,1,0,0,1,0|2,0,0]=4 419 B8R1.8 COC[C@@H]1CCNC1 8987AH [0,1,0,0,1,0|1,0,0]=3 420 B8R1.8 COC[C@H]1CCNC1 9152AH [0,1,0,0,1,0|1,0,0]=3 421 B8R1.8 ClCCN1CCCC1 6952AB [0,1,0,0,1,0|2,0,0]=4 422 B8R1.8 N#CCC1CCCO1 Z4607 [0,1,0,0,1,0|1,0,0]=3 423 B8R1.8 N#CCC1OCCO1 3973AL [0,1,0,0,1,0|2,0,0]=4 424 B8R1.8 NCCC1CCCO1 4604AF [0,1,0,0,1,0|1,0,0]=3 425 B8R1.8 NCCN1CCCC1 0059AC [0,1,0,0,1,0|2,0,0]=4 426 B8R1.8 OCCC1CCCC1 1930AC [0,1,0,0,1,0|0,0,0]=2 427 B8R1.8 OCCC1CCNC1 1286AJ [0,1,0,0,1,0|1,0,0]=3 428 B8R1.8 OCCN1CCCC1 3251AB [0,1,0,0,1,0|1,0,0]=3 429 B8R1.11 C#CC1CCCC1O 5544AJ [0,1,0,0,1,0|1,0,1]=4 430 B8R1.11 CN1CCC[C@H]1CN 0204AC [0,1,0,0,1,0|2,0,0]=4 431 B8R1.11 C[C@H]1CNC[C@@H]1CO Z5382 [0,1,0,0,1,0|1,0,0]=3 432 B8R1.11 NC1CCCC1CO 6199AB [0,1,0,0,1,0|0,0,0]=2 433 B8R1.11 O=C1CCCN1CO 7398AF [0,1,0,0,1,0|1,0,1]=4 434 B8R1.52 CC1(C#N)CCCO1 6624AD [0,1,0,0,1,0|1,0,1]=4 435 B8R1.52 CC1(CN)CCCO1 1153AC [0,1,0,0,1,0|1,0,0]=3 436 B8R1.52 CC1(CO)OCCO1 0058AA [0,1,0,0,1,0|1,0,0]=3 437 B8R1.52 CC[N+]1(C)CCCC1 4840AL [0,1,0,0,1,0|2,0,0]=4 438 B8R1.52 N#CC1(N)CCCC1 V9545 [0,1,0,0,1,0|1,0,1]=4 439 B8R1.52 N#CC1(O)CCCC1 1636AL [0,1,0,0,1,0|1,0,1]=4 440 B8R1.52 NCC1(N)CCCC1 6983AB [0,1,0,0,1,0|1,0,0]=3 441 B8R1.52 NCC1(O)CCCC1 W8313 [0,1,0,0,1,0|1,0,0]=3 442 B10R1.85 NCCC1CCCCCC1 3123AA [0,1,0,0,0,1|2,0,0]=4 443 B10R1.232 NC1(CO)CCCCCC1 0076AF [0,1,0,0,0,1|1,0,0]=3 444 B10R1.348 O=C(O)C1CNCCCO1 5563AJ [0,1,0,0,0,1|0,0,1]=3 445 B10R1.1 CCCC1CCC(N)CC1 6678AL [0,2,0,0,0,0|2,0,0]=4 446 B10R1.1 NCCC1CCC(N)CC1 5012AL [0,2,0,0,0,0|2,0,0]=4 447 B10R1.1 NCCC1CCC(O)CC1 6179AL [0,2,0,0,0,0|2,0,0]=4 448 B10R1.1 OCCC1CCC(O)CC1 6184AL [0,2,0,0,0,0|1,0,0]=3 449 B10R1.3 COC1CCC(CBr)CC1 4985AJ [0,2,0,0,0,0|2,0,0]=4 450 B10R1.3 NC[C@H]1CC[C@@H](CN)CC1 3922AJ [0,2,0,0,0,0|2,0,0]=4 451 B10R1.3 NC[C@H]1CC[C@H](CN)CC1 4673AJ [0,2,0,0,0,0|2,0,0]=4 452 B10R1.3 O=CN1CCC(CO)CC1 0310AF [0,2,0,0,0,0|2,0,0]=4 453 B10R1.13 CC(C)C1CCC(N)CC1 7402AB [0,2,0,0,0,0|2,0,0]=4 454 B10R1.13 CC(O)C1CCN(C)CC1 9372AH [0,2,0,0,0,0|2,0,0]=4 455 B10R1.26 NCC1CCC(F)(F)CC1 2580AC [0,2,0,0,0,0|2,0,0]=4 456 B10R1.10 CN1CCOC(CCO)C1 4476AF [0,2,0,0,0,0|1,0,0]=3 457 B10R1.171 CC1(C)CC(CO)CCO1 8441AH [0,2,0,0,0,0|2,0,0]=4 458 B10R1.172 NC[C@H]1CCC[C@@H](CN)C1 7406AL [0,2,0,0,0,0|2,0,0]=4 459 B10R1.15 C#CC(O)C1CCCCC1 Y6226 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.15 COC(=O)C1CNCCO1 X9978 [0,2,0,0,0,0|1,0,1]=4 461 B10R1.15 COC(=O)C1CNCCO1 Y1211 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.15 COC(=O)[C@@H]1CCCCN1 5103AC [0,2,0,0,0,0|1,0,1]=4 463 B10R1.28 CC(C)(C)C1CCCCC1 3476AB [0,2,0,0,0,0|2,0,0]=4 464 B10R1.28 CC(C)(O)C1CCCNC1 8426AD [0,2,0,0,0,0|2,0,0]=4 465 B10R1.28 FC(F)(F)C1CCCCN1 0132AQ [0,2,0,0,0,0|2,0,0]=4 466 B10R1.28 FC(F)(F)C1CNCCO1 1300AJ [0,2,0,0,0,0|2,0,0]=4 467 B10R1.61 NC1CCCCC1C(=O)O 1986AL [0,2,0,0,0,0|1,0,1]=4 468 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 1047AL [0,2,0,0,0,0|1,0,1]=4 469 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O C295 [0,2,0,0,0,0|1,0,1]=4 470 B10R1.61 O=C(O)C1CCCCC1O W7331 [0,2,0,0,0,0|1,0,1]=4 471 B10R1.363 CC1(C(=O)O)CCCCN1 1244AC [0,2,0,0,0,0|1,0,1]=4 472 B10R1.363 O=C(O)C1(F)CCCCC1 X9193 [0,2,0,0,0,0|1,0,1]=4 473 B10R1.4 CCCC1CCCCC1=O 8126AF [0,2,0,0,0,0|2,0,0]=4 474 B10R1.4 CN1CCCCC1CCO 7565AB [0,2,0,0,0,0|1,0,0]=3 475 B10R1.17 C#CCCC1CCCCC1 2709AL [0,2,0,0,0,0|2,0,0]=4 476 B10R1.17 C#CCNC1CCCCC1 6468AE [0,2,0,0,0,0|2,0,0]=4 477 B10R1.17 CCCNC1CCCCC1 1564AE [0,2,0,0,0,0|2,0,0]=4 478 B10R1.17 CNCCC1CCCCC1 1064AL [0,2,0,0,0,0|2,0,0]=4 479 B10R1.17 COCCC1CCCCN1 0883AF [0,2,0,0,0,0|1,0,0]=3 480 B10R1.17 COCCC1CCCNC1 4076AF [0,2,0,0,0,0|2,0,0]=4 481 B10R1.17 COCCC1CCNCC1 0968AC [0,2,0,0,0,0|2,0,0]=4 482 B10R1.17 NCCCC1CCCCC1 2801AF [0,2,0,0,0,0|2,0,0]=4 483 B10R1.17 NCCOC1CCCCC1 5274AJ [0,2,0,0,0,0|2,0,0]=4 484 B10R1.17 O=CCCC1CCCCC1 6024AB [0,2,0,0,0,0|1,0,1]=4 485 B10R1.17 OCCCC1CCCCN1 5623AJ [0,2,0,0,0,0|1,0,0]=3 486 B10R1.17 OCCCC1CCCNC1 1979AB [0,2,0,0,0,0|2,0,0]=4 487 B10R1.17 OCCOC1CCCCC1 5273AJ [0,2,0,0,0,0|1,0,0]=3 488 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,2,0,0,0,0|1,0,1]=4 489 B10R1.18 CC(C)CC1CCCCC1 8087AL [0,2,0,0,0,0|2,0,0]=4 490 B10R1.18 CC(C)CC1CNCCO1 5678AC [0,2,0,0,0,0|2,0,0]=4 491 B10R1.18 CC(N)CC1CCCCC1 7941AB [0,2,0,0,0,0|2,0,0]=4 492 B10R1.18 CC(N)CC1CCCCC1 7946AB [0,2,0,0,0,0|2,0,0]=4 493 B10R1.18 CN(C)CC1CNCCO1 4419AA [0,2,0,0,0,0|2,0,0]=4 494 B10R1.18 NC(=O)CC1CCCCC1 7534AA [0,2,0,0,0,0|1,0,1]=4 495 B10R1.18 O=C(O)CC1CCCCN1 0118AB [0,2,0,0,0,0|1,0,0]=3 496 B10R1.18 O=C(O)CC1CCCCN1 0196AB [0,2,0,0,0,0|1,0,0]=3 497 B10R1.18 O=C(O)CC1CCCOC1 7652AC [0,2,0,0,0,0|2,0,0]=4 498 B10R1.18 O=C(O)CC1CNCCO1 9486AA [0,2,0,0,0,0|1,0,0]=3 499 B10R1.18 O=C(O)CC1COCCN1 Z5224 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.18 O=C(O)CN1CCCCC1 V5165 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.377 CN1(CCO)CCCCC1 V4318 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.20 CCN1CCCCC1CN 1974AE [0,2,0,0,0,0|2,0,0]=4 503 B10R1.487 CCC1(CO)CCNCC1 3237AD [0,2,0,0,0,0|2,0,0]=4 504 B10R1.487 N#CC1(CCl)CCCCC1 8975AC [0,2,0,0,0,0|2,0,0]=4 505 B10R1.487 N#CC1(CO)CCOCC1 7309AC [0,2,0,0,0,0|2,0,0]=4 506 B10R1.487 OCC1(CO)CCNCC1 Y4211 [0,2,0,0,0,0|2,0,0]=4 507 B8R1.10 CCCOC1CNC1 2384AF [0,0,1,1,0,0|2,0,0]=4 508 B8R1.10 CCCOC1CNC1 Y4596 [0,0,1,1,0,0|2,0,0]=4 509 B8R1.22 CC1CCCNCC1 2641AE [0,0,1,1,0,0|2,0,0]=4 510 B8R1.22 CC1CCNCCN1 W4646 [0,0,1,1,0,0|2,0,0]=4 511 B8R1.22 ClC1CCCCCC1 1856AB [0,0,1,1,0,0|2,0,0]=4 512 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,0,1,1,0,0|2,0,0]=4 513 B8R1.22 OC1CCCNCC1 V5726 [0,0,1,1,0,0|2,0,0]=4 514 B8R1.22 OC1CCCNCC1 X9141 [0,0,1,1,0,0|2,0,0]=4 515 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,0,1,1,0,0|1,0,0]=3 516 B8R1.50 OC1OC[C@H](O)[C@H]1O 6453AC [0,0,1,1,0,0|2,0,0]=4 517 B8R1.82 CNCC1(CO)CC1 4479AF [0,0,1,1,0,0|2,0,0]=4 518 B8R2.18 OC1CC2CC2C1 4817AC [1,0,0,1,0,0|1,0,0]=3 519 B8R2.23 C1NCC2CC1O2 3619AJ [1,0,0,1,0,0|1,0,0]=3 520 B8R2.25 C1=CC2OC2CC1 0136AQ [1,0,0,1,0,0|1,0,1]=4 521 B8R2.34 C12CCC(CC1)O2 6894AL [1,0,0,1,0,0|1,0,0]=3 522 B8R2.34 [C@@H]12CN[C@@H](CN1)C2 1392AJ [1,0,0,1,0,0|2,0,0]=4 523 B10R2.409 C1CN2CCC(CC2)N1 7517AA [0,0,0,1,0,1|2,0,0]=4 524 B10R2.62 C12CCN(CC1)C[C@H]2O 2953AH [0,1,0,1,0,0|2,0,0]=4 525 B10R2.71 [C@H]12CC[C@H](C[C@@H](O)C1)N2 3428AL [0,1,0,1,0,0|2,0,0]=4 526 B10R2.99 [C@@H]12CC[C@@H](O1)C(CN)C2 4751AD [0,1,0,1,0,0|2,0,0]=4 527 B10R2.408 C1CC2CCCC(C1)N2 2721AB [0,1,0,1,0,0|2,0,0]=4 528 B10R2.408 C1CC2CCCC(C1)N2 3806AJ [0,1,0,1,0,0|2,0,0]=4 529 B10R2.408 C1NCC2COCC1C2 5919AJ [0,1,0,1,0,0|2,0,0]=4 530 B10R2.7 C1CNC2CNCC2C1 5135AJ [0,1,0,1,0,0|2,0,0]=4 531 B10R2.484 C1CC2(CCN1)COC2 0776AQ [0,1,0,1,0,0|2,0,0]=4 532 B10R2.484 C1CC2(CCN1)COC2 6642AA [0,1,0,1,0,0|2,0,0]=4 533 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,0,1,0|0,0,2]=4 534 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,0,1,0|0,0,2]=4 535 B6R1.2 CC1CCCN1 0591AQ [1,0,0,0,1,0|1,0,0]=3 536 B6R1.2 CC1CCCS1 7972AJ [1,0,0,0,1,0|0,1,0]=3 537 B6R1.2 CC1CCNC1 X9461 [1,0,0,0,1,0|1,0,0]=3 538 B6R1.2 CC1CCOC1 6124AL [1,0,0,0,1,0|1,0,0]=3 539 B6R1.2 CC1COCO1 6593AL [1,0,0,0,1,0|1,0,0]=3 540 B6R1.2 CC1OCCO1 7260AF [1,0,0,0,1,0|1,0,0]=3 541 B6R1.2 C[C@@H]1CCCN1 V2030 [1,0,0,0,1,0|1,0,0]=3 542 B6R1.2 FC1CCCC1 7941AL [1,0,0,0,1,0|1,0,0]=3 543 B6R1.2 FC1CCNC1 W3697 [1,0,0,0,1,0|2,0,0]=4 544 B6R1.2 FC1CCNC1 X9172 [1,0,0,0,1,0|2,0,0]=4 545 B6R1.2 F[C@H]1CCNC1 9169AH [1,0,0,0,1,0|2,0,0]=4 546 B6R1.2 NC1CCOC1 W9158 [1,0,0,0,1,0|2,0,0]=4 547 B6R1.2 NN1CCCC1 8436AA [1,0,0,0,1,0|2,0,0]=4 548 B6R1.2 N[C@H]1CCNC1 N118 [1,0,0,0,1,0|2,0,0]=4 549 B6R1.2 N[C@H]1CCOC1 W4304 [1,0,0,0,1,0|2,0,0]=4 550 B6R1.2 OC1CNOC1 0177AF [1,0,0,0,1,0|2,0,0]=4 551 B6R1.2 O[C@H]1CCSC1 Y1948 [1,0,0,0,1,0|1,0,0]=3 552 B6R1.6 ClCC1COC1 2027AJ [0,0,0,0,2,0|2,0,0]=4 553 B6R1.6 NCC1CCN1 0858AA [0,0,0,0,2,0|2,0,0]=4 554 B6R1.6 NCC1CCN1 6521AH [0,0,0,0,2,0|2,0,0]=4 555 B6R1.6 NCC1CCO1 V8594 [0,0,0,0,2,0|1,0,0]=3 556 B6R1.6 NCC1CNC1 2747AA [0,0,0,0,2,0|2,0,0]=4 557 B6R1.6 NCC1COC1 W7450 [0,0,0,0,2,0|2,0,0]=4 558 B6R1.6 NNC1CCC1 3961AJ [0,0,0,0,2,0|2,0,0]=4