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AIFCHEM-94522656682 [1,1,0,0,0,0|2,0,0]=4 78 B10R0.75 CCCCCNC(=O)[C@H](C)O AIFCHEM-94552832270 [1,1,0,0,0,0|2,0,0]=4 79 B10R0.81 COCCN(C)C(=O)C(C)C AIFCHEM-94545048462 [1,1,0,0,0,0|2,0,0]=4 80 B10R0.83 CCCCNC(=O)C(O)CO AIFCHEM-5752192535 [1,1,0,0,0,0|2,0,0]=4 81 B10R0.55 CCC(C)CNCCC(C)C AIFCHEM-6121185674 [1,1,0,0,0,0|1,0,1]=4 82 B10R0.96 CC(C)CCC(=O)NC(C)C AIFCHEM-94520550426 [1,1,0,0,0,0|2,0,0]=4 83 B10R0.13 CC(C)CN(C)C(=O)C(C)O AIFCHEM-94540233708 [0,1,0,0,1,0|2,0,0]=4 84 B10R0.13 CC(C)CN(C)C(=O)[C@@H](C)O AIFCHEM-5711101449 [0,1,0,0,1,0|2,0,0]=4 85 B10R0.13 CC(C)CN(C)C(=O)[C@H](C)O AIFCHEM-5736843011 [0,1,0,0,1,0|2,0,0]=4 86 B10R0.92 CC(C)C(=O)NCC(C)(F)F AIFCHEM-94545053249 [0,1,0,0,1,0|2,0,0]=4 87 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C AIFCHEM-6276709526 [0,1,0,0,0,1|2,0,0]=4 88 B12R0.140 CC(C)CCNC(=O)CC(C)(C)O AIFCHEM-6098965151 [0,1,0,0,0,1|1,0,0]=3 89 B12R0.240 CCC(C)CC(=O)NCCC(C)C AIFCHEM-6095155045 [0,1,0,0,0,1|1,0,0]=3 90 B12R0.240 CCC(C)CC(=O)NCCN(C)C AIFCHEM-5916344185 [0,1,0,0,0,1|2,0,0]=4 91 B12R0.240 CC[C@H](C)CC(=O)NCCC(C)C AIFCHEM-6094426810 [0,1,0,0,0,1|1,0,0]=3 92 B12R0.240 CC[C@H](C)CC(=O)NCCN(C)C AIFCHEM-5962195030 [0,1,0,0,0,1|2,0,0]=4 93 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C AIFCHEM-6097886717 [0,1,0,0,0,1|1,0,0]=3 94 B12R0.86 CC(C)OCCNC(=O)C(O)CO AIFCHEM-6282588829 [0,1,0,0,0,1|2,0,0]=4 95 B12R0.86 CCC(C)C(=O)NCCCC(C)C AIFCHEM-5746595577 [0,1,0,0,0,1|1,0,0]=3 96 B12R0.86 CC[C@@H](C)C(=O)NCCCC(C)C AIFCHEM-5738802165 [0,1,0,0,0,1|1,0,0]=3 97 B12R0.86 CC[C@H](C)C(=O)NCCCC(C)C AIFCHEM-5728556284 [0,1,0,0,0,1|1,0,0]=3 98 B12R0.86 COC(C)C(=O)NCCOC(C)C AIFCHEM-6254639142 [0,1,0,0,0,1|1,0,0]=3 99 B12R0.86 CO[C@@H](C)C(=O)NCCOC(C)C AIFCHEM-6271261283 [0,1,0,0,0,1|1,0,0]=3 100 B12R0.86 CO[C@H](C)C(=O)NCCOC(C)C AIFCHEM-6254328365 [0,1,0,0,0,1|1,0,0]=3 101 B12R0.264 CC(C)C(=O)NCCSC(C)(C)C AIFCHEM-94545050384 [0,1,0,0,0,1|1,0,0]=3 102 B12R0.264 CC(O)C(=O)NCCSC(C)(C)C AIFCHEM-94540233481 [0,1,0,0,0,1|2,0,0]=4 103 B12R0.264 C[C@@H](O)C(=O)NCCSC(C)(C)C AIFCHEM-6083420645 [0,1,0,0,0,1|2,0,0]=4 104 B12R0.259 CN(C)CCN(C)C(=O)C(C)(C)C AIFCHEM-94528269785 [0,2,0,0,0,0|2,0,0]=4 105 B12R0.349 CC(C)CCNC(=O)C(C)(C)CF AIFCHEM-6121656791 [0,2,0,0,0,0|1,0,0]=3 106 B12R0.349 COC(C)(C)C(=O)NCCC(C)C AIFCHEM-6136039770 [0,2,0,0,0,0|1,0,0]=3 107 B12R0.54 C#CCN(C)C(=O)CCCC(C)C AIFCHEM-5645455316 [0,2,0,0,0,0|2,0,0]=4 108 B12R0.88 CCC(C)C(=O)N(C)CCC(C)C AIFCHEM-6096845350 [0,2,0,0,0,0|1,0,0]=3 109 B12R0.88 CC[C@@H](C)C(=O)N(C)CCC(C)C AIFCHEM-6097619701 [0,2,0,0,0,0|1,0,0]=3 110 B12R0.88 CC[C@H](C)C(=O)N(C)CCC(C)C AIFCHEM-6167779532 [0,2,0,0,0,0|1,0,0]=3 111 B12R0.90 CC(C#N)C(=O)NCCC(C)(C)C AIFCHEM-6284010393 [0,2,0,0,0,0|1,0,1]=4 112 B12R0.677 CCC(CC)C(=O)NCCC(C)C AIFCHEM-6132315163 [0,2,0,0,0,0|1,0,0]=3 113 B12R0.677 COC(OC)C(=O)NCCN(C)C AIFCHEM-94537686523 [0,2,0,0,0,0|2,0,0]=4 114 B12R0.541 CCN(CCC(C)C)C(=O)C(C)C AIFCHEM-99366457446 [0,2,0,0,0,0|1,0,0]=3 115 B10R1.14 CC1CCN(C1)C(=O)CO AIFCHEM-94532675819 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.14 CCC(=O)N1CCC(C1)F AIFCHEM-94526503398 [1,0,0,1,0,0|2,0,0]=4 117 B10R1.14 CCC(=O)N1CC[C@@H](C1)F AIFCHEM-94526501929 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.14 CCC(=O)N1CC[C@H](C1)F AIFCHEM-94526501930 [1,0,0,1,0,0|2,0,0]=4 119 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO AIFCHEM-94532680452 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.14 C[C@H]1CCN(C1)C(=O)CO AIFCHEM-5610242291 [1,0,0,1,0,0|2,0,0]=4 121 B10R1.150 CC1CC(C1)NC(=O)CO AIFCHEM-94532686731 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.150 CCC(=O)NC1CC(C1)C AIFCHEM-94526511526 [1,0,0,1,0,0|1,0,0]=3 123 B10R1.150 CCC(=O)NC1CC(C1)F AIFCHEM-94526501421 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)F AIFCHEM-94526502226 [1,0,0,1,0,0|2,0,0]=4 125 B10R1.150 CCC(=O)N[C@H]1C[C@H](C1)F AIFCHEM-94526502225 [1,0,0,1,0,0|2,0,0]=4 126 B10R1.23 CC(C)C(=O)N1CCSC1 AIFCHEM-94586221365 [1,0,0,1,0,0|2,0,0]=4 127 B10R1.190 CC(O)C(=O)N[C@@H]1C[C@H]1C AIFCHEM-94559019225 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.190 C[C@@H]1C[C@H]1NC(=O)[C@@H](C)O AIFCHEM-94559012198 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.190 C[C@H](O)C(=O)N[C@@H]1C[C@H]1C AIFCHEM-94559020222 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.204 CC(C)C(=O)NC1CSC1 AIFCHEM-94545042977 [1,0,0,1,0,0|2,0,0]=4 131 B10R1.81 CC1CN(C1)C(=O)C(C)C AIFCHEM-94545055002 [0,0,0,1,1,0|1,0,0]=3 132 B12R1.103 CC(C)CC(=O)N1CCC(C1)C AIFCHEM-5614208004 [0,0,0,1,0,1|1,0,0]=3 133 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)C AIFCHEM-5610650673 [0,0,0,1,0,1|1,0,0]=3 134 B12R1.1061 CC1CC(C1)NC(=O)CN(C)C AIFCHEM-94594502664 [0,0,0,1,0,1|2,0,0]=4 135 B12R1.1359 CC(C)CCNC(=O)CC1CC1 AIFCHEM-6135193245 [0,0,0,1,0,1|1,0,0]=3 136 B12R1.1359 CC(C)CNCC(=O)NC1CC1 AIFCHEM-94572983595 [0,0,0,1,0,1|2,0,0]=4 137 B12R1.1377 CC(C)NC(=O)CNCC1CC1 AIFCHEM-94530808903 [0,0,0,1,0,1|2,0,0]=4 138 B12R1.104 CC(C)C(=O)NC1CCN(C1)C AIFCHEM-94569216997 [0,0,0,1,0,1|2,0,0]=4 139 B12R1.104 CC(C)C(=O)N[C@@H]1CCN(C1)C AIFCHEM-94538660742 [0,0,0,1,0,1|2,0,0]=4 140 B12R1.104 CC(C)C(=O)N[C@H]1CCN(C1)C AIFCHEM-94545053474 [0,0,0,1,0,1|2,0,0]=4 141 B12R1.225 CC(C)C(=O)N1CCCC(C1)F AIFCHEM-94545052180 [0,0,0,1,0,1|2,0,0]=4 142 B12R1.225 CC(C)C(=O)N1CCC[C@@H](C1)C AIFCHEM-94598408705 [0,0,0,1,0,1|1,0,0]=3 143 B12R1.225 CC(C)C(=O)N1CCC[C@H](C1)C AIFCHEM-94545046611 [0,0,0,1,0,1|1,0,0]=3 144 B12R1.225 CC1CCCN(C1)C(=O)C(C)C AIFCHEM-94534160624 [0,0,0,1,0,1|1,0,0]=3 145 B12R1.518 CC(O)C(=O)N1CCSC1(C)C AIFCHEM-94571303378 [0,0,0,1,0,1|2,0,0]=4 146 B12R1.2213 CC(C)C(=O)NC1CC(C1)(C)C AIFCHEM-94545042960 [0,1,0,1,0,0|1,0,0]=3 147 B12R1.216 C[C@@H]1C[C@H]1CNC(=O)C(C)(C)C AIFCHEM-94599428090 [0,1,0,1,0,0|1,0,0]=3 148 B12R1.837 CC(C)(C)C(=O)N1CC[C@@H](C1)F AIFCHEM-5625363570 [0,1,0,1,0,0|2,0,0]=4 149 B12R1.837 CC(C)(C)C(=O)N1CC[C@H](C1)F AIFCHEM-5678951797 [0,1,0,1,0,0|2,0,0]=4 150 B12R1.20 CC(C)C(=O)N1CCN(CC1)C AIFCHEM-94608866753 [0,1,0,1,0,0|2,0,0]=4 151 B12R1.20 CC1CCN(CC1)C(=O)C(C)C AIFCHEM-94595740858 [0,1,0,1,0,0|1,0,0]=3 152 B12R1.20 CC1CCN(CC1)C(=O)C(C)O AIFCHEM-94540233728 [0,1,0,1,0,0|2,0,0]=4 153 B12R1.20 CC1CCN(CC1)C(=O)[C@@H](C)O AIFCHEM-94595732835 [0,1,0,1,0,0|2,0,0]=4 154 B12R1.20 CC1CCN(CC1)C(=O)[C@H](C)O AIFCHEM-94595740859 [0,1,0,1,0,0|2,0,0]=4 155 B12R1.469 CC[C@@H](C)C(=O)NC1CC(C1)C AIFCHEM-6163326307 [0,1,0,1,0,0|1,0,0]=3 156 B12R1.469 CC[C@H](C)C(=O)NC1CC(C1)C AIFCHEM-6142477918 [0,1,0,1,0,0|1,0,0]=3 157 B12R1.469 COC(C)C(=O)NC1CC(C1)C AIFCHEM-6154126241 [0,1,0,1,0,0|1,0,0]=3 158 B12R1.469 CO[C@@H](C)C(=O)NC1CC(C1)C AIFCHEM-6090817564 [0,1,0,1,0,0|1,0,0]=3 159 B12R1.469 CO[C@H](C)C(=O)NC1CC(C1)C AIFCHEM-6154024511 [0,1,0,1,0,0|1,0,0]=3 160 B12R1.471 COC(C)C(=O)NCCC1CC1 AIFCHEM-5772616372 [0,1,0,1,0,0|1,0,0]=3 161 B12R1.471 CO[C@@H](C)C(=O)NCCC1CC1 AIFCHEM-5764229986 [0,1,0,1,0,0|1,0,0]=3 162 B12R1.471 CO[C@H](C)C(=O)NCCC1CC1 AIFCHEM-5784299801 [0,1,0,1,0,0|1,0,0]=3 163 B12R1.839 COC(C)C(=O)NC[C@@H]1C[C@H]1C AIFCHEM-94599426014 [0,1,0,1,0,0|1,0,0]=3 164 B12R1.839 CO[C@H](C)C(=O)NC[C@@H]1C[C@H]1C AIFCHEM-94599424368 [0,1,0,1,0,0|1,0,0]=3 165 B12R1.839 C[C@@H]1C[C@H]1CNC(=O)C(O)CO AIFCHEM-94599426208 [0,1,0,1,0,0|2,0,0]=4 166 B12R1.1357 CC(C)CCNC(=O)[C@@H]1CCO1 AIFCHEM-6121630100 [0,1,0,1,0,0|1,0,0]=3 167 B12R1.1357 CN(C)CCNC(=O)C1CCC1 AIFCHEM-94572513426 [0,1,0,1,0,0|2,0,0]=4 168 B12R1.1357 CN(C)CCNC(=O)C1COC1 AIFCHEM-94536798445 [0,1,0,1,0,0|2,0,0]=4 169 B12R1.2203 CC(C)C(=O)N1CCC(C1)(F)F AIFCHEM-94520937002 [0,1,0,1,0,0|2,0,0]=4 170 B12R1.3183 CC(C)(C)CCNC(=O)C1CC1 AIFCHEM-6202785283 [0,1,0,1,0,0|1,0,0]=3 171 B12R2.4309 CC(O)C(=O)N1CC2CC2C1 AIFCHEM-94584692303 [0,0,0,2,0,0|2,0,0]=4 172 B12R2.4309 C[C@@H](O)C(=O)N1CC2CC2C1 AIFCHEM-94584686033 [0,0,0,2,0,0|2,0,0]=4 173 B12R2.4309 C[C@H](O)C(=O)N1CC2CC2C1 AIFCHEM-94584694057 [0,0,0,2,0,0|2,0,0]=4 174 B12R2.665 O=C(NC1CC(C1)F)C2CC2 AIFCHEM-6108135008 [0,0,0,2,0,0|2,0,0]=4 175 B12R2.665 O=C(N[C@H]1C[C@@H](C1)F)C2CC2 AIFCHEM-5890114269 [0,0,0,2,0,0|2,0,0]=4 176 B12R2.665 O=C(N[C@H]1C[C@H](C1)F)C2CC2 AIFCHEM-5948712963 [0,0,0,2,0,0|2,0,0]=4 177 B8R0.9 CC(C)CNC(=O)CO AIFCHEM-94532683064 [1,0,0,0,1,0|2,0,0]=4 178 B10R0.6 CCCNCC(=O)NC(C)C AIFCHEM-94530808171 [1,0,0,0,0,1|2,0,0]=4 179 B10R0.6 CSCCNC(=O)CC(C)C AIFCHEM-94598931476 [1,0,0,0,0,1|2,0,0]=4 180 B10R0.97 CC(C)CCCNCC(C)C AIFCHEM-94572971938 [1,0,0,0,0,1|1,0,1]=4 181 B12R0.44 CC(C)CNC(=O)COCC(C)C AIFCHEM-6123119495 [0,0,0,0,0,2|2,0,0]=4 182 B12R0.44 CC(C)SCC(=O)NCCN(C)C AIFCHEM-5949585678 [0,0,0,0,0,2|2,0,0]=4 183 B12R0.270 CC(C)CCCCC(=O)NC(C)C AIFCHEM-94520552204 [0,0,0,0,0,2|1,0,0]=3 184 B12R0.270 CC(C)NC(=O)CCCCN(C)C AIFCHEM-94541844909 [0,0,0,0,0,2|2,0,0]=4