0 B7R1.3 BrC1CCNCC1 AC511729 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 BrC1CCOCC1 AC182117 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 C1CSCCC1O LN00163913 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.3 C=C1CCNCC1 AC050993 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 C=C1CCNCC1 AC220141 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 C=C1CCOCC1 AC220043 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1=CCCCC1 AC220166 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.3 CC1=CCNCC1 AC250025 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.3 CC1=CCOCC1 AC220042 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.3 CC1CNCCO1 AC182283 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 CC1CNCCO1 LN00002207 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.3 CC1COCCN1 LN00001061 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 C[C@@H]1COCCN1 AC182578 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 C[C@H]1CNCCO1 LN00221210 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.3 C[C@H]1COCCN1 AC020353 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.3 C[C@H]1COCCN1 LN00009351 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.3 ClC1CCOCC1 AC220190 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.3 FC1CCCNC1 AC160531 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.3 IC1CCOCC1 AC220044 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.3 NC1CCCNC1 AC180284 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.3 NC1CCNCC1 AC220142 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.3 NC1CCOCC1 AC180691 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.3 NC1CCOCC1 AC220011 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.3 NC1CCSCC1 AC040153 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.3 NN1CCCCC1 AC160501 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.3 NN1CCCCC1 AC510696 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.3 NN1CCOCC1 AC130024 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 N[C@@H]1CCCNC1 AC020138 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 O=C1CCCOC1 AC220056 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.3 O=C1CCOCC1 AC180169 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.3 O=C1CCSCC1 AC180170 [0,0,0,0,0,0|1,0,0]=1 32 B7R1.3 O=C1CNCCN1 AC181220 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.3 O=C1COCCN1 AC130162 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 OC1CCCNC1 AC180283 [0,0,0,0,0,0|1,0,2]=3 35 B7R1.3 OC1CCCOC1 AC220041 [0,0,0,0,0,0|1,0,2]=3 36 B7R1.3 OC1CCNCC1 AC180401 [0,0,0,0,0,0|1,0,2]=3 37 B7R1.3 OC1CCNCC1 AC220140 [0,0,0,0,0,0|1,0,2]=3 38 B7R1.3 OC1CCOCC1 AC220010 [0,0,0,0,0,0|1,0,2]=3 39 B7R1.3 OC1CCSCC1 AC010334 [0,0,0,0,0,0|1,0,2]=3 40 B7R1.3 O[C@@H]1CCCNC1 AC511587 [0,0,0,0,0,0|1,0,2]=3 41 B7R1.3 O[C@H]1CCCNC1 AC181658 [0,0,0,0,0,0|1,0,2]=3 42 B6R1.1 C1CC=CCO1 AC220033 [1,0,0,0,0,0|1,0,1]=3 43 B6R1.1 C1CC=CCS1 AC010335 [1,0,0,0,0,0|1,0,1]=3 44 B6R1.1 C1CCNCC1 AC511092 [1,0,0,0,0,0|1,0,0]=2 45 B6R1.1 C1CCNNC1 LN00001482 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.1 C1CCNNC1 LN00009925 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.1 C1CCONC1 AC070036 [1,0,0,0,0,0|2,0,0]=3 48 B6R1.1 C1CCONC1 LN00001538 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.1 C1CNCCN1 HY-B0912 [1,0,0,0,0,0|2,0,0]=3 50 B6R1.1 C1COC=CC1 AC220191 [1,0,0,0,0,0|1,0,1]=3 51 B6R1.1 C1CSCCN1 AC500065 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.1 C1CSCSC1 AC130234 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 BrCC1CCCCC1 AC500277 [0,1,0,0,0,0|1,0,1]=3 54 B8R1.2 BrCC1CCNCC1 AC160050 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.2 BrCC1CCOCC1 AC181709 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.2 C1CC(CF)CNC1 LN00169987 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.2 C1CNCCC1CBr LN00191121 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.2 C1COCCC1CI LN00003775 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.2 C1COCCC1CN LN00001650 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.2 C1COCCC1NN LN00006042 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.2 CNC1CCCCC1 AC500155 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.2 CNC1CCOCC1 AC220045 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.2 FCC1CCCNC1 AC160126 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.2 FCC1CCNCC1 AC160366 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.2 ICC1CCOCC1 AC170132 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.2 N#CC1=CCCCO1 AC170032 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.2 NNC1CCCCC1 AC510702 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.2 NNC1CCOCC1 AC020042 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.2 NOC1CCCCO1 AC500056 [0,1,0,0,0,0|1,0,2]=4 70 B8R1.2 O=CC1CCOCC1 AC220055 [0,1,0,0,0,0|1,0,1]=3 71 B8R1.2 OCC1CCCNC1 AC180122 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.2 OCC1CCCOC1 AC050373 [0,1,0,0,0,0|1,0,2]=4 73 B8R1.2 OCC1CCNCC1 AC180829 [0,1,0,0,0,0|1,0,2]=4 74 B8R1.2 OCC1CCOCC1 AC181017 [0,1,0,0,0,0|1,0,2]=4 75 B8R1.2 OC[C@@H]1CCCCN1 AC160434 [0,1,0,0,0,0|1,0,2]=4 76 B8R1.2 [C-]#[N+]C1CCCCC1 AC190311 [0,1,0,0,0,0|1,0,1]=3 77 B8R1.3 CN1CCC(O)CC1 AC511326 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.3 C[C@H]1CC[C@H](N)CC1 AC182092 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.3 NC1CCC(=O)CC1 AC511876 [0,1,0,0,0,0|0,0,0]=1 80 B8R1.3 N[C@H]1CC[C@H](N)CC1 AC500280 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.3 OC1CCC(=O)CC1 AC070138 [0,1,0,0,0,0|0,0,0]=1 82 B8R1.3 OC1CCC(=O)NC1 AC050438 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.4 CC1CCCC(N)C1 AC050625 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.4 CN1CCC=C(Br)C1 AC160405 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.4 CN1CCCC(=O)C1 AC182125 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.4 CN1CCCC(N)C1 AC190086 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.4 CN1CCNC(=O)C1 AC182677 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.4 CN1CCOC(=O)C1 AC170002 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.4 NC1CCCC(O)C1 AC310112 [0,1,0,0,0,0|0,0,2]=3 94 B8R1.4 O=C1CCCC(=O)C1 AC510798 [0,1,0,0,0,0|0,0,1]=2 95 B8R1.4 O=C1CNCC(=O)N1 AC182622 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.5 CC1CNCCC1=O AC050554 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.5 CC1CNCCC1=O AC050590 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.5 CC1CNCCC1=O LN00001086 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.5 CC1CNCCN1C AC511879 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.5 CC1COCCC1=O AC182732 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.5 CC1COCCC1N AC050303 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.5 CN1CCNCC1=O AC180697 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.5 C[C@@H]1CCNC[C@@H]1O LN00001944 [0,1,0,0,0,0|1,0,2]=4 105 B8R1.5 C[C@@H]1CCNC[C@H]1O LN00001670 [0,1,0,0,0,0|1,0,2]=4 106 B8R1.5 N[C@@H]1CCCC[C@H]1N AC021058 [0,1,0,0,0,0|1,0,1]=3 107 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-17371 [0,1,0,0,0,0|1,0,1]=3 108 B8R1.5 N[C@@H]1CCCC[C@H]1O AC182207 [0,1,0,0,0,0|0,0,2]=3 109 B8R1.5 N[C@H]1CCCC[C@@H]1N AC021057 [0,1,0,0,0,0|1,0,1]=3 110 B8R1.5 N[C@H]1CCCC[C@@H]1O AC130140 [0,1,0,0,0,0|0,0,2]=3 111 B8R1.5 N[C@H]1CCCC[C@H]1N AC511022 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.5 N[C@H]1CCCNC1=O AC182393 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.5 O=C1CCCCC1=O AC500073 [0,1,0,0,0,0|0,0,1]=2 114 B8R1.72 CC1(C)CCNCC1 AC511246 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.72 CC1(O)CCNCC1 AC020360 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.72 CC1(O)CCNCC1 AC220196 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.72 FC1(F)CCCNC1 AC160452 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.72 FC1(F)CCNCC1 AC160248 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.72 O=S1(=O)CCNCC1 AC500072 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.72 O=S1(=O)CCNCC1 AC511235 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.1 CCC(C)CNC AC010501 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.1 CCC(C)CNC AC010533 [0,0,1,0,0,0|2,0,1]=4 123 B6R0.1 CCCC(C)NC AC010486 [0,0,1,0,0,0|2,0,1]=4 124 B6R0.1 CCCC(C)NC AC010524 [0,0,1,0,0,0|2,0,1]=4 125 B6R0.1 CCC[C@H](N)CO AC020141 [0,0,1,0,0,0|2,0,1]=4 126 B6R0.1 CCOC(=O)CI AC131813 [0,0,1,0,0,0|2,0,0]=3 127 B6R0.1 CCOC(=O)CO AC130521 [0,0,1,0,0,0|2,0,0]=3 128 B6R0.1 CCOC(=O)CS AC130132 [0,0,1,0,0,0|2,0,0]=3 129 B6R0.1 COC(=O)CCBr AC511067 [0,0,1,0,0,0|2,0,0]=3 130 B6R0.1 COC(=O)CCN AC510724 [0,0,1,0,0,0|2,0,0]=3 131 B6R0.4 CC(=O)CCCCl AC511746 [0,0,1,0,0,0|1,0,0]=2 132 B6R0.4 CC(=O)OCCBr AC511000 [0,0,1,0,0,0|2,0,0]=3 133 B6R0.4 CC(C)CCCO AC510897 [0,0,1,0,0,0|2,0,1]=4 134 B6R0.4 CCCCB(O)O AC090160 [0,0,1,0,0,0|2,0,1]=4 135 B6R0.4 CCCOC(N)=O AC512151 [0,0,1,0,0,0|2,0,0]=3 136 B6R0.4 CN(C)CCCBr AC182623 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.4 CN(C)CCCCl AC500093 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.4 CN(C)CCCCl AC512046 [0,0,1,0,0,0|3,0,0]=4 139 B6R0.4 CNCCC(C)C AC010487 [0,0,1,0,0,0|2,0,1]=4 140 B6R0.4 CNCCC(C)C AC010537 [0,0,1,0,0,0|2,0,1]=4 141 B6R0.4 COCCC(O)=O AC100057 [0,0,1,0,0,0|2,0,0]=3 142 B6R0.4 CSCCC(O)=O HY-101401 [0,0,1,0,0,0|2,0,0]=3 143 B6R0.4 OC(=O)CCC#C AC510868 [0,0,1,0,0,0|1,0,2]=4 144 B6R0.4 OC(=O)CCC#N AC512077 [0,0,1,0,0,0|2,0,1]=4 145 B6R0.4 OC(=O)CCC=C AC511045 [0,0,1,0,0,0|1,0,2]=4 146 B6R0.4 OC(=O)CCCBr AC511629 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.4 [O-]C(=O)CCC#C HY-15286 [0,0,1,0,0,0|1,0,2]=4 148 B6R0.6 BrCCCCC#N AC130360 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.6 ClCCCCC=O AC511901 [0,0,1,0,0,0|1,0,0]=2 150 B6R0.6 OCCCCC#N AC130361 [0,0,1,0,0,0|2,0,1]=4 151 B6R0.6 OCCCCC=O AC511239 [0,0,1,0,0,0|1,0,0]=2 152 B6R0.6 OCCCCCBr AC500312 [0,0,1,0,0,0|1,0,2]=4 153 B6R1.2 BrC1CCOC1 AC190141 [0,0,0,0,1,0|2,0,1]=4 154 B6R1.2 C1CNCC1F LN00001937 [0,0,0,0,1,0|2,0,1]=4 155 B6R1.2 C1CNC[C@@H]1O LN00165601 [0,0,0,0,1,0|1,0,2]=4 156 B6R1.2 C1COCC1I LN00003379 [0,0,0,0,1,0|2,0,1]=4 157 B6R1.2 C1COC[C@H]1O LN00007278 [0,0,0,0,1,0|1,0,2]=4 158 B6R1.2 C1CSCC1=O LN00009539 [0,0,0,0,1,0|1,0,0]=2 159 B6R1.2 CC1=CCCC1 AC220188 [0,0,0,0,1,0|1,0,1]=3 160 B6R1.2 CC1CCNC1 LN00002080 [0,0,0,0,1,0|2,0,1]=4 161 B6R1.2 C[C@@H]1CCCN1 AC200009 [0,0,0,0,1,0|2,0,1]=4 162 B6R1.2 ClC1CCOC1 AC220018 [0,0,0,0,1,0|2,0,1]=4 163 B6R1.2 F[C@@H]1CCNC1 AC511015 [0,0,0,0,1,0|2,0,1]=4 164 B6R1.2 F[C@H]1CCNC1 AC511044 [0,0,0,0,1,0|2,0,1]=4 165 B6R1.2 IC1CCOC1 AC220019 [0,0,0,0,1,0|2,0,1]=4 166 B6R1.2 NC1=NCCC1 AC020022 [0,0,0,0,1,0|2,0,0]=3 167 B6R1.2 NC1CCNC1 AC220157 [0,0,0,0,1,0|2,0,1]=4 168 B6R1.2 NC1CCOC1 AC220015 [0,0,0,0,1,0|2,0,1]=4 169 B6R1.2 NN1CCCC1 AC160502 [0,0,0,0,1,0|2,0,0]=3 170 B6R1.2 O=C1CC=NN1 AC250038 [0,0,0,0,1,0|2,0,1]=4 171 B6R1.2 O=C1CCNC1 AC220156 [0,0,0,0,1,0|1,0,0]=2 172 B6R1.2 O=C1CCNC1 AC511910 [0,0,0,0,1,0|1,0,0]=2 173 B6R1.2 O=C1CCNN1 AC130160 [0,0,0,0,1,0|2,0,0]=3 174 B6R1.2 O=C1CCOC1 AC220014 [0,0,0,0,1,0|1,0,0]=2 175 B6R1.2 O=C1NCCO1 AC510795 [0,0,0,0,1,0|2,0,0]=3 176 B6R1.2 OC1CCCC1 AC190215 [0,0,0,0,1,0|0,0,2]=3 177 B6R1.2 OC1CCNC1 AC181524 [0,0,0,0,1,0|1,0,2]=4 178 B6R1.2 OC1CCOC1 AC021063 [0,0,0,0,1,0|1,0,2]=4 179 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,0,0,0,1,0|1,0,2]=4 180 B6R1.2 O[C@H]1CCNC1 AC021101 [0,0,0,0,1,0|1,0,2]=4 181 B6R1.2 O[C@H]1CCNC1 AC510620 [0,0,0,0,1,0|1,0,2]=4 182 B6R1.2 O[C@H]1CCOC1 AC180577 [0,0,0,0,1,0|1,0,2]=4 183 B8R1.22 C1CNCCN=C1O LN00119415 [0,0,0,0,0,1|1,0,1]=3 184 B8R1.22 CC1CCCCCN1 LN00112400 [0,0,0,0,0,1|1,0,1]=3 185 B8R1.22 CC1CCCCNC1 LN00001181 [0,0,0,0,0,1|1,0,1]=3 186 B8R1.22 CC1CNCCCO1 LN00001905 [0,0,0,0,0,1|2,0,1]=4 187 B8R1.22 NC1CCCCNC1 AC181454 [0,0,0,0,0,1|1,0,1]=3 188 B8R1.22 O=C1CCCCC=C1 AC510631 [0,0,0,0,0,1|0,0,1]=2 189 B8R1.22 O=C1CCCNCC1 AC170015 [0,0,0,0,0,1|0,0,0]=1 190 B8R1.22 O=C1CCNCCN1 AC182497 [0,0,0,0,0,1|1,0,0]=2 191 B8R1.22 O=C1CNCCCN1 AC182793 [0,0,0,0,0,1|1,0,0]=2 192 B5R0.1 CC(=O)CC#N AC511126 [1,0,1,0,0,0|1,0,1]=4 193 B5R0.1 CCCC([O-])=O HY-B0350A [1,0,1,0,0,0|1,0,0]=3 194 B5R0.1 CCOC(C)=N AC510695 [1,0,1,0,0,0|2,0,0]=4 195 B5R0.1 CCOC(N)=O HY-B1207 [1,0,1,0,0,0|2,0,0]=4 196 B5R0.1 CNCC(O)=O AC500168 [1,0,1,0,0,0|2,0,0]=4 197 B5R0.1 NCCC(N)=O AC510910 [1,0,1,0,0,0|2,0,0]=4 198 B5R0.2 BrCCCC=C AC500173 [1,0,1,0,0,0|1,0,1]=4 199 B5R0.2 C(CCI)CCl LN00199790 [1,0,1,0,0,0|2,0,0]=4 200 B5R0.2 CNCCCO AC510766 [1,0,1,0,0,0|1,0,1]=4 201 B5R0.2 NCCCCBr AC511924 [1,0,1,0,0,0|2,0,0]=4 202 B5R0.2 NCCCCO AC180225 [1,0,1,0,0,0|1,0,1]=4 203 B5R0.2 OCCCCBr AC030135 [1,0,1,0,0,0|1,0,1]=4 204 B5R0.3 COC(=O)CO AC190202 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.3 COC(=O)CCCBr AC511051 [0,1,1,0,0,0|1,0,0]=3 206 B7R0.3 COC(=O)CCCN AC510644 [0,1,1,0,0,0|1,0,0]=3 207 B7R0.5 CCOC(=N)C(C)C AC200066 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.5 CCOC(=O)C(F)F AC510778 [0,1,1,0,0,0|2,0,0]=4 209 B7R0.7 CCCC(O)COC AC010185 [0,1,1,0,0,0|0,0,2]=4 210 B7R0.7 CCOC(=O)CCBr AC510407 [0,1,1,0,0,0|1,0,0]=3 211 B7R0.7 CCOC(=O)CCI AC180478 [0,1,1,0,0,0|1,0,0]=3 212 B7R0.7 CCOC(=O)CNN AC180293 [0,1,1,0,0,0|2,0,0]=4 213 B7R0.7 COCC(=O)COC AC512018 [0,1,1,0,0,0|1,0,0]=3 214 B7R0.7 ClCCC(=O)CCCl AC270026 [0,1,1,0,0,0|1,0,0]=3 215 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [0,1,1,0,0,0|2,0,0]=4 216 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,1,0,0,0|2,0,0]=4 217 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.4 CCCCCC(C)N HY-B0952 [0,1,1,0,0,0|1,0,1]=4 219 B7R0.4 COCCCC(O)=O AC100091 [0,1,1,0,0,0|1,0,0]=3 220 B7R0.6 CC(=O)CCC(C)=O AC130061 [0,1,1,0,0,0|0,0,1]=3 221 B7R0.6 CC(C)NNC(C)=O AC021553 [0,1,1,0,0,0|2,0,0]=4 222 B7R0.6 CN(C)CCC(O)=O AC511515 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.1 NCCCCCCO AC511691 [0,1,1,0,0,0|0,0,2]=4 224 B7R0.1 OCCCCCC#C AC510906 [0,1,1,0,0,0|1,0,1]=4 225 B7R1.1 BrCC1CCCC1 AC511868 [0,1,0,0,1,0|1,0,1]=4 226 B7R1.1 C1CCC(C1)C=O LN00189003 [0,1,0,0,1,0|0,0,1]=3 227 B7R1.1 NCC1CCCC1 AC050593 [0,1,0,0,1,0|1,0,1]=4 228 B7R1.1 NNC1CCCC1 AC050475 [0,1,0,0,1,0|1,0,1]=4 229 B7R1.1 NNC1CCCC1 AC050611 [0,1,0,0,1,0|1,0,1]=4 230 B7R1.1 O=CC1CCCC1 AC020554 [0,1,0,0,1,0|0,0,1]=3 231 B7R1.1 O=CC1CCOC1 AC220027 [0,1,0,0,1,0|1,0,1]=4 232 B7R1.1 OCC1CCCC1 AC180018 [0,1,0,0,1,0|0,0,2]=4 233 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,1,0,0,1,0|1,0,0]=3 234 B7R1.2 CN1CCC(C1)O LN00004977 [0,1,0,0,1,0|2,0,0]=4 235 B7R1.2 CN1CCC(N)C1 AC182540 [0,1,0,0,1,0|2,0,0]=4 236 B7R1.2 CN1CCC(O)C1 AC021691 [0,1,0,0,1,0|2,0,0]=4 237 B7R1.2 CN1CC[C@H](C1)O LN00170776 [0,1,0,0,1,0|2,0,0]=4 238 B7R1.2 CN1CC[C@H](O)C1 AC181714 [0,1,0,0,1,0|2,0,0]=4 239 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [0,1,0,0,1,0|1,0,0]=3 240 B7R1.2 O=C1CCC(=O)C1 AC170075 [0,1,0,0,1,0|0,0,1]=3 241 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,1,0,0,1,0|1,0,0]=3 242 B7R1.4 BrC1CCOC1=O AC130063 [0,1,0,0,1,0|1,0,0]=3 243 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [0,1,0,0,1,0|0,0,2]=4 244 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [0,1,0,0,1,0|0,0,2]=4 245 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [0,1,0,0,1,0|0,0,2]=4 246 B7R1.4 NN1CCCC1=O AC050447 [0,1,0,0,1,0|1,0,0]=3 247 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [0,1,0,0,1,0|0,0,2]=4 248 B7R1.4 N[C@@H]1CCOC1=O AC511454 [0,1,0,0,1,0|1,0,0]=3 249 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,0,1,0|2,0,0]=4 250 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [0,1,0,0,1,0|0,0,2]=4 251 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [0,1,0,0,1,0|0,0,2]=4 252 B7R1.4 N[C@H]1CCOC1=O AC511602 [0,1,0,0,1,0|1,0,0]=3 253 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,0,1,0|1,0,0]=3 254 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,0,1,0|2,0,0]=4 255 B7R1.4 O[C@H]1CCNC1=O AC182048 [0,1,0,0,1,0|1,0,0]=3 256 B7R1.14 O=S1(=O)CCCN1 AC130245 [0,1,0,0,1,0|2,0,0]=4 257 B9R1.5 CC1CCNCCC1=O LN00001918 [0,1,0,0,0,1|0,0,0]=2 258 B9R1.5 CC1CCNCCC1O LN00001096 [0,1,0,0,0,1|0,0,2]=4 259 B9R1.5 NC1CCCCNC1=O AC021266 [0,1,0,0,0,1|0,0,0]=2 260 B9R1.5 NC1CCCCNC1=O AC180582 [0,1,0,0,0,1|0,0,0]=2 261 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [0,1,0,0,0,1|0,0,0]=2 262 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [0,1,0,0,0,1|0,0,0]=2 263 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,1,0,0,0,1|0,0,0]=2 264 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,1,0,0,0,1|0,0,0]=2 265 B9R1.49 CN1CCNC(=O)CC1 AC182365 [0,1,0,0,0,1|1,0,0]=3 266 B9R1.89 OC[C@@H]1CCCCCN1 AC020186 [0,1,0,0,0,1|0,0,2]=4 267 B9R1.1 CCN1CCC(O)CC1 AC021227 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.1 CN1CCC(CN)CC1 AC510937 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.1 CN1CCC(CO)CC1 AC181622 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.1 CNC1CCC(O)CC1 AC330005 [0,2,0,0,0,0|0,0,2]=4 271 B9R1.1 CNC1CCN(C)CC1 AC180167 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.1 COC1CCC(=O)CC1 AC511834 [0,2,0,0,0,0|0,0,0]=2 273 B9R1.1 COC1CCC(N)CC1 AC182760 [0,2,0,0,0,0|0,0,2]=4 274 B9R1.1 O=C1CCC(CC1)C#N AC050515 [0,2,0,0,0,0|0,0,0]=2 275 B9R1.1 OC1CCC(CC1)C#N AC182735 [0,2,0,0,0,0|0,0,2]=4 276 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.6 CC(=O)C1CCCCC1 AC510963 [0,2,0,0,0,0|0,0,1]=3 279 B9R1.6 CC(=O)C1CCOCC1 AC220050 [0,2,0,0,0,0|1,0,1]=4 280 B9R1.6 CC(=O)N1CCNCC1 AC500200 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.6 ClC(=O)C1CCOCC1 AC220193 [0,2,0,0,0,0|1,0,1]=4 282 B9R1.6 ClC(=O)N1CCCCC1 AC100058 [0,2,0,0,0,0|1,0,0]=3 283 B9R1.6 NC(=O)C1CCCNC1 AC180121 [0,2,0,0,0,0|1,0,1]=4 284 B9R1.6 NC(=O)C1CCNCC1 AC511687 [0,2,0,0,0,0|1,0,1]=4 285 B9R1.6 NC(=O)C1CCOCC1 AC220035 [0,2,0,0,0,0|1,0,1]=4 286 B9R1.6 OB(O)C1=CCCCC1 AC510995 [0,2,0,0,0,0|0,0,2]=4 287 B9R1.6 OB(O)C1CCCCC1 AC510772 [0,2,0,0,0,0|0,0,2]=4 288 B9R1.6 OC(=O)C1=CCCCO1 AC170089 [0,2,0,0,0,0|1,0,1]=4 289 B9R1.6 OC(=O)C1=CCNCC1 HY-100810 [0,2,0,0,0,0|1,0,1]=4 290 B9R1.6 OC(=O)C1=COCCC1 AC170013 [0,2,0,0,0,0|1,0,1]=4 291 B9R1.6 OC(=O)C1CCCCC1 AC190179 [0,2,0,0,0,0|0,0,1]=3 292 B9R1.6 OC(=O)C1CCCCN1 AC130051 [0,2,0,0,0,0|1,0,1]=4 293 B9R1.6 OC(=O)C1CCCCN1 AC510756 [0,2,0,0,0,0|1,0,1]=4 294 B9R1.6 OC(=O)C1CCCCO1 AC170058 [0,2,0,0,0,0|1,0,1]=4 295 B9R1.6 OC(=O)C1CCCOC1 AC170092 [0,2,0,0,0,0|1,0,1]=4 296 B9R1.6 OC(=O)C1CCNCC1 AC180124 [0,2,0,0,0,0|1,0,1]=4 297 B9R1.6 OC(=O)C1CCOCC1 AC180391 [0,2,0,0,0,0|1,0,1]=4 298 B9R1.6 OC(=O)[C@H]1CCCCN1 AC180578 [0,2,0,0,0,0|1,0,1]=4 299 B9R1.8 ClCCN1CCCCC1 AC500250 [0,2,0,0,0,0|2,0,0]=4 300 B9R1.8 N#CCC1CCCCC1 AC030191 [0,2,0,0,0,0|1,0,1]=4 301 B9R1.8 N#CCN1CCCCC1 AC040083 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.10 CC1(C)CCC(=O)CC1 AC180953 [0,2,0,0,0,0|0,0,0]=2 303 B9R1.10 FC1(F)CCC(=O)CC1 AC500086 [0,2,0,0,0,0|0,0,0]=2 304 B9R1.10 NC1CCC(F)(F)CC1 AC160512 [0,2,0,0,0,0|1,0,1]=4 305 B9R1.10 NC1CCS(=O)(=O)CC1 AC182634 [0,2,0,0,0,0|1,0,0]=3 306 B9R1.10 OC1CCC(F)(F)CC1 AC182559 [0,2,0,0,0,0|0,0,2]=4 307 B9R1.10 OC1CCS(=O)(=O)CC1 AC511902 [0,2,0,0,0,0|1,0,0]=3 308 B9R1.69 CC1CN(C)CCC1=O AC021166 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.66 CC1(C)CC(=O)CCO1 AC050266 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.40 C1CNCC(C1=O)(F)F LN00215144 [0,2,0,0,0,0|1,0,0]=3 311 B9R1.40 CC1(C)CCCCC1=O AC120013 [0,2,0,0,0,0|0,0,0]=2 312 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [0,0,1,1,0,0|2,0,0]=4 313 B7R1.22 NNC(=O)C1CC1 AC010237 [0,0,1,1,0,0|2,0,0]=4 314 B7R1.12 C1C(C1F)C(=O)O LN00218531 [0,0,1,1,0,0|2,0,0]=4 315 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [0,0,1,1,0,0|2,0,0]=4 316 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [0,0,1,1,0,0|2,0,0]=4 317 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [0,0,1,1,0,0|2,0,0]=4 318 B7R1.18 NC(=O)C1CCC1 AC180388 [0,0,1,1,0,0|1,0,0]=3 319 B7R1.18 NC(=O)C1CNC1 AC070069 [0,0,1,1,0,0|2,0,0]=4 320 B7R1.18 OC(=O)C1CCC1 AC131374 [0,0,1,1,0,0|1,0,0]=3 321 B7R1.18 OC(=O)C1CCN1 AC180596 [0,0,1,1,0,0|2,0,0]=4 322 B7R1.18 OC(=O)C1COC1 AC511276 [0,0,1,1,0,0|2,0,0]=4 323 B7R2.13 C1C2CNCC12 AC511975 [1,0,0,1,0,0|1,0,0]=3 324 B9R2.68 C1CC2CNCC1O2 AC020348 [0,0,0,1,0,1|0,0,2]=4 325 B9R2.68 C1CC2COCC1N2 AC182775 [0,0,0,1,0,1|1,0,1]=4 326 B9R2.68 C1CC2COCC1N2 LN00007433 [0,0,0,1,0,1|1,0,1]=4 327 B9R2.25 O=C1OC(=O)C2CC12 AC180715 [0,1,0,1,0,0|1,0,1]=4 328 B5R1.1 C1CC=CO1 AC220197 [1,0,0,0,1,0|1,0,1]=4 329 B5R1.1 C1CSCN1 AC021375 [1,0,0,0,1,0|2,0,0]=4 330 B5R1.2 O=C1CCC1 AC130256 [0,0,0,0,2,0|0,0,0]=2 331 B5R1.2 O=C1COC1 AC130304 [0,0,0,0,2,0|1,0,0]=3 332 B5R1.2 O=C1CSC1 AC010018 [0,0,0,0,2,0|1,0,0]=3 333 B9R1.50 O=C1CCCCCCC1 AC510797 [0,0,0,0,0,2|0,0,0]=2