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CCN(CCSC)C(=O)[C@H](C)O AIFCHEM-97749943761 [0,1,1,0,0,0|1,0,1]=4 70 B11R1.110 CCCN1CCOC[C@@H](C1)O AIFCHEM-94569008579 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.110 CCCN1CCOC[C@H](C1)O AIFCHEM-94569011999 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.135 CCCN1CCNC(=O)CC1 AIFCHEM-94569015196 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.203 CCNCC1CCCCCC1 AIFCHEM-94532085883 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.20 CC(C)CN1CCS(=O)CC1 AIFCHEM-94572984528 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.86 CC(C)CN1CCOCC1C AIFCHEM-94530733258 [0,1,0,0,1,0|2,0,0]=4 76 B11R1.86 CC(C)CN1CCOC[C@@H]1C AIFCHEM-94572979919 [0,1,0,0,1,0|2,0,0]=4 77 B11R1.86 CC(C)CN1CCOC[C@H]1C AIFCHEM-94572986901 [0,1,0,0,1,0|2,0,0]=4 78 B11R1.157 CC(C)CN1CCOC(C1)C AIFCHEM-94572978921 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.157 CC(C)CN1CCO[C@@H](C1)C AIFCHEM-94572975927 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.157 CC(C)CN1CCO[C@H](C1)C AIFCHEM-94572971762 [0,1,0,0,1,0|2,0,0]=4 81 B13R1.1711 COC(C)CNC1CCCCCC1 AIFCHEM-94529615993 [0,1,0,0,0,1|1,0,0]=3 82 B13R1.1711 CO[C@@H](C)CNC1CCCCCC1 AIFCHEM-94529618253 [0,1,0,0,0,1|1,0,0]=3 83 B13R1.1711 CO[C@H](C)CNC1CCCCCC1 AIFCHEM-94608839728 [0,1,0,0,0,1|1,0,0]=3 84 B13R1.1711 CSC(C)CCN1CCCOCC1 AIFCHEM-5789736043 [0,1,0,0,0,1|1,1,0]=4 85 B13R1.6268 CC(F)(F)CNC1CCCCCC1 AIFCHEM-94529617553 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.1870 CCC(C)CN1CCCCCCC1 AIFCHEM-6068927462 [0,1,0,0,0,1|1,0,0]=3 87 B13R1.6161 CC(O)C(C)N1CCCCCCC1 AIFCHEM-94547062510 [0,1,0,0,0,1|0,0,0]=2 88 B13R1.3500 CC(O)C(C)N1CCOC[C@@H](C1)O AIFCHEM-94547061747 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.1869 OCC(O)CN1CCCC(CC1)F AIFCHEM-5860557013 [0,2,0,0,0,0|0,0,0]=2 90 B13R1.1869 OC[C@@H](O)CN1CCCC(CC1)F AIFCHEM-94590557851 [0,2,0,0,0,0|0,0,0]=2 91 B13R1.2174 CCN1CCCN(CC1)CC(C)C AIFCHEM-94519464508 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.3795 CC(O)C(=O)N1CCCC(=O)CC1 AIFCHEM-94540232503 [0,2,0,0,0,0|0,0,2]=4 93 B13R1.3795 CC(O)C(C)N1CCCN(CC1)C AIFCHEM-94547071876 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.8833 CC(C)CN1CCCC(CC1)(F)F AIFCHEM-94572971947 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.2620 CC(CO)N(C)C1CCCCCC1 AIFCHEM-94525024085 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.2620 C[C@@H](CO)N(C)C1CCCCCC1 AIFCHEM-94529612724 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.2620 C[C@H](CO)N(C)C1CCCCCC1 AIFCHEM-94529607247 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.46 OCCCCCNC1CC1F AIFCHEM-5864792939 [0,0,1,1,0,0|2,0,0]=4 99 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F AIFCHEM-6086179283 [0,0,1,1,0,0|2,0,0]=4 100 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F AIFCHEM-5815485421 [0,0,1,1,0,0|2,0,0]=4 101 B11R1.46 OCCCCCN[C@H]1C[C@@H]1F AIFCHEM-6046583831 [0,0,1,1,0,0|2,0,0]=4 102 B11R1.78 CC1CN(C1)CCCCCO AIFCHEM-5908738354 [0,0,1,1,0,0|2,0,0]=4 103 B11R1.78 CCCCNC[C@H]1C[C@H](C1)O AIFCHEM-94523031469 [0,0,1,1,0,0|2,0,0]=4 104 B11R1.78 OCCCCCN1CC(C1)O AIFCHEM-94597188735 [0,0,1,1,0,0|1,0,0]=3 105 B11R1.90 CC(C)CNC1CCCC1C AIFCHEM-94563719093 [0,0,1,1,0,0|1,0,0]=3 106 B11R1.90 CC(C)CNC1CCCC1O AIFCHEM-94581025952 [0,0,1,1,0,0|2,0,0]=4 107 B11R1.90 CC(C)CN[C@@H]1CCC[C@@H]1O AIFCHEM-94572978087 [0,0,1,1,0,0|2,0,0]=4 108 B11R1.90 CC(C)CN[C@@H]1CCC[C@H]1O AIFCHEM-94572982630 [0,0,1,1,0,0|2,0,0]=4 109 B11R1.90 CC(C)CN[C@H]1CCC[C@@H]1O AIFCHEM-94572983722 [0,0,1,1,0,0|2,0,0]=4 110 B11R1.90 CC(C)CN[C@H]1CCC[C@H]1O AIFCHEM-94572974241 [0,0,1,1,0,0|2,0,0]=4 111 B11R1.90 CC1CCCC1NCC(F)F AIFCHEM-6063080102 [0,0,1,1,0,0|2,0,0]=4 112 B11R1.91 CC(C)CNC1CCCCC1 AIFCHEM-94572981427 [0,0,1,1,0,0|1,0,0]=3 113 B11R1.91 CC(C)CNC1CCOCC1 AIFCHEM-94572970597 [0,0,1,1,0,0|2,0,0]=4 114 B11R1.91 CC(O)CNC1CCCSC1 AIFCHEM-94558282297 [0,0,1,1,0,0|1,0,0]=3 115 B11R1.91 C[C@@H](O)CNC1CCCSC1 AIFCHEM-6491145231 [0,0,1,1,0,0|1,0,0]=3 116 B11R1.91 C[C@H](O)CNC1CCCSC1 AIFCHEM-6493732098 [0,0,1,1,0,0|1,0,0]=3 117 B11R1.99 CCCCCCNCC1CC1 AIFCHEM-94571762776 [0,0,1,1,0,0|1,0,0]=3 118 B11R1.99 OCCCCCNCC1CC1 AIFCHEM-5911111569 [0,0,1,1,0,0|2,0,0]=4 119 B11R1.172 CC(C)CNCC1CCCC1 AIFCHEM-94572982575 [0,0,1,1,0,0|1,0,0]=3 120 B11R1.172 CC(C)CNCC1CCOC1 AIFCHEM-6179313606 [0,0,1,1,0,0|2,0,0]=4 121 B11R1.172 CC(C)CNC[C@@H]1CCOC1 AIFCHEM-94572974516 [0,0,1,1,0,0|2,0,0]=4 122 B11R1.172 CC(C)CNC[C@H]1CCOC1 AIFCHEM-94572971103 [0,0,1,1,0,0|2,0,0]=4 123 B11R1.172 CC(O)CNCC1CCCC1 AIFCHEM-6483474891 [0,0,1,1,0,0|0,0,0]=2 124 B11R1.172 C[C@@H](O)CNCC1CCCC1 AIFCHEM-6493272986 [0,0,1,1,0,0|0,0,0]=2 125 B11R1.172 C[C@H](O)CNCC1CCCC1 AIFCHEM-6492572424 [0,0,1,1,0,0|0,0,0]=2 126 B11R1.172 FC(F)CNCC1CCCC1 AIFCHEM-6067743871 [0,0,1,1,0,0|2,0,0]=4 127 B11R1.38 CCN1CCN(CC1(C)C)C AIFCHEM-94537411308 [0,0,1,1,0,0|2,0,0]=4 128 B11R1.43 COC1CCN(C1)CC(C)C AIFCHEM-94572974200 [0,0,1,1,0,0|2,0,0]=4 129 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C AIFCHEM-94572972453 [0,0,1,1,0,0|2,0,0]=4 130 B11R1.43 CO[C@H]1CCN(C1)CC(C)C AIFCHEM-94572983745 [0,0,1,1,0,0|2,0,0]=4 131 B11R1.301 CCCCCN(C)CC1CC1 AIFCHEM-94594889782 [0,0,1,1,0,0|1,0,0]=3 132 B11R1.758 CCCCCN1CC(C1)(F)F AIFCHEM-94551431293 [0,0,1,1,0,0|2,0,0]=4 133 B11R1.758 CCCNC[C@H]1C[C@@](C1)(C)O AIFCHEM-94569012574 [0,0,1,1,0,0|2,0,0]=4 134 B11R1.758 CSCCCN1CC(C1)(C)F AIFCHEM-94546176628 [0,0,1,1,0,0|2,0,0]=4 135 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B13R2.689 CC(C)CN1C2CCCC1CC2 AIFCHEM-94572983658 [0,0,0,1,0,1|2,0,0]=4 149 B13R2.3443 C[C@@H]1C[C@H]1NC2CCCCCC2 AIFCHEM-94529619026 [0,0,0,1,0,1|2,0,0]=4 150 B13R2.13856 CC(C)CNC1CCCC2C1C2 AIFCHEM-94563723330 [0,0,0,1,0,1|2,0,0]=4 151 B13R2.543 CC(C)CN1CC2COCC2C1 AIFCHEM-94572982818 [0,0,0,1,0,1|1,0,0]=3 152 B13R2.543 CC(C)CN1C[C@@H]2COC[C@H]2C1 AIFCHEM-94572977546 [0,0,0,1,0,1|1,0,0]=3 153 B13R2.543 CC(C)CN1C[C@H]2COC[C@H]2C1 AIFCHEM-94572982440 [0,0,0,1,0,1|1,0,0]=3 154 B13R2.11178 OC1CCCN(CC1)CC2CC2 AIFCHEM-6505920678 [0,1,0,1,0,0|1,0,0]=3 155 B13R2.18322 CC(O)C(=O)N1CCOC2C1C2 AIFCHEM-94540226482 [0,1,0,1,0,0|1,0,1]=4 156 B9R0.47 CCCCNC(C)C(C)O AIFCHEM-94547071284 [0,0,1,0,1,0|2,0,0]=4 157 B9R0.47 CSCCCN(C)C(C)C AIFCHEM-94547938546 [0,0,1,0,1,0|2,0,0]=4 158 B9R0.13 CCN(CCCO)C(C)C AIFCHEM-94537420421 [0,0,1,0,1,0|2,0,0]=4 159 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,0,1,0|2,0,0]=4 160 B11R0.280 CCCC(CCC)NCC(C)C AIFCHEM-94572975914 [0,0,1,0,0,1|2,0,0]=4 161 B11R1.117 CCCN1CCCCCCC1 AIFCHEM-94569009342 [1,0,0,0,0,1|0,0,0]=2 162 B13R1.1022 CC(O)CNC1CCCCCCC1 AIFCHEM-94558284262 [0,0,0,0,0,2|1,0,0]=3 163 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 AIFCHEM-6509496072 [0,0,0,0,0,2|1,0,0]=3 164 B13R1.1022 C[C@H](O)CNC1CCCCCCC1 AIFCHEM-6493361022 [0,0,0,0,0,2|1,0,0]=3 165 B13R1.1988 CC(C)CCNC1CCCCCC1 AIFCHEM-94529614001 [0,0,0,0,0,2|2,0,0]=4 166 B13R1.1988 CC(O)CCNC1CCCCCC1 AIFCHEM-94529612539 [0,0,0,0,0,2|1,0,0]=3 167 B13R1.1988 C[C@H](O)CCNC1CCCCCC1 AIFCHEM-94529605247 [0,0,0,0,0,2|1,0,0]=3 168 B13R1.1107 CC(C)CN1CCCCCCCC1 AIFCHEM-94559693821 [0,0,0,0,0,2|1,0,0]=3 169 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [2,0,1,0,0,0|1,0,0]=4 170 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [2,0,1,0,0,0|0,0,0]=3 171 B8R0.1 CCCN(C)CCSC AIFCHEM-94607179096 [2,0,1,0,0,0|1,0,0]=4 172 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [2,0,1,0,0,0|0,0,0]=3 173 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [2,0,1,0,0,0|1,0,0]=4 174 B8R0.16 CCN(CC)C[C@H](C)O AIFCHEM-94537424757 [2,0,1,0,0,0|0,0,0]=3 175 B8R0.22 CCN(CCO)CCO AIFCHEM-94537415530 [2,0,1,0,0,0|1,0,0]=4 176 B10R0.22 CCCCCNCC(C)(C)C AIFCHEM-94551434681 [1,1,1,0,0,0|1,0,0]=4 177 B10R0.74 CCCCCNCC(C)CC AIFCHEM-94522656373 [1,1,1,0,0,0|1,0,0]=4 178 B10R0.74 CCCCCNCC(F)CC AIFCHEM-94551426530 [1,1,1,0,0,0|1,0,0]=4 179 B10R0.74 CCCCCNC[C@@H](F)CO AIFCHEM-94551432028 [1,1,1,0,0,0|1,0,0]=4 180 B10R0.74 CCCCCNC[C@H](F)CO AIFCHEM-94551432029 [1,1,1,0,0,0|1,0,0]=4 181 B10R0.74 CCCCNCCC(C)CO AIFCHEM-94523038052 [1,1,1,0,0,0|1,0,0]=4 182 B10R0.74 CSCCCNCC(O)CO AIFCHEM-94546184798 [1,1,1,0,0,0|1,0,0]=4 183 B10R0.74 CSCCCNC[C@@H](O)CO AIFCHEM-94546185392 [1,1,1,0,0,0|1,0,0]=4 184 B10R0.74 CSCCCNC[C@H](O)CO AIFCHEM-94590564333 [1,1,1,0,0,0|1,0,0]=4 185 B10R0.75 CC(O)C(C)NCCCCO AIFCHEM-94547064786 [1,1,1,0,0,0|1,0,0]=4 186 B10R0.75 CCCCCNC(=O)C(C)O AIFCHEM-94571298865 [1,1,1,0,0,0|0,0,1]=4 187 B10R0.75 CCCCCNC(=O)[C@@H](C)O AIFCHEM-94522656682 [1,1,1,0,0,0|0,0,1]=4 188 B10R0.75 CCCCCNC(=O)[C@H](C)O AIFCHEM-94552832270 [1,1,1,0,0,0|0,0,1]=4 189 B10R0.75 CCOCCNC(C)C(C)O AIFCHEM-94547062387 [1,1,1,0,0,0|1,0,0]=4 190 B10R0.75 COCCCNC(C)C(C)O AIFCHEM-94547072782 [1,1,1,0,0,0|1,0,0]=4 191 B10R0.78 CCCCC(C)NCC(C)O AIFCHEM-94541404351 [1,1,1,0,0,0|0,0,0]=3 192 B10R0.78 CCCCC(C)NC[C@@H](C)O AIFCHEM-94541398614 [1,1,1,0,0,0|0,0,0]=3 193 B10R0.78 CCCCC(C)NC[C@H](C)O AIFCHEM-94541398615 [1,1,1,0,0,0|0,0,0]=3 194 B10R0.97 CC(C)CCCNCC(C)C AIFCHEM-94572971938 [1,1,1,0,0,0|1,0,0]=4 195 B10R0.71 CCCCNCCOCCO AIFCHEM-5751576795 [1,1,1,0,0,0|1,0,0]=4 196 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [1,1,1,0,0,0|1,0,0]=4 197 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [1,1,1,0,0,0|1,0,0]=4 198 B10R0.18 CCCCN(C)CC(C)CC AIFCHEM-94523030673 [1,1,1,0,0,0|1,0,0]=4 199 B10R0.28 CCCCN(C)CC(C)(C)O AIFCHEM-94523040639 [1,1,1,0,0,0|0,0,0]=3 200 B10R0.19 CSCCC(C)N(C)CCO AIFCHEM-6475086659 [1,1,1,0,0,0|1,0,0]=4 201 B10R0.24 CCN(CCO)CCCSC AIFCHEM-94546173360 [1,1,1,0,0,0|1,0,0]=4 202 B10R0.83 CCC(C)N(C)CCCSC AIFCHEM-94546187750 [1,1,1,0,0,0|1,0,0]=4 203 B10R0.83 CCCCCN(C)C(=O)CC AIFCHEM-94526505529 [1,1,1,0,0,0|0,0,1]=4 204 B10R0.73 CCCN(CCC)C(=O)CC AIFCHEM-94536247609 [1,1,1,0,0,0|0,0,1]=4 205 B10R0.90 CCCN[C@@H](CCC)CCO AIFCHEM-94569021523 [1,1,1,0,0,0|1,0,0]=4 206 B10R0.16 CCCCN(CC)CCCC AIFCHEM-94537412202 [1,1,1,0,0,0|0,0,0]=3 207 B10R0.88 CCCN(CCCO)C(C)C AIFCHEM-94569017504 [1,1,1,0,0,0|1,0,0]=4 208 B10R1.197 CCN1CCCC(CC1)F AIFCHEM-94537414919 [2,1,0,0,0,0|0,0,0]=3 209 B10R1.1 CCCN1CCC(CC1)C AIFCHEM-94569020796 [1,1,0,0,1,0|0,0,0]=3 210 B10R1.1 CCCN1CCC(CC1)F AIFCHEM-94569020151 [1,1,0,0,1,0|0,0,0]=3 211 B10R1.1 CCCN1CCC(CC1)O AIFCHEM-94546652685 [1,1,0,0,1,0|0,0,0]=3 212 B10R1.4 CCCN1CCOCC1C AIFCHEM-94569018601 [1,1,0,0,1,0|1,0,0]=4 213 B10R1.4 CCCN1CCOC[C@@H]1C AIFCHEM-94569017665 [1,1,0,0,1,0|1,0,0]=4 214 B10R1.4 CCCN1CCOC[C@H]1C AIFCHEM-94569022117 [1,1,0,0,1,0|1,0,0]=4 215 B10R1.10 CCCN1CCCC(C1)F AIFCHEM-94569022032 [1,1,0,0,1,0|0,0,0]=3 216 B10R1.10 CCCN1CCCC(C1)O AIFCHEM-94569021033 [1,1,0,0,1,0|0,0,0]=3 217 B10R1.10 CCCN1CCC[C@H](C1)O AIFCHEM-94531241660 [1,1,0,0,1,0|0,0,0]=3 218 B10R1.10 CCCN1CCOC(C1)O AIFCHEM-94569022595 [1,1,0,0,1,0|1,0,0]=4 219 B10R1.15 CC(CO)N1CCCOC1 AIFCHEM-5756195091 [1,1,0,0,1,0|1,0,0]=4 220 B12R0.159 CCCN(CCC)C(=O)CC(C)C AIFCHEM-5842334710 [0,1,1,0,0,1|1,0,0]=4 221 B12R0.160 CCCN(CCC)CCC(C)SC AIFCHEM-94536234523 [0,1,1,0,0,1|0,1,0]=4 222 B12R0.166 CCCC(CCC)NC(C)C(C)O AIFCHEM-94547066828 [0,1,1,0,0,1|1,0,0]=4 223 B12R0.124 CCCCCC(CC)NCC(C)O AIFCHEM-94563183281 [0,1,1,0,0,1|1,0,0]=4 224 B12R0.124 CCCCCC(CC)NC[C@@H](C)O AIFCHEM-94563177544 [0,1,1,0,0,1|1,0,0]=4 225 B12R0.124 CCCCCC(CC)NC[C@H](C)O AIFCHEM-94563177545 [0,1,1,0,0,1|1,0,0]=4 226 B12R0.215 CCCCN(CC)C(=O)CC(C)C AIFCHEM-100489065205 [0,1,1,0,0,1|1,0,0]=4 227 B12R0.215 CCCCN(CC)C(=O)CC(C)O AIFCHEM-98463730490 [0,1,1,0,0,1|0,0,0]=3 228 B12R0.215 CCCCN(CC)C(=O)C[C@@H](C)O AIFCHEM-97245699806 [0,1,1,0,0,1|0,0,0]=3 229 B12R0.215 CCCCN(CC)C(=O)C[C@H](C)O AIFCHEM-98103741144 [0,1,1,0,0,1|0,0,0]=3 230 B12R0.215 CCN(CCOC)C(=O)CC(C)O AIFCHEM-98464250875 [0,1,1,0,0,1|1,0,0]=4 231 B12R0.215 CCN(CCOC)C(=O)C[C@@H](C)O AIFCHEM-97246058751 [0,1,1,0,0,1|1,0,0]=4 232 B12R0.215 CCN(CCOC)C(=O)C[C@H](C)O AIFCHEM-98104381109 [0,1,1,0,0,1|1,0,0]=4 233 B12R0.215 CCN(CCSC)C(=O)CC(C)O AIFCHEM-98464397141 [0,1,1,0,0,1|1,0,0]=4 234 B12R0.215 CCN(CCSC)C(=O)C[C@@H](C)O AIFCHEM-97246200877 [0,1,1,0,0,1|1,0,0]=4 235 B12R0.215 CCN(CCSC)C(=O)C[C@H](C)O AIFCHEM-98104592495 [0,1,1,0,0,1|1,0,0]=4 236 B12R0.44 CC(C)CCCC(C)NCC(C)O AIFCHEM-6483637669 [0,2,1,0,0,0|0,0,0]=3 237 B12R0.44 CC(C)CCCC(C)NC[C@@H](C)O AIFCHEM-6491845896 [0,2,1,0,0,0|0,0,0]=3 238 B12R0.44 CC(C)CCCC(C)NC[C@H](C)O AIFCHEM-6509900297 [0,2,1,0,0,0|0,0,0]=3 239 B12R0.142 CCCCCC(C)NCC(C)CO AIFCHEM-94564403735 [0,2,1,0,0,0|0,0,0]=3 240 B12R0.142 CCCCCC(C)NCC(F)CC AIFCHEM-94564402700 [0,2,1,0,0,0|1,0,0]=4 241 B12R0.142 CCCCCC(C)NCC(O)CC AIFCHEM-94564402461 [0,2,1,0,0,0|0,0,0]=3 242 B12R0.142 CCCCCC(C)NC[C@H](O)CC AIFCHEM-94564402459 [0,2,1,0,0,0|0,0,0]=3 243 B12R0.248 CCCCCCCCNC(C)CO AIFCHEM-5795754270 [0,2,1,0,0,0|1,0,0]=4 244 B12R0.248 CCCCCCCCN[C@@H](C)CO AIFCHEM-6433079778 [0,2,1,0,0,0|1,0,0]=4 245 B12R0.248 CCCCCCCCN[C@H](C)CO AIFCHEM-6477077636 [0,2,1,0,0,0|1,0,0]=4 246 B12R0.248 CCCCCCCNCC(C)CC AIFCHEM-94534470034 [0,2,1,0,0,0|1,0,0]=4 247 B12R0.251 CCCCCCCNC(C)C(C)C AIFCHEM-94589460841 [0,2,1,0,0,0|1,0,0]=4 248 B12R0.251 CCCCCCCN[C@H](C)C(C)C AIFCHEM-94589457583 [0,2,1,0,0,0|1,0,0]=4 249 B12R0.251 COCCOCCNC(C)C(C)O AIFCHEM-94547070358 [0,2,1,0,0,0|1,0,0]=4 250 B12R0.48 CC(O)C(C)NC[C@H](C)CCCO AIFCHEM-94547068361 [0,2,1,0,0,0|1,0,0]=4 251 B12R0.255 CCCCCCC(=O)NCC(C)C AIFCHEM-94521991352 [0,2,1,0,0,0|1,0,0]=4 252 B12R0.255 CCCCCCC(C)NCC(C)O AIFCHEM-6466302277 [0,2,1,0,0,0|0,0,0]=3 253 B12R0.255 CCCCCCC(C)NC[C@@H](C)O AIFCHEM-6491140969 [0,2,1,0,0,0|0,0,0]=3 254 B12R0.255 CCCCCCC(C)NC[C@H](C)O AIFCHEM-6493617427 [0,2,1,0,0,0|0,0,0]=3 255 B12R0.649 CCCCCC(C)NCC(C)(C)C AIFCHEM-94564410851 [0,2,1,0,0,0|1,0,0]=4 256 B12R0.119 CCCCCCCNCC(C)(C)O AIFCHEM-94589457221 [0,2,1,0,0,0|0,0,0]=3 257 B12R0.256 CSCCCN(CCO)CC(C)O AIFCHEM-94546185355 [0,2,1,0,0,0|1,0,0]=4 258 B12R0.147 CCC(O)CN(C)CCC(C)SC AIFCHEM-6467361229 [0,2,1,0,0,0|1,0,0]=4 259 B12R0.155 CSC(C)CCN(C)CC(C)(C)O AIFCHEM-6397781990 [0,2,1,0,0,0|1,0,0]=4 260 B12R0.399 CCC(C)CN(CCO)CC(C)O AIFCHEM-6465392126 [0,2,1,0,0,0|1,0,0]=4 261 B12R0.407 CCCN(CC(C)OC)C(=O)CC AIFCHEM-95159601895 [0,2,1,0,0,0|0,0,1]=4 262 B12R0.407 CCCN(C[C@@H](C)OC)C(=O)CC AIFCHEM-95157716767 [0,2,1,0,0,0|0,0,1]=4 263 B12R0.407 CCCN(C[C@H](C)OC)C(=O)CC AIFCHEM-95157525703 [0,2,1,0,0,0|0,0,1]=4 264 B12R0.163 CCCN(CCC)C(=O)C(O)CO AIFCHEM-94536245524 [0,2,1,0,0,0|0,0,1]=4 265 B12R0.162 CCCN(CCO)CC(OC)OC AIFCHEM-94534711818 [0,2,1,0,0,0|1,0,0]=4 266 B12R0.129 CCCCN(C[C@@H](C)OC)C(=O)C AIFCHEM-98288314164 [0,2,1,0,0,0|0,0,1]=4 267 B12R0.129 CCCCN(C[C@H](C)OC)C(=O)C AIFCHEM-94685533922 [0,2,1,0,0,0|0,0,1]=4 268 B12R0.218 CCN(CCCO)CC(OC)OC AIFCHEM-94531395493 [0,2,1,0,0,0|1,0,0]=4 269 B12R0.218 CCN(CCOC)CC(OC)OC AIFCHEM-5762931040 [0,2,1,0,0,0|1,0,0]=4 270 B12R1.321 CCCCN1CCOC[C@@H](C1)O AIFCHEM-94523027809 [1,2,0,0,0,0|1,0,0]=4 271 B12R1.321 CCCCN1CCOC[C@H](C1)O AIFCHEM-94523031229 [1,2,0,0,0,0|1,0,0]=4 272 B12R1.1443 CCCN1CCOCC(C1)(C)O AIFCHEM-94569014289 [1,2,0,0,0,0|1,0,0]=4 273 B12R1.348 CCCCN1CCCC(CC1)F AIFCHEM-94523031232 [1,2,0,0,0,0|0,0,0]=3 274 B12R1.1143 CCCN1CCCN(CC1)CC AIFCHEM-94569017824 [1,2,0,0,0,0|1,0,0]=4 275 B12R1.1658 CC1CCCN(CC1)C(=O)CO AIFCHEM-94532687057 [1,2,0,0,0,0|0,0,1]=4 276 B12R1.1564 COCC(C)N1CCCOCC1 AIFCHEM-94553865999 [1,2,0,0,0,0|1,0,0]=4 277 B12R1.19 CC(C)CN1CC[C@H]([C@@H](C1)O)F AIFCHEM-94572986920 [0,2,0,0,1,0|1,0,0]=4 278 B12R1.20 CC1CCN(CC1)C(=O)C(C)O AIFCHEM-94540233728 [0,2,0,0,1,0|0,0,1]=4 279 B12R1.20 CC1CCN(CC1)C(=O)[C@@H](C)O AIFCHEM-94595732835 [0,2,0,0,1,0|0,0,1]=4 280 B12R1.20 CC1CCN(CC1)C(=O)[C@H](C)O AIFCHEM-94595740859 [0,2,0,0,1,0|0,0,1]=4 281 B12R1.1819 CC(C)CN1CCC(CC1)(C)C AIFCHEM-94572980656 [0,2,0,0,1,0|1,0,0]=4 282 B12R1.225 CC(O)C(C)N1CCCC(C1)O AIFCHEM-94547074201 [0,2,0,0,1,0|0,0,0]=3 283 B12R1.225 CC(O)C(C)N1CCC[C@H](C1)O AIFCHEM-94531245078 [0,2,0,0,1,0|0,0,0]=3 284 B12R1.225 CC1CN(CCS1)C(C)C(C)O AIFCHEM-94534775651 [0,2,0,0,1,0|1,0,0]=4 285 B12R1.564 CC(N1CCCOC1)C(C)(C)O AIFCHEM-5765853473 [0,2,0,0,1,0|1,0,0]=4 286 B12R1.50 CC1CCCN(C1)CC(O)CO AIFCHEM-94534150272 [0,2,0,0,1,0|0,0,0]=3 287 B12R1.50 CC1CCCN(C1)C[C@H](O)CO AIFCHEM-94534149715 [0,2,0,0,1,0|0,0,0]=3 288 B12R1.50 C[C@@H]1CCCN(C1)C[C@H](O)CO AIFCHEM-94590561619 [0,2,0,0,1,0|0,0,0]=3 289 B12R1.50 C[C@H]1CCCN(C1)CC(O)CO AIFCHEM-94598398353 [0,2,0,0,1,0|0,0,0]=3 290 B12R1.50 C[C@H]1CCCN(C1)C[C@H](O)CO AIFCHEM-94598397796 [0,2,0,0,1,0|0,0,0]=3 291 B12R1.194 CC(C)(CO)CN1CCCOC1 AIFCHEM-5756423554 [0,2,0,0,1,0|1,0,0]=4 292 B12R1.438 COC1CCCN(C1)CC(C)C AIFCHEM-94572983773 [0,2,0,0,1,0|1,0,0]=4 293 B12R1.438 CO[C@@H]1CCCN(C1)CC(C)C AIFCHEM-94572983774 [0,2,0,0,1,0|1,0,0]=4 294 B12R1.438 CO[C@H]1CCCN(C1)CC(C)C AIFCHEM-94572983775 [0,2,0,0,1,0|1,0,0]=4 295 B14R1.1224 CCC(C)CN1CCCCCCCC1 AIFCHEM-94559694733 [0,1,0,0,0,2|1,0,0]=4 296 B14R1.6135 COC(CO)CNC1CCCCCC1 AIFCHEM-94529606710 [0,2,0,0,0,1|1,0,0]=4 297 B14R1.7683 CSC(C)CCN1CCCC(CC1)C AIFCHEM-6018424755 [0,2,0,0,0,1|0,1,0]=4 298 B14R1.7683 CSC(C)CCN1CCCC(CC1)F AIFCHEM-5860560122 [0,2,0,0,0,1|0,1,0]=4 299 B14R1.16891 CCN(C[C@H](C)O)C1CCCCCC1 AIFCHEM-94529616101 [0,2,0,0,0,1|1,0,0]=4 300 B14R1.1732 CCC(C)CN1CCCCC(C1)CO AIFCHEM-6508800871 [0,3,0,0,0,0|1,0,0]=4 301 B14R1.10052 CC(O)C(C)N1CCOCC(C1)(C)O AIFCHEM-94547067457 [0,3,0,0,0,0|1,0,0]=4 302 B14R1.2769 COC(C)C(=O)N1CCCC(CC1)F AIFCHEM-5870687726 [0,3,0,0,0,0|0,0,1]=4 303 B14R1.2769 CO[C@@H](C)C(=O)N1CCCC(CC1)F AIFCHEM-5826671045 [0,3,0,0,0,0|0,0,1]=4 304 B14R1.2769 CO[C@H](C)C(=O)N1CCCC(CC1)F AIFCHEM-5826626316 [0,3,0,0,0,0|0,0,1]=4 305 B14R1.5789 CC(C)(CO)CN1CCCC(CC1)O AIFCHEM-6507499199 [0,3,0,0,0,0|0,0,0]=3 306 B14R1.21269 CCN1CCCN(CC1)CC(O)CO AIFCHEM-6085315151 [0,3,0,0,0,0|1,0,0]=4 307 B14R1.21269 CCN1CCCN(CC1)C[C@H](O)CO AIFCHEM-94590563673 [0,3,0,0,0,0|1,0,0]=4 308 B14R1.1793 CCN1CCCN(CC1)C(C)C(C)O AIFCHEM-94547070992 [0,3,0,0,0,0|1,0,0]=4 309 B14R1.1793 COC1CCCN(CC1)C(C)C(C)O AIFCHEM-94547065466 [0,3,0,0,0,0|0,0,0]=3 310 B14R1.14265 CC(N1CCCC(CC1)F)C(C)(C)O AIFCHEM-5860536297 [0,3,0,0,0,0|0,0,0]=3 311 B10R1.24 CCCNC[C@H]1C[C@H](C1)O AIFCHEM-94569012239 [1,0,1,1,0,0|1,0,0]=4 312 B10R1.66 CC(C)CNC1CCCC1 AIFCHEM-94541531128 [1,0,1,1,0,0|1,0,0]=4 313 B10R1.66 CC(O)CNC1CCOC1 AIFCHEM-94558282753 [1,0,1,1,0,0|1,0,0]=4 314 B10R1.66 C[C@@H](O)CNC1CCOC1 AIFCHEM-6509503261 [1,0,1,1,0,0|1,0,0]=4 315 B10R1.66 C[C@H](O)CNC1CCOC1 AIFCHEM-6509841735 [1,0,1,1,0,0|1,0,0]=4 316 B10R1.73 CC(C)CNC[C@@H]1C[C@H]1C AIFCHEM-94572976968 [1,0,1,1,0,0|1,0,0]=4 317 B10R1.21 CCCNCC1CCOC1 AIFCHEM-94521371393 [1,0,1,1,0,0|1,0,0]=4 318 B10R1.21 CCCNC[C@@H]1CCOC1 AIFCHEM-94569012262 [1,0,1,1,0,0|1,0,0]=4 319 B10R1.21 CCCNC[C@H]1CCOC1 AIFCHEM-94569008849 [1,0,1,1,0,0|1,0,0]=4 320 B10R1.29 CCCNC1CCCC1O AIFCHEM-94581021104 [1,0,1,1,0,0|1,0,0]=4 321 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443780 [1,0,1,1,0,0|1,0,0]=4 322 B10R1.29 CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94569017210 [1,0,1,1,0,0|1,0,0]=4 323 B10R1.29 CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94569021468 [1,0,1,1,0,0|1,0,0]=4 324 B10R1.29 CCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833107 [1,0,1,1,0,0|1,0,0]=4 325 B10R1.266 CC(O)CN(C)C1CCC1 AIFCHEM-94576048805 [1,0,1,1,0,0|0,0,0]=3 326 B10R1.186 CCCCCN(C)C1CC1 AIFCHEM-94551435824 [1,0,1,1,0,0|0,0,0]=3 327 B10R1.95 CCCN1CCC(C1)(C)O AIFCHEM-94569010947 [1,0,1,1,0,0|0,0,0]=3 328 B10R1.95 CCCN1CC[C@@](C1)(C)O AIFCHEM-94558111044 [1,0,1,1,0,0|0,0,0]=3 329 B10R1.95 CCCN1CC[C@](C1)(C)O AIFCHEM-94569014761 [1,0,1,1,0,0|0,0,0]=3 330 B10R1.131 CCCN1C[C@@H]([C@H](C1)F)O AIFCHEM-94569014557 [1,0,1,1,0,0|1,0,0]=4 331 B10R1.131 CCCN1C[C@H]([C@@H](C1)F)O AIFCHEM-94569012992 [1,0,1,1,0,0|1,0,0]=4 332 B10R1.131 CCCN1C[C@H]([C@H](C1)O)F AIFCHEM-94569012554 [1,0,1,1,0,0|1,0,0]=4 333 B10R1.172 CCC1CN(CCO1)CC AIFCHEM-94537413527 [1,0,1,1,0,0|0,0,0]=3 334 B10R1.172 CCN1CCCC(C1)CF AIFCHEM-94537413764 [1,0,1,1,0,0|1,0,0]=4 335 B10R1.172 CC[C@H]1CN(CCO1)CC AIFCHEM-94537415460 [1,0,1,1,0,0|0,0,0]=3 336 B10R1.176 CCN1CCN(C(C1)C)C AIFCHEM-94537419191 [1,0,1,1,0,0|1,0,0]=4 337 B10R1.176 CCN1CCN([C@@H](C1)C)C AIFCHEM-94567628930 [1,0,1,1,0,0|1,0,0]=4 338 B10R1.176 CCN1CCN([C@H](C1)C)C AIFCHEM-94537422010 [1,0,1,1,0,0|1,0,0]=4 339 B10R1.469 CCN(CC1CC1)C(C)C AIFCHEM-6169691749 [0,0,1,1,1,0|1,0,0]=4 340 B12R1.337 CCCCN1CC[C@@H](C1)C(C)C AIFCHEM-94523033929 [0,0,1,1,0,1|1,0,0]=4 341 B12R1.107 CC(O)CN(C)C1CCCCC1 AIFCHEM-94601788801 [0,1,1,1,0,0|0,0,0]=3 342 B12R1.27 CC(CO)CNC1CCCSC1 AIFCHEM-94540292456 [0,1,1,1,0,0|1,0,0]=4 343 B12R1.27 CCC(F)CNC1CCCCC1 AIFCHEM-94601787259 [0,1,1,1,0,0|1,0,0]=4 344 B12R1.27 CCC(O)CNC1CCCCC1 AIFCHEM-94601787020 [0,1,1,1,0,0|0,0,0]=3 345 B12R1.27 CC[C@@H](O)CNC1CCCCC1 AIFCHEM-94601787018 [0,1,1,1,0,0|0,0,0]=3 346 B12R1.82 CCC1CCCN1CC(O)CO AIFCHEM-5833846528 [0,1,1,1,0,0|0,0,0]=3 347 B12R1.82 CCC1CCCN1C[C@H](O)CO AIFCHEM-94590567176 [0,1,1,1,0,0|0,0,0]=3 348 B12R1.82 OCC(O)CN1CCC[C@H]1CF AIFCHEM-6202907999 [0,1,1,1,0,0|1,0,0]=4 349 B12R1.82 OC[C@@H](O)CN1CCC[C@H]1CF AIFCHEM-94590568395 [0,1,1,1,0,0|1,0,0]=4 350 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1C AIFCHEM-94589465165 [0,1,1,1,0,0|1,0,0]=4 351 B12R1.353 COC(C)CNC1CCOC1C AIFCHEM-5789076250 [0,1,1,1,0,0|1,0,0]=4 352 B12R1.353 CO[C@@H](C)CNC1CCOC1C AIFCHEM-5929569978 [0,1,1,1,0,0|1,0,0]=4 353 B12R1.353 CO[C@H](C)CNC1CCOC1C AIFCHEM-94608838817 [0,1,1,1,0,0|1,0,0]=4 354 B12R1.477 CC(C#N)CNCC1CCCC1 AIFCHEM-6038231762 [0,1,1,1,0,0|1,0,0]=4 355 B12R1.477 OCC(O)CNCC1CCOC1 AIFCHEM-94535545439 [0,1,1,1,0,0|1,0,0]=4 356 B12R1.477 OCC(O)CNC[C@@H]1CCCO1 AIFCHEM-5708891801 [0,1,1,1,0,0|1,0,0]=4 357 B12R1.477 OCC(O)CNC[C@@H]1CCOC1 AIFCHEM-5691232965 [0,1,1,1,0,0|1,0,0]=4 358 B12R1.477 OCC(O)CNC[C@H]1CCCO1 AIFCHEM-5622331062 [0,1,1,1,0,0|1,0,0]=4 359 B12R1.477 OCC(O)CNC[C@H]1CCOC1 AIFCHEM-6021819651 [0,1,1,1,0,0|1,0,0]=4 360 B12R1.477 OC[C@@H](F)CNCC1CCCC1 AIFCHEM-94577441765 [0,1,1,1,0,0|1,0,0]=4 361 B12R1.477 OC[C@@H](O)CNCC1CCOC1 AIFCHEM-6444533457 [0,1,1,1,0,0|1,0,0]=4 362 B12R1.477 OC[C@@H](O)CNC[C@@H]1CCCO1 AIFCHEM-94590561416 [0,1,1,1,0,0|1,0,0]=4 363 B12R1.477 OC[C@@H](O)CNC[C@@H]1CCOC1 AIFCHEM-94530319796 [0,1,1,1,0,0|1,0,0]=4 364 B12R1.477 OC[C@@H](O)CNC[C@H]1CCCO1 AIFCHEM-94590567685 [0,1,1,1,0,0|1,0,0]=4 365 B12R1.477 OC[C@@H](O)CNC[C@H]1CCOC1 AIFCHEM-94590554698 [0,1,1,1,0,0|1,0,0]=4 366 B12R1.477 OC[C@H](F)CNCC1CCCC1 AIFCHEM-6472417081 [0,1,1,1,0,0|1,0,0]=4 367 B12R1.477 OC[C@H](O)CNCC1CCOC1 AIFCHEM-6464876996 [0,1,1,1,0,0|1,0,0]=4 368 B12R1.821 OCCCCCNCC1(CC1)O AIFCHEM-6416576311 [0,1,1,1,0,0|1,0,0]=4 369 B12R1.80 CC(O)C(C)N1CCCC1CO AIFCHEM-94547072327 [0,1,1,1,0,0|1,0,0]=4 370 B12R1.80 CC(O)C(C)N1CCC[C@@H]1CO AIFCHEM-94607709010 [0,1,1,1,0,0|1,0,0]=4 371 B12R1.145 CC(O)C(C)NC1CCCC1O AIFCHEM-94581024522 [0,1,1,1,0,0|1,0,0]=4 372 B12R1.145 CC(O)C(C)N[C@@H]1CCC[C@@H]1O AIFCHEM-94547069001 [0,1,1,1,0,0|1,0,0]=4 373 B12R1.145 CC(O)C(C)N[C@@H]1CCC[C@H]1O AIFCHEM-94519725886 [0,1,1,1,0,0|1,0,0]=4 374 B12R1.145 CC(O)C(C)N[C@H]1CCC[C@@H]1O AIFCHEM-94547074636 [0,1,1,1,0,0|1,0,0]=4 375 B12R1.145 CC(O)C(C)N[C@H]1CCC[C@H]1O AIFCHEM-94547065155 [0,1,1,1,0,0|1,0,0]=4 376 B12R1.264 CC(O)C(=O)NCC1CCCC1 AIFCHEM-94540233518 [0,1,1,1,0,0|0,0,1]=4 377 B12R1.264 CC(O)C(C)NCC1CCOC1 AIFCHEM-94547067550 [0,1,1,1,0,0|1,0,0]=4 378 B12R1.264 CC(O)C(C)NC[C@@H]1CCCO1 AIFCHEM-94547068735 [0,1,1,1,0,0|1,0,0]=4 379 B12R1.264 CC(O)C(C)NC[C@@H]1CCOC1 AIFCHEM-94547065430 [0,1,1,1,0,0|1,0,0]=4 380 B12R1.264 CC(O)C(C)NC[C@H]1CCCO1 AIFCHEM-94547074974 [0,1,1,1,0,0|1,0,0]=4 381 B12R1.264 CC(O)C(C)NC[C@H]1CCOC1 AIFCHEM-94547062017 [0,1,1,1,0,0|1,0,0]=4 382 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 AIFCHEM-6158277103 [0,1,1,1,0,0|0,0,1]=4 383 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 AIFCHEM-94573927956 [0,1,1,1,0,0|0,0,1]=4 384 B12R1.482 CCCCCC(C)N[C@@H]1C[C@H]1C AIFCHEM-94564415376 [0,1,1,1,0,0|1,0,0]=4 385 B12R1.252 CC(C)CNCC1CCSCC1 AIFCHEM-6162419822 [0,1,1,1,0,0|1,0,0]=4 386 B12R1.28 CCCCCN1CCCC(C1)O AIFCHEM-94580239468 [0,1,1,1,0,0|1,0,0]=4 387 B12R1.28 CCCCCN1CCC[C@@H](C1)O AIFCHEM-94574936392 [0,1,1,1,0,0|1,0,0]=4 388 B12R1.28 CCCCCN1CCC[C@H](C1)O AIFCHEM-94531241210 [0,1,1,1,0,0|1,0,0]=4 389 B12R1.28 CCCCNC1CCCC(C1)O AIFCHEM-94523040709 [0,1,1,1,0,0|1,0,0]=4 390 B12R1.28 CCCCN[C@@H]1CCC[C@@H](C1)O AIFCHEM-94523035189 [0,1,1,1,0,0|1,0,0]=4 391 B12R1.28 CCCCN[C@@H]1CCC[C@H](C1)O AIFCHEM-94523033472 [0,1,1,1,0,0|1,0,0]=4 392 B12R1.28 CCCCN[C@H]1CCC[C@@H](C1)O AIFCHEM-94549104757 [0,1,1,1,0,0|1,0,0]=4 393 B12R1.28 CCCCN[C@H]1CCC[C@H](C1)O AIFCHEM-94523030100 [0,1,1,1,0,0|1,0,0]=4 394 B12R1.62 CCCCCCCN1CC(C1)O AIFCHEM-94589454820 [0,1,1,1,0,0|0,0,0]=3 395 B12R1.130 CC(C)CNCC1CCCN1C AIFCHEM-94572978701 [0,1,1,1,0,0|1,0,0]=4 396 B12R1.130 CC(C)CNC[C@@H]1CCCN1C AIFCHEM-94572977861 [0,1,1,1,0,0|1,0,0]=4 397 B12R1.130 CC(C)CNC[C@H]1CCCN1C AIFCHEM-94572983540 [0,1,1,1,0,0|1,0,0]=4 398 B12R1.255 CC(C)CNCCN1CCCC1 AIFCHEM-94572984042 [0,1,1,1,0,0|1,0,0]=4 399 B12R1.375 CCCCCCCNCC1CC1 AIFCHEM-94589462287 [0,1,1,1,0,0|1,0,0]=4 400 B12R1.129 CC1CCCC1NCC(C)(C)C AIFCHEM-5977554291 [0,1,1,1,0,0|1,0,0]=4 401 B12R1.129 CC1SCCC1NCC(C)(C)O AIFCHEM-6439090177 [0,1,1,1,0,0|1,0,0]=4 402 B12R1.890 CC(C)(C)CNCC1CCCC1 AIFCHEM-5965435584 [0,1,1,1,0,0|1,0,0]=4 403 B12R1.891 CC(C)(O)CNC1CCCSC1 AIFCHEM-6465033744 [0,1,1,1,0,0|1,0,0]=4 404 B12R1.891 CC(C)(O)CNC1CCSCC1 AIFCHEM-6422135736 [0,1,1,1,0,0|1,0,0]=4 405 B12R1.476 CCN(C[C@H](C)O)C1CCOC1 AIFCHEM-6463071801 [0,1,1,1,0,0|1,0,0]=4 406 B12R1.2099 CCN(CC(C)C)CC1CCC1 AIFCHEM-6081735064 [0,1,1,1,0,0|1,0,0]=4 407 B12R1.177 COCC1CN(C1)CC(O)CO AIFCHEM-6247801944 [0,1,1,1,0,0|1,0,0]=4 408 B12R1.177 COCC1CN(C1)C[C@H](O)CO AIFCHEM-94590570316 [0,1,1,1,0,0|1,0,0]=4 409 B12R1.304 CCC(C)CN(C)CC1CCC1 AIFCHEM-6171831864 [0,1,1,1,0,0|1,0,0]=4 410 B12R1.483 CCCCCN(C)CC1CCC1 AIFCHEM-6170005315 [0,1,1,1,0,0|1,0,0]=4 411 B12R1.3209 CCCCCN1CC(C1)(C)C#N AIFCHEM-94551438833 [0,1,1,1,0,0|1,0,0]=4 412 B12R1.3209 CSCCCN1CC(C1)(C)CO AIFCHEM-94546176844 [0,1,1,1,0,0|1,0,0]=4 413 B12R1.265 CN(CC(C)(C)O)C1CCOC1 AIFCHEM-6398565777 [0,1,1,1,0,0|1,0,0]=4 414 B12R1.1401 CN(CC1CCC1)CC(C)(C)C AIFCHEM-6091761322 [0,1,1,1,0,0|1,0,0]=4 415 B12R1.1531 CCCN(CC(C)C)CC1CC1 AIFCHEM-94558950057 [0,1,1,1,0,0|1,0,0]=4 416 B12R1.1707 CC(CO)N1CCCC(C1)(C)O AIFCHEM-6472029159 [0,1,1,1,0,0|1,0,0]=4 417 B12R1.1707 CC(CO)N1CCC[C@@](C1)(C)O AIFCHEM-6510323464 [0,1,1,1,0,0|1,0,0]=4 418 B12R1.1707 CC(CO)N1CCC[C@](C1)(C)O AIFCHEM-6497954694 [0,1,1,1,0,0|1,0,0]=4 419 B12R1.933 CCCCN(CC(C)C)C1CC1 AIFCHEM-94523027772 [0,1,1,1,0,0|1,0,0]=4 420 B12R1.1510 CCCN(CCC)CC1CCC1 AIFCHEM-94542431475 [0,1,1,1,0,0|1,0,0]=4 421 B12R1.2128 CCN(CC1CC1)C(C)C(C)C AIFCHEM-5893605987 [0,1,1,1,0,0|1,0,0]=4 422 B12R1.501 CCCCN(CC)CC1CCC1 AIFCHEM-5917002601 [0,1,1,1,0,0|1,0,0]=4 423 B12R1.2667 CCN(CC(O)CO)C1CCC1 AIFCHEM-6011995040 [0,1,1,1,0,0|0,0,0]=3 424 B12R1.2667 CCN(C[C@H](O)CO)C1CCC1 AIFCHEM-94590557483 [0,1,1,1,0,0|0,0,0]=3 425 B12R2.324 CCC1CCCN1CC2CC2 AIFCHEM-5850822849 [0,0,1,2,0,0|1,0,0]=4 426 B12R2.111 CC1CCCC1N2CC(C2)O AIFCHEM-6468502580 [0,0,1,2,0,0|0,0,0]=3 427 B12R2.136 FC1CN(C1)CC2CCCC2 AIFCHEM-5600165222 [0,0,1,2,0,0|1,0,0]=4 428 B12R2.5303 CC1(CN(C1)CC2CCC2)C AIFCHEM-5698807710 [0,0,1,2,0,0|1,0,0]=4 429 B12R2.3814 CCN(CC1CC1)C2CCC2 AIFCHEM-6012139365 [0,0,1,2,0,0|1,0,0]=4 430 B12R2.165 CCCN1C2CCCC1CC2 AIFCHEM-94569021404 [1,1,0,1,0,0|1,0,0]=4 431 B12R2.3807 C1CC(C1)N2CCCOCC2 AIFCHEM-94553861891 [1,1,0,1,0,0|1,0,0]=4 432 B12R2.3482 CC(CO)N1CCOC2C1C2 AIFCHEM-6095265889 [1,1,0,1,0,0|1,0,0]=4 433 B12R2.4309 CC(O)C(=O)N1CC2CC2C1 AIFCHEM-94584692303 [0,1,0,1,1,0|0,0,1]=4 434 B12R2.4309 C[C@@H](O)C(=O)N1CC2CC2C1 AIFCHEM-94584686033 [0,1,0,1,1,0|0,0,1]=4 435 B12R2.4309 C[C@H](O)C(=O)N1CC2CC2C1 AIFCHEM-94584694057 [0,1,0,1,1,0|0,0,1]=4 436 B12R2.1619 CCC(C)CN1CC2CC2C1 AIFCHEM-94584685724 [0,1,0,1,1,0|1,0,0]=4 437 B12R2.1619 OCC(O)CN1CC2CC2C1 AIFCHEM-94584683704 [0,1,0,1,1,0|0,0,0]=3 438 B12R2.1619 OC[C@@H](O)CN1CC2CC2C1 AIFCHEM-94584683147 [0,1,0,1,1,0|0,0,0]=3 439 B14R2.8940 OC1CC(C1)N2CCCCCCC2 AIFCHEM-5998970681 [0,0,0,1,0,2|0,0,0]=3 440 B14R2.768 CC(C)CN1CC2CCCCC2C1 AIFCHEM-94572977832 [0,0,0,1,0,2|1,0,0]=4 441 B14R2.768 CC(C)CN1C[C@H]2CCCC[C@H]2C1 AIFCHEM-94572975651 [0,0,0,1,0,2|1,0,0]=4 442 B14R2.12797 C1CCCC(CC1)CNC2COC2 AIFCHEM-5729471057 [0,1,0,1,0,1|1,0,0]=4 443 B14R2.12797 C1CCCC(CC1)NCC2COC2 AIFCHEM-94529615033 [0,1,0,1,0,1|1,0,0]=4 444 B14R2.35094 COC(C)CNC1CCCC2C1C2 AIFCHEM-5850914850 [0,1,0,1,0,1|1,0,0]=4 445 B14R2.35094 CO[C@@H](C)CNC1CCCC2C1C2 AIFCHEM-94588784128 [0,1,0,1,0,1|1,0,0]=4 446 B14R2.35094 CO[C@H](C)CNC1CCCC2C1C2 AIFCHEM-94608840222 [0,1,0,1,0,1|1,0,0]=4 447 B14R2.35094 OCC(O)CNC1CCCC2C1C2 AIFCHEM-6422105823 [0,1,0,1,0,1|1,0,0]=4 448 B14R2.35094 OC[C@@H](O)CNC1CCCC2C1C2 AIFCHEM-6444220501 [0,1,0,1,0,1|1,0,0]=4 449 B14R2.35094 OC[C@H](O)CNC1CCCC2C1C2 AIFCHEM-6464846668 [0,1,0,1,0,1|1,0,0]=4 450 B14R2.5325 OC1CCCN(CC1)C2CC(C2)O AIFCHEM-6505539456 [0,1,0,1,0,1|0,0,0]=3 451 B14R2.45819 CC(C)(O)CNC1CCCC2C1C2 AIFCHEM-6422080599 [0,1,0,1,0,1|1,0,0]=4 452 B14R2.2844 CCC(C)CN1C[C@H]2CCO[C@H]2C1 AIFCHEM-5600256337 [0,1,0,1,0,1|1,0,0]=4 453 B14R2.5615 CC(C)CN1C[C@@H]2CCN([C@@H]2C1)C AIFCHEM-94572973732 [0,1,0,1,0,1|1,0,0]=4 454 B14R2.2845 CCC(C)CN1CC2CCC(C1)O2 AIFCHEM-94579894016 [0,2,0,1,0,0|1,0,0]=4 455 B14R2.2845 CCC(C)CN1C[C@H]2CC[C@@H](C1)O2 AIFCHEM-6046158214 [0,2,0,1,0,0|1,0,0]=4 456 B14R2.5958 CC(C)CN1CC2CCC(C1)N2C AIFCHEM-94572976259 [0,2,0,1,0,0|1,0,0]=4 457 B14R2.23404 CC(C1CC1)N2CCCC(CC2)O AIFCHEM-6492986775 [0,2,0,1,0,0|1,0,0]=4 458 B14R2.24002 CC1(COC1)CN2CCCOCC2 AIFCHEM-94553867894 [0,2,0,1,0,0|1,0,0]=4 459 B14R3.9278 OC1CC(C1)N2CCOC3C2C3 AIFCHEM-6133435131 [0,0,0,2,0,1|1,0,0]=4 460 B14R1.1454 CC(O)CCNC1CCCCCCC1 AIFCHEM-94577736057 [0,0,0,0,0,3|1,0,0]=4 461 B14R1.1454 C[C@H](O)CCNC1CCCCCCC1 AIFCHEM-94544714323 [0,0,0,0,0,3|1,0,0]=4