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N/C(=N\O)/COCC1=CC=CC=C1 MCULE-6140394185 [1,0,0,0,0,0|1,1,1]=4 129 B13R1.718 NC(CO)COCC1=CC=CC=C1 MCULE-2803237620 [1,0,0,0,0,0|0,1,1]=3 130 B13R1.718 NC(CO)COCC1=CC=CC=C1 MCULE-3193499540 [1,0,0,0,0,0|0,1,1]=3 131 B13R1.718 NC(CO)COCC1=CC=CC=C1 MCULE-5895593275 [1,0,0,0,0,0|0,1,1]=3 132 B13R1.718 NC(CO)COCC1=CC=CC=C1 MCULE-6971171448 [1,0,0,0,0,0|0,1,1]=3 133 B13R1.718 NC(CO)CSCC1=CC=CC=C1 MCULE-8286161818 [1,0,0,0,0,0|0,0,1]=2 134 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 MCULE-1028373926 [1,0,0,0,0,0|0,1,1]=3 135 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 MCULE-1504558815 [1,0,0,0,0,0|0,1,1]=3 136 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 MCULE-2354785896 [1,0,0,0,0,0|0,1,1]=3 137 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 MCULE-5268844709 [1,0,0,0,0,0|0,1,1]=3 138 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 MCULE-1722252406 [1,0,0,0,0,0|0,1,1]=3 139 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 MCULE-4822217417 [1,0,0,0,0,0|0,1,1]=3 140 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 MCULE-7066692485 [1,0,0,0,0,0|0,1,1]=3 141 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 MCULE-9256707330 [1,0,0,0,0,0|0,1,1]=3 142 B13R1.718 N[C@H](CO)CSCC1=CC=CC=C1 MCULE-5136442507 [1,0,0,0,0,0|0,0,1]=2 143 B13R1.718 N[C@H](CO)CSCC1=CC=CC=C1 MCULE-6068483138 [1,0,0,0,0,0|0,0,1]=2 144 B13R1.718 OCC(O)COCC1=CC=CC=C1 MCULE-7971287311 [1,0,0,0,0,0|1,1,1]=4 145 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 MCULE-7194781091 [1,0,0,0,0,0|1,1,1]=4 146 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 MCULE-8614581579 [1,0,0,0,0,0|1,1,1]=4 147 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 MCULE-5957161309 [1,0,0,0,0,0|1,1,1]=4 148 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 MCULE-7257670474 [1,0,0,0,0,0|1,1,1]=4 149 B13R1.718 [C@H](N)(CO)CSCC1=CC=CC=C1 MCULE-6715083466 [1,0,0,0,0,0|0,0,1]=2 150 B15R1.112 CC1=CC=C(C=C1)CSCC(N)C(=O)O MCULE-1734368417 [0,1,0,0,0,0|0,0,0]=1 151 B15R1.112 CC1=CC=C(C=C1)CSC[C@@H](N)C(=O)O MCULE-8679726979 [0,1,0,0,0,0|0,0,0]=1 152 B15R1.112 CC1=CC=C(C=C1)CSC[C@@H](N)C(=O)O MCULE-8688766488 [0,1,0,0,0,0|0,0,0]=1 153 B15R1.112 CC1=CC=C(C=C1)CSC[C@H](N)C(=O)O MCULE-4116784746 [0,1,0,0,0,0|0,0,0]=1 154 B15R1.112 CC1=CC=C(C=C1)CSC[C@H](N)C(=O)O MCULE-7111921982 [0,1,0,0,0,0|0,0,0]=1 155 B15R1.112 N[C@@H](CCCC1=CC=C(C=C1)Cl)C(=O)O MCULE-5674108398 [0,1,0,0,0,0|1,0,0]=2 156 B15R1.112 N[C@@H](CCCC1=CC=C(C=C1)Cl)C(=O)O MCULE-9933471812 [0,1,0,0,0,0|1,0,0]=2 157 B15R1.257 NC(CSCC1=CC=CC=C1Cl)C(=O)O MCULE-9600665306 [0,1,0,0,0,0|0,0,0]=1 158 B15R1.500 CC(CNC(C)C1=CC=CC=C1)C(=O)O MCULE-8792732580 [0,1,0,0,0,0|2,0,0]=3 159 B15R1.500 CC(CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-9308182384 [0,1,0,0,0,0|1,0,1]=3 160 B15R1.500 C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-1408376648 [0,1,0,0,0,0|1,0,1]=3 161 B15R1.500 C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)O MCULE-7902641652 [0,1,0,0,0,0|1,0,1]=3 162 B15R1.500 NC(CCC(=O)C1=CC=CC=C1)C(=O)O MCULE-3072103469 [0,1,0,0,0,0|1,0,1]=3 163 B15R1.500 O=C(O)C(Br)CCC(Br)C1=CC=CC=C1 MCULE-1982266833 [0,1,0,0,0,0|2,0,0]=3 164 B15R1.1321 CCC(=O)[C@@H](C)COCC1=CC=CC=C1 MCULE-1587098838 [0,1,0,0,0,0|2,1,0]=4 165 B15R1.1321 COC(=O)C(Br)COCC1=CC=CC=C1 MCULE-7331970162 [0,1,0,0,0,0|1,1,0]=3 166 B15R1.1321 COC(=O)C(C)CNCC1=CC=CC=C1 MCULE-3887300470 [0,1,0,0,0,0|2,0,0]=3 167 B15R1.1321 COC(=O)C(C)CNCC1=CC=CC=N1 MCULE-7276419620 [0,1,0,0,0,0|3,0,0]=4 168 B15R1.1321 COC(=O)C(C)CNCC1=CC=CN=C1 MCULE-8259614290 [0,1,0,0,0,0|3,0,0]=4 169 B15R1.1321 COC(=O)C(C)CNCC1=CC=NC=C1 MCULE-5586626041 [0,1,0,0,0,0|3,0,0]=4 170 B15R1.1321 COC(=O)C(N)COCC1=CC=CC=C1 MCULE-5247236366 [0,1,0,0,0,0|0,1,0]=2 171 B15R1.1321 COC(=O)C(N)COCC1=CC=CC=C1 MCULE-6511697637 [0,1,0,0,0,0|0,1,0]=2 172 B15R1.1321 COC(=O)C(N)CSCC1=CC=CC=C1 MCULE-4248586181 [0,1,0,0,0,0|0,0,0]=1 173 B15R1.1321 COC(=O)C(N)CSCC1=CC=CC=C1 MCULE-5940515147 [0,1,0,0,0,0|0,0,0]=1 174 B15R1.1321 COC(=O)C(O)CCCC1=CC=CC=C1 MCULE-5111601932 [0,1,0,0,0,0|2,0,0]=3 175 B15R1.1321 COC(=O)C(O)COCC1=CC=CC=C1 MCULE-4762655333 [0,1,0,0,0,0|1,1,0]=3 176 B15R1.1321 COC(=O)[C@@H](Br)COCC1=CC=CC=C1 MCULE-2002977580 [0,1,0,0,0,0|1,1,0]=3 177 B15R1.1321 COC(=O)[C@@H](C)COCC1=CC=CC=C1 MCULE-4127495814 [0,1,0,0,0,0|1,1,0]=3 178 B15R1.1321 COC(=O)[C@@H](N)COCC1=CC=CC=C1 MCULE-2043512480 [0,1,0,0,0,0|0,1,0]=2 179 B15R1.1321 COC(=O)[C@@H](N)COCC1=CC=CC=C1 MCULE-3442140824 [0,1,0,0,0,0|0,1,0]=2 180 B15R1.1321 COC(=O)[C@@H](N)COCC1=CC=CC=C1 MCULE-4029571460 [0,1,0,0,0,0|0,1,0]=2 181 B15R1.1321 COC(=O)[C@@H](N)COCC1=CC=CC=C1 MCULE-7889010056 [0,1,0,0,0,0|0,1,0]=2 182 B15R1.1321 COC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-1542251584 [0,1,0,0,0,0|0,0,0]=1 183 B15R1.1321 COC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-2035562268 [0,1,0,0,0,0|0,0,0]=1 184 B15R1.1321 COC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-4957062022 [0,1,0,0,0,0|0,0,0]=1 185 B15R1.1321 COC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-9568373618 [0,1,0,0,0,0|0,0,0]=1 186 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 MCULE-4528667529 [0,1,0,0,0,0|1,1,0]=3 187 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 MCULE-5737852454 [0,1,0,0,0,0|1,1,0]=3 188 B15R1.1321 COC(=O)[C@H](Br)COCC1=CC=CC=C1 MCULE-4518644949 [0,1,0,0,0,0|1,1,0]=3 189 B15R1.3675 CC(NC(=O)CC1=CC=CC=C1)C(=O)O MCULE-4610989080 [0,1,0,0,0,0|3,0,0]=4 190 B15R1.3675 CN(CC1=CC=CC=C1)CC(N)C(=O)O MCULE-5472304101 [0,1,0,0,0,0|1,0,0]=2 191 B15R1.3675 NC(CC(=O)NC1=CC=CC=C1)C(=O)O MCULE-8452866573 [0,1,0,0,0,0|2,0,0]=3 192 B15R1.3675 N[C@@H](CS(=O)CC1=CC=CC=C1)C(=O)O MCULE-3496327818 [0,1,0,0,0,0|0,0,1]=2 193 B15R1.3678 CC(OCC1=CC=CC=C1)C(N)C(=O)N MCULE-1628997157 [0,1,0,0,0,0|1,1,0]=3 194 B15R1.3678 CC(OCC1=CC=CC=C1)C(N)C(=O)N MCULE-3093917842 [0,1,0,0,0,0|1,1,0]=3 195 B15R1.3678 CC(OCC1=CC=CC=C1)C(N)C(=O)O MCULE-3834699103 [0,1,0,0,0,0|0,1,0]=2 196 B15R1.3678 CC(OCC1=CC=CC=C1)C(N)C(=O)O MCULE-7487523267 [0,1,0,0,0,0|0,1,0]=2 197 B15R1.3678 C[C@@H](OCC1=CC=CC=C1)[C@H](N)C(=O)O MCULE-4007660588 [0,1,0,0,0,0|0,1,0]=2 198 B15R1.3678 C[C@@H](OCC1=CC=CC=C1)[C@H](N)C(=O)O MCULE-5269351144 [0,1,0,0,0,0|0,1,0]=2 199 B15R1.3678 C[C@@H](OCC1=CC=CC=C1)[C@H](N)C(=O)O MCULE-6142466330 [0,1,0,0,0,0|0,1,0]=2 200 B15R1.3678 C[C@@H](OCC1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8236774928 [0,1,0,0,0,0|0,1,0]=2 201 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)N MCULE-4199966857 [0,1,0,0,0,0|1,1,0]=3 202 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)N MCULE-5550064068 [0,1,0,0,0,0|1,1,0]=3 203 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)N MCULE-8513227586 [0,1,0,0,0,0|1,1,0]=3 204 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)N MCULE-9735458876 [0,1,0,0,0,0|1,1,0]=3 205 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-1456534234 [0,1,0,0,0,0|0,1,0]=2 206 B15R1.3678 C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-9749993612 [0,1,0,0,0,0|0,1,0]=2 207 B15R1.3678 NC(C(=O)O)C(S)CCC1=CC=NC=C1 MCULE-4306536104 [0,1,0,0,0,0|2,0,0]=3 208 B15R1.3678 O=C(O)C(F)C(=O)NCC1=CC=CC=C1 MCULE-4805828851 [0,1,0,0,0,0|2,0,1]=4 209 B15R1.9012 CC(=O)C(C)(C)COCC1=CC=CC=C1 MCULE-2656760296 [0,1,0,0,0,0|2,1,0]=4 210 B15R1.9012 CC(C)(CCCC1=CC=CC=C1)C(=O)O MCULE-1413332278 [0,1,0,0,0,0|2,0,0]=3 211 B15R1.9012 CC(C)(COCC1=CC=CC=C1)C(=O)Cl MCULE-7998743281 [0,1,0,0,0,0|2,1,0]=4 212 B15R1.9012 CC(C)(COCC1=CC=CC=C1)C(=O)O MCULE-4345151518 [0,1,0,0,0,0|1,1,0]=3 213 B15R2.59 NC(=O)C1CNC(C1)C2=CC=CC=C2 MCULE-6124122946 [0,0,0,1,0,0|3,0,0]=4 214 B15R2.59 O=C(O)C1CC(CN1)C2=CC=CC=C2 MCULE-3453710897 [0,0,0,1,0,0|3,0,0]=4 215 B15R2.59 O=C(O)C1CC(CN1)C2=CC=CC=C2 MCULE-5422160743 [0,0,0,1,0,0|3,0,0]=4 216 B15R2.59 O=C(O)C1CC(CO1)C2=CC=CC=C2 MCULE-7500025927 [0,0,0,1,0,0|3,0,0]=4 217 B15R2.59 O=C(O)C1CCC(C1)C2=CC=CC=C2 MCULE-8769915650 [0,0,0,1,0,0|2,0,0]=3 218 B15R2.59 O=C(O)C1CCC(N1)C2=CC=CC=C2 MCULE-8078308994 [0,0,0,1,0,0|1,0,0]=2 219 B15R2.59 O=C(O)C1CCC(N1)C2=CN=CC=C2 MCULE-6639273844 [0,0,0,1,0,0|2,0,0]=3 220 B15R2.59 O=C(O)C1CCC(N1)C2=NC=CC=C2 MCULE-7633210365 [0,0,0,1,0,0|2,0,0]=3 221 B15R2.59 O=C(O)C1CCN(C1)C2=CC=CC=C2 MCULE-8270062059 [0,0,0,1,0,0|3,0,0]=4 222 B15R2.59 O=C(O)C1CNC(=N1)C2=CC=CC=C2 MCULE-4120006467 [0,0,0,1,0,0|1,0,2]=4 223 B15R2.59 O=C(O)C1CNC(C1)C2=CC=CC=C2 MCULE-6514436527 [0,0,0,1,0,0|2,0,0]=3 224 B15R2.59 O=C(O)C1CNC(C1)C2=CC=CC=C2 MCULE-8803262365 [0,0,0,1,0,0|2,0,0]=3 225 B15R2.59 O=C(O)C1CNC(S1)C2=CC=CC=C2 MCULE-3520699244 [0,0,0,1,0,0|2,0,0]=3 226 B15R2.59 O=C(O)C1CSC(=N1)C2=CC=CC=C2 MCULE-4936558247 [0,0,0,1,0,0|0,0,2]=3 227 B15R2.59 O=C(O)C1CSC(=N1)C2=CC=CN=C2 MCULE-1597764237 [0,0,0,1,0,0|1,0,2]=4 228 B15R2.59 O=C(O)C1CSC(=N1)C2=CC=NC=C2 MCULE-4366536755 [0,0,0,1,0,0|1,0,2]=4 229 B15R2.59 O=C(O)C1CSC(N1)C2=CC=CC=C2 MCULE-6130180996 [0,0,0,1,0,0|0,0,0]=1 230 B15R2.59 O=C(O)C1CSC(N1)C2=CC=CN=C2 MCULE-9640310303 [0,0,0,1,0,0|1,0,0]=2 231 B15R2.59 O=C(O)C1CSC(N1)C2=CC=NC=C2 MCULE-5314870912 [0,0,0,1,0,0|1,0,0]=2 232 B15R2.59 O=C(O)C1CSC(N1)C2=NC=CC=C2 MCULE-4921906721 [0,0,0,1,0,0|1,0,0]=2 233 B15R2.59 O=C(O)[C@@H]1CCC(N1)C2=CC=CN=C2 MCULE-4561647710 [0,0,0,1,0,0|2,0,0]=3 234 B15R2.59 O=C(O)[C@@H]1CC[C@@H](N1)C2=CC=CC=C2 MCULE-6918172915 [0,0,0,1,0,0|1,0,0]=2 235 B15R2.59 O=C(O)[C@@H]1CC[C@@H](O1)C2=CC=CC=C2 MCULE-3297020572 [0,0,0,1,0,0|2,0,0]=3 236 B15R2.59 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-3727595284 [0,0,0,1,0,0|1,0,0]=2 237 B15R2.59 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-4900539846 [0,0,0,1,0,0|1,0,0]=2 238 B15R2.59 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-7521603716 [0,0,0,1,0,0|1,0,0]=2 239 B15R2.59 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-9778305639 [0,0,0,1,0,0|1,0,0]=2 240 B15R2.59 O=C(O)[C@@H]1CSC(=N1)C2=CC=CC=C2 MCULE-8668011866 [0,0,0,1,0,0|0,0,2]=3 241 B15R2.59 O=C(O)[C@@H]1CSC(N1)C2=CC=CC=C2 MCULE-1020722901 [0,0,0,1,0,0|0,0,0]=1 242 B15R2.59 O=C(O)[C@@H]1CSC(N1)C2=CC=CC=C2 MCULE-8493569161 [0,0,0,1,0,0|0,0,0]=1 243 B15R2.59 O=C(O)[C@@H]1CSC(N1)C2=CC=NC=C2 MCULE-1052711542 [0,0,0,1,0,0|1,0,0]=2 244 B15R2.59 O=C(O)[C@@H]1CSC(N1)C2=CN=CC=C2 MCULE-5584691220 [0,0,0,1,0,0|1,0,0]=2 245 B15R2.59 O=C(O)[C@@H]1CSC(N1)C2=NC=CC=C2 MCULE-4303711298 [0,0,0,1,0,0|1,0,0]=2 246 B15R2.59 O=C(O)[C@@H]1CSC(N1)C2=NC=CC=C2 MCULE-6742099859 [0,0,0,1,0,0|1,0,0]=2 247 B15R2.59 O=C(O)[C@@H]1CS[C@@H](N1)C2=CN=CC=C2 MCULE-4646136583 [0,0,0,1,0,0|1,0,0]=2 248 B15R2.59 O=C(O)[C@@H]1CS[C@H](N1)C2=CC=CC=C2 MCULE-6545925656 [0,0,0,1,0,0|0,0,0]=1 249 B15R2.59 O=C(O)[C@@H]1C[C@@H](CN1)C2=CC=CC=C2 MCULE-2647912046 [0,0,0,1,0,0|3,0,0]=4 250 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-5551904396 [0,0,0,1,0,0|3,0,0]=4 251 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-5884523157 [0,0,0,1,0,0|3,0,0]=4 252 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-6862402655 [0,0,0,1,0,0|3,0,0]=4 253 B15R2.59 O=C(O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-9874544463 [0,0,0,1,0,0|3,0,0]=4 254 B15R2.59 O=C(O)[C@H]1CSC(=N1)C2=CC=CC=C2 MCULE-5945111952 [0,0,0,1,0,0|0,0,2]=3 255 B15R2.59 O=C(O)[C@H]1C[C@H](CN1)C2=CC=CC=C2 MCULE-9584247807 [0,0,0,1,0,0|3,0,0]=4 256 B15R2.59 [C@@H]1(CSC(N1)C2=CC=CC=C2)C(=O)O MCULE-7316979874 [0,0,0,1,0,0|0,0,0]=1 257 B15R2.59 [C@H]1(CS[C@@H](N1)C2=CC=CC=C2)C(=O)O MCULE-4888969828 [0,0,0,1,0,0|0,0,0]=1 258 B15R2.59 [C@H]1(C[C@@H](CN1)C2=CC=CC=C2)C(=O)O MCULE-3974212859 [0,0,0,1,0,0|3,0,0]=4 259 B15R2.314 CC1CN(CC1=O)CC2=CC=CC=C2 MCULE-3969186119 [0,0,0,1,0,0|3,0,0]=4 260 B15R2.314 CC1CN(CC1=O)CC2=CC=CC=C2 MCULE-9163023112 [0,0,0,1,0,0|3,0,0]=4 261 B15R2.342 O=C1CCC1COCC2=CC=CC=C2 MCULE-4706736057 [0,0,0,1,0,0|2,1,0]=4 262 B15R2.1220 O=C(O)C1CC1COC2=CC=CC=C2 MCULE-4693053543 [0,0,0,1,0,0|3,0,0]=4 263 B15R2.1237 NC(=O)C1CCCC2=CC=CC=C2N1 MCULE-7807292808 [0,0,0,1,0,0|2,0,0]=3 264 B15R2.1237 O=C(O)C1CC2=C(C=CC=C2)CCN1 MCULE-4916810268 [0,0,0,1,0,0|3,0,0]=4 265 B15R2.1237 O=C(O)C1CC2=C(C=CC=C2)CCN1 MCULE-9946579383 [0,0,0,1,0,0|3,0,0]=4 266 B15R2.1237 O=C(O)C1CCCC2=C(N1)C=CC=C2 MCULE-7832102592 [0,0,0,1,0,0|1,0,0]=2 267 B15R2.1237 O=C(O)C1CCOC2=C(O1)C=CC=C2 MCULE-5926084423 [0,0,0,1,0,0|3,0,0]=4 268 B15R2.1244 O=C(O)C1CC(C1)OC2=CC=CC=C2 MCULE-7821598786 [0,0,0,1,0,0|3,0,0]=4 269 B15R2.1244 O=C(O)C1CN(C1)CC2=CC=CC=C2 MCULE-7706206136 [0,0,0,1,0,0|2,0,0]=3 270 B15R2.1244 O=C(O)C1CN(C1)CC2=NC=CC=C2 MCULE-8155627351 [0,0,0,1,0,0|3,0,0]=4 271 B15R2.1255 CC(C(=O)O)N1CCC2=CC=CC=C12 MCULE-2098799734 [0,0,0,1,0,0|3,0,0]=4 272 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-3418323043 [0,0,0,1,0,0|2,0,1]=4 273 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 MCULE-4920469862 [0,0,0,1,0,0|1,0,0]=2 274 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2652998695 [0,0,0,1,0,0|2,0,1]=4 275 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C12 MCULE-9368537487 [0,0,0,1,0,0|2,0,1]=4 276 B15R2.4232 NC(C(=O)O)C1CC1C2=CC=CC=C2 MCULE-3983912298 [0,0,0,1,0,0|1,0,0]=2 277 B15R2.16364 CC1(CCCC2=C1C=CC=C2)C(=O)O MCULE-5534404492 [0,0,0,1,0,0|2,0,0]=3 278 B15R2.16364 CC1(CCOC2=C1C=CC=C2)C(=O)O MCULE-8121014888 [0,0,0,1,0,0|3,0,0]=4 279 B15R2.16364 CC1(OCCC2=C1C=CC=C2)C(=O)O MCULE-2609392198 [0,0,0,1,0,0|3,0,0]=4 280 B15R2.16364 NC(=O)C1(CCOC2=C1C=CC=C2)N MCULE-9831971239 [0,0,0,1,0,0|3,0,0]=4 281 B15R2.16364 NC1(CCCC2=CC=CC=C12)C(=O)O MCULE-5594360950 [0,0,0,1,0,0|1,0,0]=2 282 B15R2.16364 NC1(CCCC2=CC=CC=C12)C(=O)O MCULE-6066409828 [0,0,0,1,0,0|1,0,0]=2 283 B15R2.16364 NC1(CCOC2=C1C=CC=C2)C(=O)O MCULE-4280794920 [0,0,0,1,0,0|2,0,0]=3 284 B15R2.16364 O=C(O)C1(CCCC2=C1C=CC=N2)O MCULE-1058674962 [0,0,0,1,0,0|3,0,0]=4 285 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 MCULE-9693356446 [0,0,0,0,1,0|2,1,0]=4 286 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O MCULE-7379407319 [0,0,0,0,1,0|1,0,0]=2 287 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O MCULE-9503504513 [0,0,0,0,1,0|1,1,0]=3 288 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O MCULE-5686565762 [0,0,0,0,1,0|1,0,0]=2 289 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O MCULE-8047591178 [0,0,0,0,1,0|2,0,0]=3 290 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O MCULE-9112844841 [0,0,0,0,1,0|2,0,0]=3 291 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O MCULE-3524985301 [0,0,0,0,1,0|3,0,0]=4 292 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O MCULE-4281699262 [0,0,0,0,1,0|3,0,0]=4 293 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O MCULE-2277977761 [0,0,0,0,1,0|3,0,0]=4 294 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N MCULE-7966028230 [0,0,0,0,1,0|2,1,0]=4 295 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O MCULE-7789298081 [0,0,0,0,1,0|1,1,0]=3 296 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O MCULE-8485315352 [0,0,0,0,1,0|1,1,0]=3 297 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O MCULE-5446888299 [0,0,0,0,1,0|2,1,0]=4 298 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O MCULE-9564089350 [0,0,0,0,1,0|2,1,0]=4 299 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O MCULE-3001042921 [0,0,0,0,1,0|1,0,0]=2 300 B13R1.351 CN(CCC1=CC=CC=C1)C(=O)Cl MCULE-6977695659 [0,0,0,0,1,0|3,0,0]=4 301 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)Cl MCULE-2660411578 [0,0,0,0,1,0|2,1,0]=4 302 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)Cl MCULE-9418691503 [0,0,0,0,1,0|2,1,0]=4 303 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O MCULE-4434459617 [0,0,0,0,1,0|1,1,0]=3 304 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O MCULE-7168308206 [0,0,0,0,1,0|1,1,0]=3 305 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O MCULE-6038689952 [0,0,0,0,1,0|2,0,0]=3 306 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O MCULE-8390998499 [0,0,0,0,1,0|2,0,0]=3 307 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O MCULE-9525640847 [0,0,0,0,1,0|2,0,0]=3 308 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O MCULE-7749356438 [0,0,0,0,1,0|1,1,0]=3 309 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O MCULE-8451141700 [0,0,0,0,1,0|1,1,0]=3 310 B13R1.351 NC(=O)C(N)CCC1=CC=CC=C1 MCULE-9732082867 [0,0,0,0,1,0|1,0,0]=2 311 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-5846714028 [0,0,0,0,1,0|0,0,0]=1 312 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6298102909 [0,0,0,0,1,0|0,0,0]=1 313 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MCULE-6801867186 [0,0,0,0,1,0|0,0,0]=1 314 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O MCULE-3457547807 [0,0,0,0,1,0|1,0,0]=2 315 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O MCULE-8849197069 [0,0,0,0,1,0|1,0,0]=2 316 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O MCULE-3830291208 [0,0,0,0,1,0|1,0,0]=2 317 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O MCULE-7407312060 [0,0,0,0,1,0|1,0,0]=2 318 B13R1.351 NC(CNC1=CC=CC=C1)C(=O)O MCULE-6123987164 [0,0,0,0,1,0|1,0,0]=2 319 B13R1.351 NC(COC1=CC=CC=C1)C(=O)O MCULE-1983365366 [0,0,0,0,1,0|0,1,0]=2 320 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O MCULE-1203820662 [0,0,0,0,1,0|0,0,0]=1 321 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O MCULE-9787337080 [0,0,0,0,1,0|0,0,0]=1 322 B13R1.351 NC(CSC1=CC=NC=C1)C(=O)O MCULE-7653730988 [0,0,0,0,1,0|1,0,0]=2 323 B13R1.351 N[C@@H](/C=C/C1=CC=CC=C1)C(=O)O MCULE-2838025018 [0,0,0,0,1,0|0,0,2]=3 324 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-4559879821 [0,0,0,0,1,0|0,0,0]=1 325 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6703664755 [0,0,0,0,1,0|0,0,0]=1 326 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-6919063042 [0,0,0,0,1,0|0,0,0]=1 327 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O MCULE-8742414639 [0,0,0,0,1,0|0,0,0]=1 328 B13R1.351 N[C@@H](CNC1=CC=CC=C1)C(=O)O MCULE-8235847783 [0,0,0,0,1,0|1,0,0]=2 329 B13R1.351 N[C@@H](COC1=CC=CC=C1)C(=O)O MCULE-3653516384 [0,0,0,0,1,0|0,1,0]=2 330 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O MCULE-3064974464 [0,0,0,0,1,0|0,0,0]=1 331 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O MCULE-7600953452 [0,0,0,0,1,0|0,0,0]=1 332 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O MCULE-2645239845 [0,0,0,0,1,0|0,1,0]=2 333 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O MCULE-2650735200 [0,0,0,0,1,0|0,1,0]=2 334 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-4182463122 [0,0,0,0,1,0|0,0,0]=1 335 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-5087054270 [0,0,0,0,1,0|0,0,0]=1 336 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7679113471 [0,0,0,0,1,0|0,0,0]=1 337 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O MCULE-7791619414 [0,0,0,0,1,0|0,0,0]=1 338 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O MCULE-1181768450 [0,0,0,0,1,0|0,1,0]=2 339 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O MCULE-2658156823 [0,0,0,0,1,0|0,1,0]=2 340 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O MCULE-7999236192 [0,0,0,0,1,0|0,0,0]=1 341 B13R1.351 O=C(Cl)C(=O)CCC1=CC=CC=C1 MCULE-8520253494 [0,0,0,0,1,0|2,0,1]=4 342 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 MCULE-5355166420 [0,0,0,0,1,0|1,0,1]=3 343 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=C1 MCULE-8728202129 [0,0,0,0,1,0|2,0,1]=4 344 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 MCULE-5292402211 [0,0,0,0,1,0|1,0,0]=2 345 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-4257585560 [0,0,0,0,1,0|1,0,0]=2 346 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 MCULE-5664756838 [0,0,0,0,1,0|1,0,0]=2 347 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-5061224318 [0,0,0,0,1,0|1,0,0]=2 348 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 MCULE-8347273271 [0,0,0,0,1,0|1,0,0]=2 349 B13R1.351 O=C(O)[C@H](O)C=CC1=CC=CC=C1 MCULE-3091019107 [0,0,0,0,1,0|1,0,2]=4 350 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-2268613096 [0,0,0,0,1,0|1,0,0]=2 351 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 MCULE-9835086512 [0,0,0,0,1,0|1,0,0]=2 352 B15R1.3664 CC(CCCCC1=CC=CC=C1)C(=O)O MCULE-4687656235 [0,0,0,0,0,1|2,0,0]=3 353 B15R1.3664 CC(NCC=CC1=CC=CC=C1)C(=O)O MCULE-3353401353 [0,0,0,0,0,1|2,0,1]=4 354 B15R1.3664 CC(NCC=CC1=CC=CC=C1)C(=O)O MCULE-9805651157 [0,0,0,0,0,1|2,0,1]=4 355 B15R1.3664 NC(CCOCC1=CC=CC=C1)C(=O)O MCULE-7591289840 [0,0,0,0,0,1|0,1,0]=2 356 B15R1.3664 NC(CSCCC1=CC=CC=C1)C(=O)O MCULE-8354917973 [0,0,0,0,0,1|0,0,0]=1 357 B15R1.3664 NC(CSCCC1=CC=NC=C1)C(=O)O MCULE-5900980716 [0,0,0,0,0,1|1,0,0]=2 358 B15R1.3664 NC(CSCCC1=NC=CC=C1)C(=O)O MCULE-9360254542 [0,0,0,0,0,1|1,0,0]=2 359 B15R1.3664 N[C@@H](CCCCC1=CC=CC=C1)C(=O)O MCULE-3310541657 [0,0,0,0,0,1|1,0,0]=2 360 B15R1.3664 N[C@@H](CCOCC1=CC=CC=C1)C(=O)O MCULE-1203472723 [0,0,0,0,0,1|0,1,0]=2 361 B15R1.3664 N[C@@H](CCOCC1=CC=CC=C1)C(=O)O MCULE-8235770160 [0,0,0,0,0,1|0,1,0]=2 362 B15R1.3664 N[C@@H](CCSCC1=CC=CC=C1)C(=O)O MCULE-9140009895 [0,0,0,0,0,1|0,0,0]=1 363 B15R1.3664 N[C@@H](CSCCC1=CC=NC=C1)C(=O)O MCULE-8861410843 [0,0,0,0,0,1|1,0,0]=2 364 B15R1.3664 N[C@H](CCCCC1=CC=CC=C1)C(=O)O MCULE-2395501189 [0,0,0,0,0,1|1,0,0]=2 365 B15R1.3664 N[C@H](CCCCC1=CC=CC=C1)C(=O)O MCULE-8813639278 [0,0,0,0,0,1|1,0,0]=2 366 B15R1.3664 N[C@H](CCOCC1=CC=CC=C1)C(=O)O MCULE-7040824062 [0,0,0,0,0,1|0,1,0]=2 367 B15R1.3664 O=C(O)C(=O)NCCCC1=CC=CC=C1 MCULE-1389434407 [0,0,0,0,0,1|2,0,1]=4 368 B15R1.3664 [C@H](N)(CSCCC1=CC=NC=C1)C(=O)O MCULE-5512715869 [0,0,0,0,0,1|1,0,0]=2 369 B15R1.9084 CC(=O)CC(C)COCC1=CC=CC=C1 MCULE-5182441459 [0,0,0,0,0,1|2,1,0]=4 370 B15R1.9084 CC(COCC1=CC=CC=C1)CC(=O)O MCULE-5531235538 [0,0,0,0,0,1|1,1,0]=3 371 B15R1.9084 NC(CC=CC1=CC=CC=C1)CC(=O)O MCULE-8227228320 [0,0,0,0,0,1|1,0,1]=3 372 B15R1.9084 NC(CC=CC1=CC=CC=C1)CC(=O)O MCULE-9803849104 [0,0,0,0,0,1|1,0,1]=3 373 B15R1.9084 N[C@@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-7365297082 [0,0,0,0,0,1|1,0,1]=3 374 B15R1.9084 N[C@@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-8184392231 [0,0,0,0,0,1|1,0,1]=3 375 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-1965705626 [0,0,0,0,0,1|1,0,1]=3 376 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-2926088698 [0,0,0,0,0,1|1,0,1]=3 377 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-3622423777 [0,0,0,0,0,1|1,0,1]=3 378 B15R1.9084 N[C@H](CC=CC1=CC=CC=C1)CC(=O)O MCULE-4869207977 [0,0,0,0,0,1|1,0,1]=3 379 B15R1.9084 O=C(O)CC(=O)COCC1=CC=CC=C1 MCULE-1279414691 [0,0,0,0,0,1|1,1,1]=4 380 B15R1.9084 O=C(O)CC(O)COCC1=CC=CC=C1 MCULE-3142151617 [0,0,0,0,0,1|1,1,0]=3 381 B12R1.8 BrCCCSCC1=CC=CC=C1 MCULE-2608942714 [2,0,0,0,0,0|1,0,1]=4 382 B12R1.8 C=CCCCCC1=CC=CC=C1 MCULE-5742507683 [2,0,0,0,0,0|2,0,0]=4 383 B12R1.8 C=CCCNCC1=CC=CC=C1 MCULE-6303257398 [2,0,0,0,0,0|2,0,0]=4 384 B12R1.8 C=CCCOCC1=CC=CC=C1 MCULE-4402428403 [2,0,0,0,0,0|1,1,0]=4 385 B12R1.8 C=CCCSCC1=CC=CC=C1 MCULE-9510714059 [2,0,0,0,0,0|1,0,0]=3 386 B12R1.8 N#CCCSCC1=CC=CC=C1 MCULE-4975528963 [2,0,0,0,0,0|1,0,1]=4 387 B12R1.8 NCCCSCC1=CC=CC=C1 MCULE-1673713041 [2,0,0,0,0,0|1,0,1]=4 388 B12R1.8 O=CCCCCC1=CC=CC=C1 MCULE-3746966374 [2,0,0,0,0,0|1,0,0]=3 389 B12R1.8 O=CCCCOC1=CC=CC=C1 MCULE-6021251722 [2,0,0,0,0,0|2,0,0]=4 390 B12R1.8 O=CCCOCC1=CC=CC=C1 MCULE-3765336987 [2,0,0,0,0,0|0,1,0]=3 391 B12R1.8 OCCCCCC1=CC=CC=C1 MCULE-9291934637 [2,0,0,0,0,0|1,0,1]=4 392 B12R1.8 OCCCNCC1=CC=CC=C1 MCULE-2323633803 [2,0,0,0,0,0|1,0,1]=4 393 B12R1.8 OCCCNCC1=CC=CC=C1 MCULE-3934503574 [2,0,0,0,0,0|1,0,1]=4 394 B12R1.8 OCCCOCC1=CC=CC=C1 MCULE-8079526520 [2,0,0,0,0,0|0,1,1]=4 395 B12R1.8 OCCCSCC1=CC=CC=C1 MCULE-8592748723 [2,0,0,0,0,0|0,0,1]=3 396 B12R1.8 ONCCCCC1=CC=CC=C1 MCULE-2550804844 [2,0,0,0,0,0|2,0,0]=4 397 B12R1.8 ONCCCCC1=CC=CC=C1 MCULE-4390440585 [2,0,0,0,0,0|2,0,0]=4 398 B12R1.252 CC(=O)CSCC1=CC=CC=C1 MCULE-4925526123 [2,0,0,0,0,0|1,0,1]=4 399 B12R1.252 CC(N)CCCC1=CC=CC=C1 MCULE-4777597407 [2,0,0,0,0,0|1,0,1]=4 400 B12R1.252 CC(N)COCC1=CC=CC=C1 MCULE-8857896846 [2,0,0,0,0,0|0,1,1]=4 401 B12R1.252 CC(N)CSCC1=CC=CC=C1 MCULE-4230471758 [2,0,0,0,0,0|0,0,1]=3 402 B12R1.252 CC(O)CNCC1=CC=CC=C1 MCULE-1474712042 [2,0,0,0,0,0|2,0,0]=4 403 B12R1.252 CC(O)COCC1=CC=CC=C1 MCULE-4915425239 [2,0,0,0,0,0|1,1,0]=4 404 B12R1.252 C[C@@H](N)COCC1=CC=CC=C1 MCULE-4297246738 [2,0,0,0,0,0|0,1,1]=4 405 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 MCULE-2854453727 [2,0,0,0,0,0|2,0,0]=4 406 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 MCULE-3498599598 [2,0,0,0,0,0|1,1,0]=4 407 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 MCULE-9422203676 [2,0,0,0,0,0|1,1,0]=4 408 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 MCULE-1940065096 [2,0,0,0,0,0|0,1,1]=4 409 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 MCULE-2306437084 [2,0,0,0,0,0|2,0,0]=4 410 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 MCULE-7109663495 [2,0,0,0,0,0|1,1,0]=4 411 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 MCULE-7489065076 [2,0,0,0,0,0|1,1,0]=4 412 B12R1.252 NC(=O)CCCC1=CC=CC=C1 MCULE-1491500210 [2,0,0,0,0,0|1,0,1]=4 413 B12R1.252 NC(=O)CNCC1=CC=CC=C1 MCULE-6930976713 [2,0,0,0,0,0|1,0,1]=4 414 B12R1.252 NC(=O)COCC1=CC=CC=C1 MCULE-2043276412 [2,0,0,0,0,0|0,1,1]=4 415 B12R1.252 NC(=O)CSCC1=CC=CC=C1 MCULE-6240151575 [2,0,0,0,0,0|0,0,1]=3 416 B12R1.252 O=C(O)CSCC1=CC=CC=C1 MCULE-4184308941 [2,0,0,0,0,0|1,0,1]=4 417 B14R1.148 C(=CC1=CC(=CC=C1)Br)CCC(=O)O MCULE-3721093423 [1,1,0,0,0,0|1,0,1]=4 418 B14R1.148 CC1=CC(=CC=C1)CNCCC(=O)O MCULE-1915664198 [1,1,0,0,0,0|1,0,0]=3 419 B14R1.148 CC1=CC(=CC=C1)CNCCC(=O)O MCULE-8345965715 [1,1,0,0,0,0|1,0,0]=3 420 B14R1.148 CC1=CC(=CC=C1)CSCCC(=O)O MCULE-5993461028 [1,1,0,0,0,0|0,0,0]=2 421 B14R1.148 CC1=CC(=CC=C1)OCCCC(=O)O MCULE-6144897351 [1,1,0,0,0,0|2,0,0]=4 422 B14R1.148 O=C(O)CCCCC1=CC(=CC=C1)Br MCULE-2471508944 [1,1,0,0,0,0|1,0,0]=3 423 B14R1.148 O=C(O)CCCCC1=CC(=CC=C1)O MCULE-8849535175 [1,1,0,0,0,0|1,0,0]=3 424 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)Br MCULE-5853489490 [1,1,0,0,0,0|2,0,0]=4 425 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)F MCULE-2644988206 [1,1,0,0,0,0|2,0,0]=4 426 B14R1.148 O=C(O)CCCOC1=CC=CC(=C1)Cl MCULE-7557514331 [1,1,0,0,0,0|2,0,0]=4 427 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)Cl MCULE-1739503326 [1,1,0,0,0,0|1,0,0]=3 428 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)Cl MCULE-2103443995 [1,1,0,0,0,0|1,0,0]=3 429 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)F MCULE-6571893617 [1,1,0,0,0,0|1,0,0]=3 430 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)F MCULE-8492870435 [1,1,0,0,0,0|1,0,0]=3 431 B14R1.148 O=C(O)CCNCC1=CC=CC(=C1)Br MCULE-4367145737 [1,1,0,0,0,0|1,0,0]=3 432 B14R1.148 O=C(O)CCNCC1=CC=CC(=C1)Br MCULE-8114244713 [1,1,0,0,0,0|1,0,0]=3 433 B14R1.148 O=C(O)CCOCC1=CC(=CC=C1)Cl MCULE-2099602687 [1,1,0,0,0,0|0,1,0]=3 434 B14R1.148 O=C(O)CCSCC1=CC(=CC=C1)Cl MCULE-6864561068 [1,1,0,0,0,0|0,0,0]=2 435 B14R1.148 O=C(O)COCCC1=CC(=CC=C1)Br MCULE-4922008788 [1,1,0,0,0,0|2,0,0]=4 436 B14R1.148 O=C(O)COCCC1=CC(=CC=C1)Cl MCULE-6549632190 [1,1,0,0,0,0|2,0,0]=4 437 B14R1.148 O=C(O)COCCC1=CC(=CC=C1)F MCULE-9957185366 [1,1,0,0,0,0|2,0,0]=4 438 B14R1.159 CC1=C(C=CC=C1)CNCCC(=O)O MCULE-1254955317 [1,1,0,0,0,0|1,0,0]=3 439 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)O MCULE-9756126204 [1,1,0,0,0,0|2,0,0]=4 440 B14R1.159 CC1=CC=CC=C1CNCCC(=O)O MCULE-7705335835 [1,1,0,0,0,0|1,0,0]=3 441 B14R1.159 CC1=CC=CC=C1CSCCC(=O)O MCULE-6146369576 [1,1,0,0,0,0|0,0,0]=2 442 B14R1.159 NC(=O)CCNCC1=C(C=CC=C1)Cl MCULE-9869678914 [1,1,0,0,0,0|2,0,0]=4 443 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Br MCULE-3558997820 [1,1,0,0,0,0|2,0,0]=4 444 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl MCULE-1534741120 [1,1,0,0,0,0|2,0,0]=4 445 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)F MCULE-1463694703 [1,1,0,0,0,0|2,0,0]=4 446 B14R1.159 O=C(O)CCCSC1=C(C=CC=C1)Br MCULE-5979553325 [1,1,0,0,0,0|2,0,0]=4 447 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)Cl MCULE-7939651207 [1,1,0,0,0,0|1,0,0]=3 448 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)Cl MCULE-9871996658 [1,1,0,0,0,0|1,0,0]=3 449 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)F MCULE-3305330060 [1,1,0,0,0,0|1,0,0]=3 450 B14R1.159 O=C(O)CCNCC1=CC=CC=C1F MCULE-9410913710 [1,1,0,0,0,0|1,0,0]=3 451 B14R1.159 O=C(O)CCSCC1=C(C=CC=C1)F MCULE-4728423659 [1,1,0,0,0,0|0,0,0]=2 452 B14R1.159 O=C(O)CCSCC1=CC=CC=C1Cl MCULE-7834537893 [1,1,0,0,0,0|0,0,0]=2 453 B14R1.159 O=C(O)COCCC1=C(C=CC=C1)Br MCULE-3351948829 [1,1,0,0,0,0|2,0,0]=4 454 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 MCULE-3355590561 [1,1,0,0,0,0|1,0,1]=4 455 B14R1.420 CC(C=CCC(=O)O)C1=CC=CC=C1 MCULE-3538407133 [1,1,0,0,0,0|1,0,1]=4 456 B14R1.420 CC(CCCC(=O)O)C1=CC=CC=C1 MCULE-7532695944 [1,1,0,0,0,0|1,0,0]=3 457 B14R1.420 CC(COCC(=O)O)C1=CC=CC=C1 MCULE-5048283025 [1,1,0,0,0,0|2,0,0]=4 458 B14R1.420 CC(NCCC(=O)N)C1=CC=CC=C1 MCULE-7418877508 [1,1,0,0,0,0|2,0,0]=4 459 B14R1.420 CC(NCCC(=O)O)C1=CC=CC=C1 MCULE-7791545562 [1,1,0,0,0,0|1,0,0]=3 460 B14R1.420 CC(SCCC(=O)O)C1=CC=CC=C1 MCULE-9108523998 [1,1,0,0,0,0|0,0,0]=2 461 B14R1.420 CN(CCCC(=O)O)C1=CC=CC=C1 MCULE-2847041735 [1,1,0,0,0,0|2,0,0]=4 462 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-2511685381 [1,1,0,0,0,0|1,0,0]=3 463 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-3268292691 [1,1,0,0,0,0|1,0,0]=3 464 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-4083411228 [1,1,0,0,0,0|1,0,0]=3 465 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 MCULE-6742004481 [1,1,0,0,0,0|1,0,0]=3 466 B14R1.420 NC(CCCC(=O)O)C1=NC=CC=C1 MCULE-5518450984 [1,1,0,0,0,0|2,0,0]=4 467 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-1095590446 [1,1,0,0,0,0|1,0,0]=3 468 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-5504214390 [1,1,0,0,0,0|1,0,0]=3 469 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9472436551 [1,1,0,0,0,0|1,0,0]=3 470 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 MCULE-9528661588 [1,1,0,0,0,0|1,0,0]=3 471 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MCULE-1720844080 [1,1,0,0,0,0|1,0,1]=4 472 B14R1.420 O=C(O)CCCC(O)C1=CC=CC=C1 MCULE-9363545821 [1,1,0,0,0,0|1,0,0]=3 473 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 MCULE-7715802662 [1,1,0,0,0,0|1,0,1]=4 474 B14R1.420 O=C([O-])CCCC(O)C1=CC=CC=C1 MCULE-4871864425 [1,1,0,0,0,0|1,0,1]=4 475 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 MCULE-2198447762 [1,1,0,0,0,0|2,0,0]=4 476 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O MCULE-1968549151 [1,1,0,0,0,0|2,0,0]=4 477 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O MCULE-5996302278 [1,1,0,0,0,0|2,0,0]=4 478 B14R1.423 CC(CCC(=O)O)CC1=CC=CC=C1 MCULE-7245556530 [1,1,0,0,0,0|1,0,0]=3 479 B14R1.423 CN(CCC(=O)N)CC1=CC=CC=C1 MCULE-1616689712 [1,1,0,0,0,0|2,0,0]=4 480 B14R1.423 CN(CCC(=O)N)CC1=CC=CC=C1 MCULE-5261027929 [1,1,0,0,0,0|2,0,0]=4 481 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 MCULE-4450060522 [1,1,0,0,0,0|1,0,0]=3 482 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 MCULE-9364852632 [1,1,0,0,0,0|1,0,0]=3 483 B14R1.423 CN(CCC(=O)O)CC1=CC=CN=C1 MCULE-3620418886 [1,1,0,0,0,0|2,0,0]=4 484 B14R1.423 CN(CCC(=O)O)CC1=CC=CN=C1 MCULE-7262560568 [1,1,0,0,0,0|2,0,0]=4 485 B14R1.423 CN(CCC(=O)O)CC1=NC=CC=C1 MCULE-4305037035 [1,1,0,0,0,0|2,0,0]=4 486 B14R1.423 CN(CCC(=O)O)CC1=NC=CC=C1 MCULE-5666487587 [1,1,0,0,0,0|2,0,0]=4 487 B14R1.423 NC(CCC(=O)O)CC1=CC=CC=C1 MCULE-4105572133 [1,1,0,0,0,0|1,0,0]=3 488 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 MCULE-2868922436 [1,1,0,0,0,0|1,0,0]=3 489 B14R1.423 N[C@H](CCC(=O)O)CC1=CC=CC=C1 MCULE-1418973308 [1,1,0,0,0,0|1,0,0]=3 490 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 MCULE-5781367333 [1,1,0,0,0,0|1,0,0]=3 491 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 MCULE-2207328919 [1,1,0,0,0,0|2,0,0]=4 492 B14R1.423 O=C(O)CCC(=O)OC1=CC=CC=C1 MCULE-7164910537 [1,1,0,0,0,0|2,0,0]=4 493 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 MCULE-5745004562 [1,1,0,0,0,0|2,0,0]=4 494 B14R1.423 O=C(O)CSC(=S)CC1=CC=CC=C1 MCULE-5518605495 [1,1,0,0,0,0|2,0,0]=4 495 B14R1.677 CC1=CC=C(C=C1)CCCCC(=O)O MCULE-5505798835 [1,1,0,0,0,0|1,0,0]=3 496 B14R1.677 CC1=CC=C(C=C1)CNCCC(=O)O MCULE-1316015865 [1,1,0,0,0,0|1,0,0]=3 497 B14R1.677 CC1=CC=C(C=C1)CNCCC(=O)O MCULE-5304575155 [1,1,0,0,0,0|1,0,0]=3 498 B14R1.677 CC1=CC=C(C=C1)CSCCC(=O)O MCULE-8229705274 [1,1,0,0,0,0|0,0,0]=2 499 B14R1.677 CC1=CC=C(C=C1)OCCCC(=O)O MCULE-8122841775 [1,1,0,0,0,0|2,0,0]=4 500 B14R1.677 CC1=CC=C(C=C1)SCCCC(=O)O MCULE-4445079115 [1,1,0,0,0,0|2,0,0]=4 501 B14R1.677 CC1=CC=[N+](C=C1)CCCCC(=O)O MCULE-9342064513 [1,1,0,0,0,0|2,0,0]=4 502 B14R1.677 CC1=CC=[N+](C=C1)CCCCC(=O)O MCULE-9482368994 [1,1,0,0,0,0|2,0,0]=4 503 B14R1.677 NC1=CC=C(C=C1)NCCCC(=O)O MCULE-5341934171 [1,1,0,0,0,0|2,0,0]=4 504 B14R1.677 NC1=CC=C(C=C1)OCCCC(=O)O MCULE-8032917013 [1,1,0,0,0,0|2,0,0]=4 505 B14R1.677 O=C(Cl)CCCCC1=CC=C(C=C1)F MCULE-9015949146 [1,1,0,0,0,0|2,0,0]=4 506 B14R1.677 O=C(O)CCC=CC1=CC=C(C=C1)F MCULE-9450681882 [1,1,0,0,0,0|1,0,1]=4 507 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Br MCULE-5795538347 [1,1,0,0,0,0|1,0,0]=3 508 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Cl MCULE-7732755765 [1,1,0,0,0,0|1,0,0]=3 509 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)F MCULE-7597451454 [1,1,0,0,0,0|1,0,0]=3 510 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)I MCULE-8575617498 [1,1,0,0,0,0|1,0,0]=3 511 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)O MCULE-5009178631 [1,1,0,0,0,0|1,0,0]=3 512 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br MCULE-9161164297 [1,1,0,0,0,0|2,0,0]=4 513 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl MCULE-9657014918 [1,1,0,0,0,0|2,0,0]=4 514 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F MCULE-5070746749 [1,1,0,0,0,0|2,0,0]=4 515 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)I MCULE-4714998652 [1,1,0,0,0,0|2,0,0]=4 516 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Br MCULE-4980660863 [1,1,0,0,0,0|2,0,0]=4 517 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Cl MCULE-4942310930 [1,1,0,0,0,0|2,0,0]=4 518 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)F MCULE-2643085919 [1,1,0,0,0,0|2,0,0]=4 519 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Br MCULE-8298038100 [1,1,0,0,0,0|1,0,0]=3 520 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Br MCULE-8784753607 [1,1,0,0,0,0|1,0,0]=3 521 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl MCULE-1115726045 [1,1,0,0,0,0|1,0,0]=3 522 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl MCULE-7266492418 [1,1,0,0,0,0|1,0,0]=3 523 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F MCULE-3024010035 [1,1,0,0,0,0|1,0,0]=3 524 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F MCULE-8067575966 [1,1,0,0,0,0|1,0,0]=3 525 B14R1.677 O=C(O)CCSCC1=CC=C(C=C1)Br MCULE-6476373786 [1,1,0,0,0,0|0,0,0]=2 526 B14R1.677 O=C(O)CCSCC1=CC=C(C=C1)Cl MCULE-4688157536 [1,1,0,0,0,0|0,0,0]=2 527 B14R1.677 O=C(O)CCSCC1=CC=C(C=C1)F MCULE-3109167340 [1,1,0,0,0,0|0,0,0]=2 528 B14R1.677 O=C(O)COCCC1=CC=C(C=C1)Br MCULE-7526368784 [1,1,0,0,0,0|2,0,0]=4 529 B14R1.716 CNC(=O)CCNCC1=CC=CC=C1 MCULE-1835480423 [1,1,0,0,0,0|2,0,0]=4 530 B14R1.716 CNC(=O)CCSCC1=CC=CC=C1 MCULE-4399500228 [1,1,0,0,0,0|1,0,0]=3 531 B14R1.716 COC(=O)CCC=CC1=CC=CC=C1 MCULE-6377209405 [1,1,0,0,0,0|1,0,1]=4 532 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 MCULE-3768861727 [1,1,0,0,0,0|1,0,0]=3 533 B14R1.716 COC(=O)CCCOC1=CC=CC=C1 MCULE-8338072607 [1,1,0,0,0,0|2,0,0]=4 534 B14R1.716 COC(=O)CCCSC1=CC=CC=C1 MCULE-4192716577 [1,1,0,0,0,0|2,0,0]=4 535 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-3104170816 [1,1,0,0,0,0|1,0,0]=3 536 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-5744013357 [1,1,0,0,0,0|1,0,0]=3 537 B14R1.716 COC(=O)CCNCC1=CC=NC=C1 MCULE-1951594374 [1,1,0,0,0,0|2,0,0]=4 538 B14R1.716 COC(=O)CCNCC1=CN=CC=C1 MCULE-6097261852 [1,1,0,0,0,0|2,0,0]=4 539 B14R1.716 COC(=O)CCNCC1=NC=CC=C1 MCULE-9343013756 [1,1,0,0,0,0|2,0,0]=4 540 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 MCULE-4062318692 [1,1,0,0,0,0|0,1,0]=3 541 B14R1.716 COC(=O)CNCCC1=CC=CC=C1 MCULE-9920135429 [1,1,0,0,0,0|2,0,0]=4 542 B14R1.716 N/C(=N\O)/CCNCC1=CC=CC=C1 MCULE-8205140578 [1,1,0,0,0,0|2,0,0]=4 543 B14R1.716 N/C(=N\O)/CCOCC1=CC=CC=C1 MCULE-8518066557 [1,1,0,0,0,0|1,1,0]=4 544 B14R1.716 NNC(=O)CCNCC1=CC=CC=C1 MCULE-1299421557 [1,1,0,0,0,0|2,0,0]=4 545 B14R1.716 NNC(=O)CCOCC1=CC=CC=C1 MCULE-4089490945 [1,1,0,0,0,0|1,1,0]=4 546 B14R1.716 O=C(CBr)CCOCC1=CC=CC=C1 MCULE-6775073128 [1,1,0,0,0,0|1,1,0]=4 547 B14R1.818 CC(CC(=O)O)NCC1=CC=CC=C1 MCULE-3221583987 [1,1,0,0,0,0|1,0,0]=3 548 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O MCULE-1602400546 [1,1,0,0,0,0|1,0,0]=3 549 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O MCULE-6526229546 [1,1,0,0,0,0|2,0,0]=4 550 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O MCULE-7638425892 [1,1,0,0,0,0|2,0,0]=4 551 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O MCULE-6080099538 [1,1,0,0,0,0|1,0,0]=3 552 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O MCULE-7903104140 [1,1,0,0,0,0|1,0,0]=3 553 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O MCULE-4611561804 [1,1,0,0,0,0|1,0,0]=3 554 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O MCULE-4747352122 [1,1,0,0,0,0|1,0,0]=3 555 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O MCULE-5462430392 [1,1,0,0,0,0|1,0,0]=3 556 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O MCULE-5893797488 [1,1,0,0,0,0|1,0,0]=3 557 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O MCULE-2733556016 [1,1,0,0,0,0|1,0,0]=3 558 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O MCULE-4758248845 [1,1,0,0,0,0|1,0,0]=3 559 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O MCULE-4871872550 [1,1,0,0,0,0|1,0,0]=3 560 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O MCULE-5522257156 [1,1,0,0,0,0|1,0,0]=3 561 B14R1.818 O=C(O)CC(=O)CCC1=CC=CC=C1 MCULE-4316444290 [1,1,0,0,0,0|1,0,1]=4 562 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 MCULE-9938778470 [1,1,0,0,0,0|0,1,1]=4 563 B14R1.818 O=C(O)CC(O)CCC1=CC=CC=C1 MCULE-6991688143 [1,1,0,0,0,0|1,0,0]=3 564 B14R1.3331 O=P(O)(O)CCCCC1=CC=CC=C1 MCULE-5047919732 [1,1,0,0,0,0|2,0,0]=4 565 B14R1.13 CC1=CC=C(C=C1)CSC[C@H](N)CO MCULE-7514648139 [1,1,0,0,0,0|0,0,1]=3 566 B14R1.13 CC1=CC=C(C=C1)CSC[C@H](N)CO MCULE-8464797141 [1,1,0,0,0,0|0,0,1]=3 567 B14R1.292 CC(C)(C=O)COCC1=CC=CC=C1 MCULE-5276870101 [1,1,0,0,0,0|1,1,0]=4 568 B14R1.520 COCC(O)CSCC1=CC=CC=C1 MCULE-5218245802 [1,1,0,0,0,0|1,0,1]=4 569 B14R1.756 CC(OCC1=CC=CC=C1)C(N)CO MCULE-7305000816 [1,1,0,0,0,0|0,1,1]=4 570 B14R1.756 C[C@@H](OCC1=CC=CC=C1)[C@H](N)CO MCULE-2293776101 [1,1,0,0,0,0|0,1,1]=4 571 B14R1.756 C[C@@H](OCC1=CC=CC=C1)[C@H](N)CO MCULE-6471800989 [1,1,0,0,0,0|0,1,1]=4 572 B14R1.756 C[C@@H](OCC1=CC=CC=C1)[C@H](N)CO MCULE-9679948639 [1,1,0,0,0,0|0,1,1]=4 573 B14R1.756 C[C@H](OCC1=CC=CC=C1)[C@@H](N)CO MCULE-3834952433 [1,1,0,0,0,0|0,1,1]=4 574 B14R1.161 CC(CCC1=C(C=CC=C1)F)C(=O)O MCULE-3125894288 [0,1,0,0,1,0|1,0,0]=3 575 B14R1.161 CC(NCC1=C(C=CC=C1)Cl)C(=O)O MCULE-2040398850 [0,1,0,0,1,0|2,0,0]=4 576 B14R1.161 CC(NCC1=C(C=CC=C1)Cl)C(=O)O MCULE-3449563000 [0,1,0,0,1,0|2,0,0]=4 577 B14R1.161 CC(NCC1=C(C=CC=C1)O)C(=O)O MCULE-1574210534 [0,1,0,0,1,0|2,0,0]=4 578 B14R1.161 CC(NCC1=CC=CC=C1F)C(=O)O MCULE-2839646721 [0,1,0,0,1,0|2,0,0]=4 579 B14R1.161 CC(NCC1=CC=CC=C1F)C(=O)O MCULE-3170154462 [0,1,0,0,1,0|2,0,0]=4 580 B14R1.161 CC(SCC1=CC=CC=C1Cl)C(=O)O MCULE-1916411763 [0,1,0,0,1,0|1,0,0]=3 581 B14R1.161 CC1=C(C=CC=C1)COC(C)C(=O)O MCULE-8885482777 [0,1,0,0,1,0|1,1,0]=4 582 B14R1.161 CC1=C(C=CC=C1)OCC(O)C(=O)O MCULE-8208271726 [0,1,0,0,1,0|1,1,0]=4 583 B14R1.161 CC1=CC=CC=C1CCC(N)C(=O)O MCULE-3313728333 [0,1,0,0,1,0|0,0,0]=2 584 B14R1.161 CC1=CC=CC=C1CC[C@@H](N)C(=O)O MCULE-8729689255 [0,1,0,0,1,0|0,0,0]=2 585 B14R1.161 CC1=CC=CC=C1CC[C@H](N)C(=O)O MCULE-4824292330 [0,1,0,0,1,0|0,0,0]=2 586 B14R1.161 CC1=CC=CC=C1CNC(C)C(=O)O MCULE-3452857929 [0,1,0,0,1,0|2,0,0]=4 587 B14R1.161 CC1=CC=CC=C1CNC(C)C(=O)O MCULE-7320084915 [0,1,0,0,1,0|2,0,0]=4 588 B14R1.161 CC1=CC=CC=C1SCC(N)C(=O)O MCULE-5388935493 [0,1,0,0,1,0|0,0,0]=2 589 B14R1.161 NC(CCC1=C(C=CC=C1)Cl)C(=O)O MCULE-2778189696 [0,1,0,0,1,0|0,0,0]=2 590 B14R1.161 NC(CCC1=CC=CC=C1O)C(=O)O MCULE-2969125555 [0,1,0,0,1,0|0,0,0]=2 591 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-7011799987 [0,1,0,0,1,0|0,0,0]=2 592 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O MCULE-9761104054 [0,1,0,0,1,0|0,0,0]=2 593 B14R1.161 N[C@@H](CCC1=CC=CC=C1F)C(=O)O MCULE-5338422633 [0,1,0,0,1,0|0,0,0]=2 594 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-9497914225 [0,1,0,0,1,0|1,0,1]=4 595 B14R1.415 CC(CN(C)C1=CC=CC=C1)C(=O)O MCULE-5170572205 [0,1,0,0,1,0|2,0,0]=4 596 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 MCULE-5024809530 [0,1,0,0,1,0|0,0,0]=2 597 B14R1.415 CC(SC(=S)C1=CC=CC=C1)C(=O)O MCULE-1144556210 [0,1,0,0,1,0|1,0,1]=4 598 B14R1.415 CN(CC(N)C(=O)O)C1=CC=CC=C1 MCULE-3052929456 [0,1,0,0,1,0|1,0,0]=3 599 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7684350557 [0,1,0,0,1,0|0,0,1]=3 600 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8675735814 [0,1,0,0,1,0|0,0,1]=3 601 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-3401135195 [0,1,0,0,1,0|0,0,1]=3 602 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-6288791296 [0,1,0,0,1,0|0,0,1]=3 603 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-7943523013 [0,1,0,0,1,0|0,0,1]=3 604 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O MCULE-8818952296 [0,1,0,0,1,0|0,0,1]=3 605 B14R1.415 O=C(CC(O)C(=O)O)C1=CC=CC=C1 MCULE-6836799308 [0,1,0,0,1,0|1,0,1]=4 606 B14R1.425 CC(C(=O)O)N(C)CC1=CC=CC=C1 MCULE-6787739537 [0,1,0,0,1,0|2,0,0]=4 607 B14R1.425 CC(CC1=CC=CC=C1)C(=O)C(=O)O MCULE-6105727532 [0,1,0,0,1,0|1,0,1]=4 608 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 MCULE-1815082411 [0,1,0,0,1,0|2,0,0]=4 609 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 MCULE-6382748270 [0,1,0,0,1,0|2,0,0]=4 610 B14R1.425 C[C@@H](SC1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-3318162564 [0,1,0,0,1,0|0,0,0]=2 611 B14R1.425 C[C@@H](SC1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-5540506013 [0,1,0,0,1,0|0,0,0]=2 612 B14R1.425 C[C@H](SC1=CC=CC=C1)[C@H](N)C(=O)O MCULE-8497540157 [0,1,0,0,1,0|0,0,0]=2 613 B14R1.425 NC(C(=O)O)C(O)CC1=CC=CC=C1 MCULE-5682805417 [0,1,0,0,1,0|0,0,0]=2 614 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O MCULE-2184051151 [0,1,0,0,1,0|1,0,0]=3 615 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O MCULE-7539128955 [0,1,0,0,1,0|1,0,0]=3 616 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-4501526265 [0,1,0,0,1,0|1,0,0]=3 617 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-4514065707 [0,1,0,0,1,0|1,0,0]=3 618 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@H](O)C(=O)O MCULE-6240632786 [0,1,0,0,1,0|1,0,0]=3 619 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@H](O)C(=O)O MCULE-9714289336 [0,1,0,0,1,0|1,0,0]=3 620 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-3774926623 [0,1,0,0,1,0|1,0,0]=3 621 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O MCULE-5128491482 [0,1,0,0,1,0|1,0,0]=3 622 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O MCULE-2654177102 [0,1,0,0,1,0|1,0,0]=3 623 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O MCULE-5509313124 [0,1,0,0,1,0|1,0,0]=3 624 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O MCULE-7182308652 [0,1,0,0,1,0|1,0,0]=3 625 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O MCULE-7309953966 [0,1,0,0,1,0|1,0,0]=3 626 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O MCULE-7741894273 [0,1,0,0,1,0|1,0,0]=3 627 B14R1.679 CC(CCC1=CC=C(C=C1)F)C(=O)O MCULE-7601347469 [0,1,0,0,1,0|1,0,0]=3 628 B14R1.679 CC(CSC1=CC=C(C=C1)Cl)C(=O)O MCULE-3112521304 [0,1,0,0,1,0|1,0,0]=3 629 B14R1.679 CC(CSC1=CC=C(C=C1)F)C(=O)O MCULE-2133274606 [0,1,0,0,1,0|1,0,0]=3 630 B14R1.679 CC(NCC1=CC=C(C=C1)Br)C(=O)O MCULE-2384168801 [0,1,0,0,1,0|2,0,0]=4 631 B14R1.679 CC(NCC1=CC=C(C=C1)Br)C(=O)O MCULE-8448967366 [0,1,0,0,1,0|2,0,0]=4 632 B14R1.679 CC(NCC1=CC=C(C=C1)Cl)C(=O)O MCULE-7840473961 [0,1,0,0,1,0|2,0,0]=4 633 B14R1.679 CC(NCC1=CC=C(C=C1)Cl)C(=O)O MCULE-8055402228 [0,1,0,0,1,0|2,0,0]=4 634 B14R1.679 CC(NCC1=CC=C(C=C1)F)C(=O)O MCULE-4397654115 [0,1,0,0,1,0|2,0,0]=4 635 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O MCULE-9307795119 [0,1,0,0,1,0|1,1,0]=4 636 B14R1.679 CC(SCC1=CC=C(C=C1)Cl)C(=O)O MCULE-5546707192 [0,1,0,0,1,0|1,0,0]=3 637 B14R1.679 CC(SCC1=CC=C(C=C1)F)C(=O)O MCULE-2671725709 [0,1,0,0,1,0|1,0,0]=3 638 B14R1.679 CC1=CC=C(C=C1)CCC(N)C(=O)O MCULE-7593182446 [0,1,0,0,1,0|0,0,0]=2 639 B14R1.679 CC1=CC=C(C=C1)CC[C@@H](N)C(=O)O MCULE-7553433191 [0,1,0,0,1,0|0,0,0]=2 640 B14R1.679 CC1=CC=C(C=C1)CC[C@H](N)C(=O)O MCULE-2577430347 [0,1,0,0,1,0|0,0,0]=2 641 B14R1.679 CC1=CC=C(C=C1)CC[C@H](N)C(=O)O MCULE-9957009794 [0,1,0,0,1,0|0,0,0]=2 642 B14R1.679 CC1=CC=C(C=C1)CNC(C)C(=O)O MCULE-5506818457 [0,1,0,0,1,0|2,0,0]=4 643 B14R1.679 CC1=CC=C(C=C1)CNC(C)C(=O)O MCULE-6661778351 [0,1,0,0,1,0|2,0,0]=4 644 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O MCULE-8717484967 [0,1,0,0,1,0|1,1,0]=4 645 B14R1.679 CC1=CC=C(C=C1)CSC(C)C(=O)O MCULE-8260964496 [0,1,0,0,1,0|1,0,0]=3 646 B14R1.679 C[C@H](NCC1=CC=C(C=C1)Cl)C(=O)O MCULE-7323499288 [0,1,0,0,1,0|2,0,0]=4 647 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O MCULE-5822068495 [0,1,0,0,1,0|0,0,0]=2 648 B14R1.679 NC(CCC1=CC=C(C=C1)Cl)C(=O)O MCULE-3171400958 [0,1,0,0,1,0|0,0,0]=2 649 B14R1.679 NC(CCC1=CC=C(C=C1)F)C(=O)O MCULE-2338285469 [0,1,0,0,1,0|0,0,0]=2 650 B14R1.679 NC(CCC1=CC=C(C=C1)O)C(=O)O MCULE-6451884872 [0,1,0,0,1,0|0,0,0]=2 651 B14R1.679 NC(CCC1=CC=C(C=C1)O)C(=O)O MCULE-9678967324 [0,1,0,0,1,0|0,0,0]=2 652 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O MCULE-2391910456 [0,1,0,0,1,0|0,0,0]=2 653 B14R1.679 NC1C=CC(C=C1)CCC(N)C(=O)O MCULE-8753475299 [0,1,0,0,1,0|0,0,2]=4 654 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)Br)C(=O)O MCULE-9265991531 [0,1,0,0,1,0|0,0,0]=2 655 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)Br)C(=O)O MCULE-9859600565 [0,1,0,0,1,0|0,0,0]=2 656 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)Cl)C(=O)O MCULE-6279196888 [0,1,0,0,1,0|0,0,0]=2 657 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)Cl)C(=O)O MCULE-9257393922 [0,1,0,0,1,0|0,0,0]=2 658 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)F)C(=O)O MCULE-7504967309 [0,1,0,0,1,0|0,0,0]=2 659 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)F)C(=O)O MCULE-7706306422 [0,1,0,0,1,0|0,0,0]=2 660 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-2626477375 [0,1,0,0,1,0|0,0,0]=2 661 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-3675336952 [0,1,0,0,1,0|0,0,0]=2 662 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-5741036033 [0,1,0,0,1,0|0,0,0]=2 663 B14R1.679 N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-8049928811 [0,1,0,0,1,0|0,0,0]=2 664 B14R1.679 N[C@@H](CCC1=CCC(=O)C=C1)C(=O)O MCULE-3740503720 [0,1,0,0,1,0|0,0,1]=3 665 B14R1.679 N[C@@H](CCC1=CCC(=O)C=C1)C(=O)O MCULE-8182393913 [0,1,0,0,1,0|0,0,1]=3 666 B14R1.679 N[C@H](CCC1=CC=C(C=C1)F)C(=O)O MCULE-2837159214 [0,1,0,0,1,0|0,0,0]=2 667 B14R1.679 N[C@H](CCC1=CC=C(C=C1)F)C(=O)O MCULE-3930641365 [0,1,0,0,1,0|0,0,0]=2 668 B14R1.679 N[C@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-1730710037 [0,1,0,0,1,0|0,0,0]=2 669 B14R1.679 N[C@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-3217987468 [0,1,0,0,1,0|0,0,0]=2 670 B14R1.679 N[C@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-5615474996 [0,1,0,0,1,0|0,0,0]=2 671 B14R1.679 N[C@H](CCC1=CC=C(C=C1)O)C(=O)O MCULE-6439403951 [0,1,0,0,1,0|0,0,0]=2 672 B14R1.4194 C(CO)(NCC1=CC=CC=C1)C(=O)O MCULE-2866162446 [0,1,0,0,1,0|2,0,0]=4 673 B14R1.4194 CCC(CCC1=CC=CC=C1)C(=O)O MCULE-8616943510 [0,1,0,0,1,0|1,0,0]=3 674 B14R1.4194 CNC(CSC1=CC=CC=C1)C(=O)O MCULE-4307719226 [0,1,0,0,1,0|0,0,0]=2 675 B14R1.4194 N#CC(CCC1=CC=CC=C1)C(=O)O MCULE-2195005027 [0,1,0,0,1,0|0,0,1]=3 676 B14R1.4194 N#CC(CCC1=CC=CC=C1)C(=O)[O-] MCULE-5055689437 [0,1,0,0,1,0|0,0,2]=4 677 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 MCULE-6575990935 [0,1,0,0,1,0|2,0,0]=4 678 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 MCULE-5638858123 [0,1,0,0,1,0|2,0,0]=4 679 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 MCULE-7032856233 [0,1,0,0,1,0|2,0,0]=4 680 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 MCULE-3201002640 [0,1,0,0,1,0|2,0,0]=4 681 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 MCULE-4809844947 [0,1,0,0,1,0|2,0,0]=4 682 B14R1.5956 CC(CCC1=CC(=CC=C1)F)C(=O)O MCULE-4516807971 [0,1,0,0,1,0|1,0,0]=3 683 B14R1.5956 CC(NCC1=CC(=CC=C1)Br)C(=O)O MCULE-5454373364 [0,1,0,0,1,0|2,0,0]=4 684 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O MCULE-1735006117 [0,1,0,0,1,0|2,0,0]=4 685 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O MCULE-7922331235 [0,1,0,0,1,0|2,0,0]=4 686 B14R1.5956 CC(NCC1=CC=CC(=C1)Br)C(=O)O MCULE-7216536830 [0,1,0,0,1,0|2,0,0]=4 687 B14R1.5956 CC(NCC1=CC=CC(=C1)Cl)C(=O)O MCULE-4817930531 [0,1,0,0,1,0|2,0,0]=4 688 B14R1.5956 CC(NCC1=CC=CC(=C1)Cl)C(=O)O MCULE-5138676404 [0,1,0,0,1,0|2,0,0]=4 689 B14R1.5956 CC(SCC1=CC(=CC=C1)Cl)C(=O)O MCULE-8406156225 [0,1,0,0,1,0|1,0,0]=3 690 B14R1.5956 CC1=CC(=CC=C1)CC[C@@H](N)C(=O)O MCULE-5410717863 [0,1,0,0,1,0|0,0,0]=2 691 B14R1.5956 CC1=CC=CC(=C1)CCC(N)C(=O)O MCULE-5206637988 [0,1,0,0,1,0|0,0,0]=2 692 B14R1.5956 CC1=CC=CC(=C1)COC(C)C(=O)O MCULE-9051832409 [0,1,0,0,1,0|1,1,0]=4 693 B14R1.5956 N[C@@H](CCC1=CC=CC(=C1)Cl)C(=O)O MCULE-4816032976 [0,1,0,0,1,0|0,0,0]=2 694 B14R1.5956 N[C@@H](CCC1=CC=CC(=C1)Cl)C(=O)O MCULE-4887269638 [0,1,0,0,1,0|0,0,0]=2 695 B14R1.5956 N[C@@H](CCC1=CC=CC(=C1)F)C(=O)O MCULE-5393519699 [0,1,0,0,1,0|0,0,0]=2 696 B14R1.5956 N[C@@H](CCC1=CC=CC(=C1)F)C(=O)O MCULE-8400500825 [0,1,0,0,1,0|0,0,0]=2 697 B14R1.5956 N[C@H](CCC1=CC=CC(=C1)Cl)C(=O)O MCULE-4767108809 [0,1,0,0,1,0|0,0,0]=2 698 B14R1.5956 N[C@H](CCC1=CC=CC(=C1)Cl)C(=O)O MCULE-6984904047 [0,1,0,0,1,0|0,0,0]=2 699 B14R1.5956 N[C@H](CCC1=CC=CC(=C1)F)C(=O)O MCULE-3262838072 [0,1,0,0,1,0|0,0,0]=2 700 B14R1.5956 N[C@H](CCC1=CC=CC(=C1)F)C(=O)O MCULE-4621343222 [0,1,0,0,1,0|0,0,0]=2 701 B14R1.6395 CC(C)(OCC1=CC=CC=C1)C(=O)O MCULE-1826056415 [0,1,0,0,1,0|1,1,0]=4 702 B14R1.6395 CC(C)(SCC1=CC=CC=C1)C(=O)O MCULE-7195577197 [0,1,0,0,1,0|1,0,0]=3 703 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O MCULE-1139884729 [0,1,0,0,1,0|0,0,0]=2 704 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O MCULE-3407034063 [0,1,0,0,1,0|0,0,0]=2 705 B14R1.6395 CC(N)(COC1=CC=CC=C1)C(=O)O MCULE-7357259957 [0,1,0,0,1,0|0,1,0]=3 706 B14R1.6395 CC(O)(CCC1=CC=CC=C1)C(=O)O MCULE-4920377619 [0,1,0,0,1,0|1,0,0]=3 707 B14R1.6395 O=C(O)C(F)(F)CCC1=CC=CC=C1 MCULE-4417139878 [0,1,0,0,1,0|1,0,0]=3 708 B16R1.1635 COC(=O)C(C)CNCCC1=CC=CC=C1 MCULE-5650209664 [0,1,0,0,0,1|2,0,0]=4 709 B16R1.1635 COC(=O)C(N)CCCCC1=CC=CC=C1 MCULE-9772506600 [0,1,0,0,0,1|1,0,0]=3 710 B16R1.4122 NC(=O)C(N)CC(=O)OCC1=CC=CC=C1 MCULE-1654754565 [0,1,0,0,0,1|1,1,0]=4 711 B16R1.4122 NC(=O)C(N)CC(=O)OCC1=CC=CC=C1 MCULE-4688292910 [0,1,0,0,0,1|1,1,0]=4 712 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-5756319952 [0,1,0,0,0,1|1,1,0]=4 713 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-6620750908 [0,1,0,0,0,1|1,1,0]=4 714 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-7198183962 [0,1,0,0,0,1|1,1,0]=4 715 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 MCULE-8703872055 [0,1,0,0,0,1|1,1,0]=4 716 B16R1.4122 NC(CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-1957065146 [0,1,0,0,0,1|0,1,0]=3 717 B16R1.4122 NC(CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-9941787198 [0,1,0,0,0,1|0,1,0]=3 718 B16R1.4122 N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-2959850430 [0,1,0,0,0,1|0,1,0]=3 719 B16R1.4122 N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-8559108209 [0,1,0,0,0,1|0,1,0]=3 720 B16R1.4122 N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-2836218355 [0,1,0,0,0,1|0,1,0]=3 721 B16R1.4122 [C@@H](N)(CC(=O)OCC1=CC=CC=C1)C(=O)O MCULE-1974374166 [0,1,0,0,0,1|0,1,0]=3 722 B16R1.4132 NC(CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-4806014342 [0,1,0,0,0,1|1,0,1]=4 723 B16R1.4132 N[C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-4718853827 [0,1,0,0,0,1|1,0,1]=4 724 B16R1.4132 N[C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)O MCULE-8213720069 [0,1,0,0,0,1|1,0,1]=4 725 B16R1.12253 CC(N)(CCSCC1=CC=CC=C1)C(=O)O MCULE-3324878836 [0,1,0,0,0,1|0,0,0]=2 726 B16R1.849 COC(=O)C[C@@H](N)COCC1=CC=CC=C1 MCULE-3058085264 [0,1,0,0,0,1|0,1,0]=3 727 B16R1.849 COC(=O)C[C@@H](N)COCC1=CC=CC=C1 MCULE-3738727113 [0,1,0,0,0,1|0,1,0]=3 728 B16R1.849 COC(=O)C[C@H](N)COCC1=CC=CC=C1 MCULE-5845669654 [0,1,0,0,0,1|0,1,0]=3 729 B16R1.849 COC(=O)C[C@H](N)COCC1=CC=CC=C1 MCULE-6644316781 [0,1,0,0,0,1|0,1,0]=3 730 B16R1.6944 NC(CC(=O)O)C(=O)OCC1=CC=CC=C1 MCULE-1511677891 [0,1,0,0,0,1|0,1,1]=4 731 B16R1.6944 NC(CC(=O)O)C(=O)OCC1=CC=CC=C1 MCULE-7571904364 [0,1,0,0,0,1|0,1,1]=4 732 B16R1.6944 N[C@@H](CC(=O)O)C(=O)OCC1=CC=CC=C1 MCULE-1585393385 [0,1,0,0,0,1|0,1,1]=4 733 B16R1.6944 N[C@H](CC(=O)O)C(=O)OCC1=CC=CC=C1 MCULE-8021338170 [0,1,0,0,0,1|0,1,1]=4 734 B16R1.6944 N[C@H](CC(=O)O)C(=O)OCC1=CC=CC=C1 MCULE-8994263098 [0,1,0,0,0,1|0,1,1]=4 735 B16R1.6944 [C@H](N)(CC(=O)O)C(=O)OCC1=CC=CC=C1 MCULE-1941528545 [0,1,0,0,0,1|0,1,1]=4 736 B16R1.5 COC1=CC=C(C=C1)CCCC(N)C(=O)O MCULE-4466764860 [0,2,0,0,0,0|1,0,0]=3 737 B16R1.5 COC1=CC=C(C=C1)CCC[C@H](N)C(=O)O MCULE-3855540959 [0,2,0,0,0,0|1,0,0]=3 738 B16R1.5 COC1=CC=C(C=C1)CCC[C@H](N)C(=O)O MCULE-7379966978 [0,2,0,0,0,0|1,0,0]=3 739 B16R1.5 COC1=CC=C(C=C1)CSCC(N)C(=O)O MCULE-4873922956 [0,2,0,0,0,0|0,0,0]=2 740 B16R1.5 COC1=CC=C(C=C1)CSC[C@@H](N)C(=O)O MCULE-1226931629 [0,2,0,0,0,0|0,0,0]=2 741 B16R1.5 COC1=CC=C(C=C1)CSC[C@@H](N)C(=O)O MCULE-2495453543 [0,2,0,0,0,0|0,0,0]=2 742 B16R1.5 COC1=CC=C(C=C1)CSC[C@H](N)C(=O)O MCULE-3505700823 [0,2,0,0,0,0|0,0,0]=2 743 B16R1.5 COC1=CC=C(C=C1)CSC[C@H](N)C(=O)O MCULE-9570903438 [0,2,0,0,0,0|0,0,0]=2 744 B16R1.10 COC(=O)C(C)CNCC1=CC=C(C=C1)C MCULE-8258149049 [0,2,0,0,0,0|2,0,0]=4 745 B16R1.10 COC(=O)C(C)CNCC1=CC=C(C=C1)Cl MCULE-9489497938 [0,2,0,0,0,0|2,0,0]=4 746 B16R1.10 COC(=O)C(C)CNCC1=CC=C(C=C1)F MCULE-3905134554 [0,2,0,0,0,0|2,0,0]=4 747 B16R1.1037 NC(CSCC1=CC(=C(C=C1)Cl)Cl)C(=O)O MCULE-9106372333 [0,2,0,0,0,0|0,0,0]=2 748 B16R1.1066 CC1=CC=C(C=C1)NC(=O)CC(N)C(=O)O MCULE-4228648101 [0,2,0,0,0,0|2,0,0]=4 749 B16R1.1066 C[C@@H](C[C@@H](N)CC1=CC=C(C=C1)N)C(=O)O MCULE-9002733736 [0,2,0,0,0,0|2,0,0]=4 750 B16R1.1066 NC(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)O MCULE-6106708211 [0,2,0,0,0,0|2,0,0]=4 751 B16R1.11391 N[C@H](COCC1=C(C=C(C=C1)F)F)C(=O)O MCULE-5023774891 [0,2,0,0,0,0|0,1,0]=3 752 B16R1.42 COC1=CC(=CC=C1)CSCC(N)C(=O)O MCULE-8309497378 [0,2,0,0,0,0|0,0,0]=2 753 B16R1.6945 COC(=O)C(C)CNCC1=C(C=CC=C1)Cl MCULE-9027313641 [0,2,0,0,0,0|2,0,0]=4 754 B16R1.8807 CC(C)(COCC1=CC=CC=C1Cl)C(=O)O MCULE-8625825058 [0,2,0,0,0,0|1,1,0]=4 755 B16R1.8807 CC(C)(COCC1=CC=CC=C1F)C(=O)O MCULE-3464683142 [0,2,0,0,0,0|1,1,0]=4 756 B16R1.11209 N[C@@H](CSCC1=C(C=CC=C1Cl)F)C(=O)O MCULE-2187992522 [0,2,0,0,0,0|0,0,0]=2 757 B16R1.1145 COC(=O)C(C)CNC(C)C1=CC=CC=C1 MCULE-4595212968 [0,2,0,0,0,0|2,0,0]=4 758 B16R1.1145 COC(=O)C(N)CNC(=O)C1=CC=CC=C1 MCULE-6708189631 [0,2,0,0,0,0|1,0,1]=4 759 B16R1.1145 COC(=O)C(N)CNC(=O)C1=CC=CC=C1 MCULE-8498978768 [0,2,0,0,0,0|1,0,1]=4 760 B16R1.1145 COC(=O)[C@@H](N)CNC(=O)C1=CC=CC=C1 MCULE-4657666583 [0,2,0,0,0,0|1,0,1]=4 761 B16R1.1145 COC(=O)[C@@H](N)CNC(=O)C1=CC=CC=C1 MCULE-7384679219 [0,2,0,0,0,0|1,0,1]=4 762 B16R1.1145 COC(=O)[C@@H](N)CNC(=O)C1=CC=CC=C1 MCULE-8215794073 [0,2,0,0,0,0|1,0,1]=4 763 B16R1.1145 COC(=O)[C@@H](N)CNC(=O)C1=CC=CC=C1 MCULE-9666672135 [0,2,0,0,0,0|1,0,1]=4 764 B16R1.4119 N[C@@H](CSS(=O)(=O)C1=CC=CC=C1)C(=O)O MCULE-6639524765 [0,2,0,0,0,0|1,0,0]=3 765 B16R1.14049 CCOC(=O)C(C)CNCC1=CC=CC=C1 MCULE-6606779396 [0,2,0,0,0,0|2,0,0]=4 766 B16R1.14049 CCOC(=O)C(N)CSCC1=CC=CC=C1 MCULE-2820073630 [0,2,0,0,0,0|0,0,0]=2 767 B16R1.14049 CCOC(=O)C(N)CSCC1=CC=CC=C1 MCULE-4491010391 [0,2,0,0,0,0|0,0,0]=2 768 B16R1.14049 CCOC(=O)C(O)CCCC1=CC=CC=C1 MCULE-5165464907 [0,2,0,0,0,0|2,0,0]=4 769 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-2427076026 [0,2,0,0,0,0|0,0,0]=2 770 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-2845794540 [0,2,0,0,0,0|0,0,0]=2 771 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-4390225367 [0,2,0,0,0,0|0,0,0]=2 772 B16R1.14049 CCOC(=O)[C@@H](N)CSCC1=CC=CC=C1 MCULE-5665656828 [0,2,0,0,0,0|0,0,0]=2 773 B16R1.17144 COC(=O)C(C)(C)COCC1=CC=CC=C1 MCULE-8891656245 [0,2,0,0,0,0|1,1,0]=4 774 B16R1.13691 O=CNC(COCC1=CC=CC=C1)C(=O)O MCULE-2038302423 [0,2,0,0,0,0|0,1,0]=3 775 B16R1.13691 O=CN[C@@H](COCC1=CC=CC=C1)C(=O)O MCULE-5857292109 [0,2,0,0,0,0|0,1,0]=3 776 B16R1.30284 CCC(C)(COCC1=CC=CC=C1)C(=O)O MCULE-3680855110 [0,2,0,0,0,0|1,1,0]=4 777 B16R1.57291 CC(O)C(CCCC1=CC=CC=C1)C(=O)O MCULE-9702031602 [0,2,0,0,0,0|2,0,0]=4 778 B16R1.57291 O=C(O)C(CCCC1=CC=CC=C1)C(=O)O MCULE-5360757793 [0,2,0,0,0,0|2,0,0]=4 779 B16R1.4134 C[C@H](C(=O)O)[C@H](O)[C@@H](N)CC1=CC=CC=C1 MCULE-4544522827 [0,2,0,0,0,0|2,0,0]=4 780 B16R1.12264 CN(CC1=CC=CC=C1)CC(C)(C)C(=O)O MCULE-2546746557 [0,2,0,0,0,0|2,0,0]=4 781 B16R1.12264 CN(CC1=CC=CC=C1)CC(C)(C)C(=O)O MCULE-2622627701 [0,2,0,0,0,0|2,0,0]=4 782 B16R1.12264 CN(CC1=CC=CC=C1)CC(F)(F)C(=O)O MCULE-7240443724 [0,2,0,0,0,0|2,0,0]=4 783 B16R1.24450 NC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)O MCULE-6347685070 [0,2,0,0,0,0|0,0,1]=3 784 B16R1.24450 N[C@@H](CS(=O)(=O)CC1=CC=CC=C1)C(=O)O MCULE-9529461843 [0,2,0,0,0,0|0,0,1]=3 785 B16R1.24534 CC(C)(SCC1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-4983426851 [0,2,0,0,0,0|0,0,0]=2 786 B16R1.24534 CC(C)(SCC1=CC=CC=C1)[C@@H](N)C(=O)O MCULE-6109550976 [0,2,0,0,0,0|0,0,0]=2 787 B14R1.75 C=CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-1182092696 [0,0,1,1,0,0|1,0,1]=4 788 B14R1.75 C=CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-5435430119 [0,0,1,1,0,0|1,0,1]=4 789 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-1364530989 [0,0,1,1,0,0|1,0,1]=4 790 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-2509335446 [0,0,1,1,0,0|1,0,1]=4 791 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-2513063999 [0,0,1,1,0,0|1,0,1]=4 792 B14R1.75 C=CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-2661213804 [0,0,1,1,0,0|1,0,1]=4 793 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-1685489170 [0,0,1,1,0,0|1,0,1]=4 794 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2191696012 [0,0,1,1,0,0|1,0,1]=4 795 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5803851476 [0,0,1,1,0,0|1,0,1]=4 796 B14R1.75 C=CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-9690508450 [0,0,1,1,0,0|1,0,1]=4 797 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 MCULE-1961521456 [1,0,0,1,0,0|1,0,0]=3 798 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-4485519781 [1,0,0,1,0,0|2,0,0]=4 799 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 MCULE-9569578698 [1,0,0,1,0,0|2,0,0]=4 800 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 MCULE-2236868857 [1,0,0,1,0,0|2,0,0]=4 801 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 MCULE-2787979324 [1,0,0,1,0,0|2,0,0]=4 802 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 MCULE-5770674919 [1,0,0,1,0,0|2,0,0]=4 803 B14R2.19 O=C1C=C(CC1)CC2=CC=CC=C2 MCULE-1931136059 [1,0,0,1,0,0|2,0,0]=4 804 B14R2.19 O=C1CCC(C1)CC2=CC=CC=C2 MCULE-1167277321 [1,0,0,1,0,0|2,0,0]=4 805 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 MCULE-1717745930 [1,0,0,1,0,0|2,0,0]=4 806 B14R2.19 O=C1CCN(C1)CC2=CC=CC=C2 MCULE-1184917362 [1,0,0,1,0,0|2,0,0]=4 807 B14R2.19 O=C1CCN(C1)CC2=CC=CC=C2 MCULE-4651879716 [1,0,0,1,0,0|2,0,0]=4 808 B14R2.19 O=C1CCN(N1)CC2=CC=CC=C2 MCULE-4279108742 [1,0,0,1,0,0|2,0,0]=4 809 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 MCULE-2850646043 [1,0,0,1,0,0|2,0,0]=4 810 B14R2.21 C1(CCCC(=O)O1)C2=CC=CC=C2 MCULE-1531449406 [1,0,0,1,0,0|1,0,0]=3 811 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 MCULE-2162649629 [1,0,0,1,0,0|2,0,0]=4 812 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 MCULE-1332257352 [1,0,0,1,0,0|2,0,0]=4 813 B14R2.21 O=C1CCC[C@@H](C1)C2=CC=CC=C2 MCULE-3224632068 [1,0,0,1,0,0|2,0,0]=4 814 B14R2.21 O=C1CCC[C@@H](C1)C2=CC=CC=C2 MCULE-7021860180 [1,0,0,1,0,0|2,0,0]=4 815 B14R2.21 O=C1CCC[C@H](C1)C2=CC=CC=C2 MCULE-6980050830 [1,0,0,1,0,0|2,0,0]=4 816 B14R2.21 O=C1CCC[C@H](C1)C2=CC=CC=C2 MCULE-9598372732 [1,0,0,1,0,0|2,0,0]=4 817 B14R2.21 O=C1CCNC(C1)C2=CC=CC=C2 MCULE-7081488482 [1,0,0,1,0,0|2,0,0]=4 818 B14R2.21 O=C1CCNC(C1)C2=CC=CC=C2 MCULE-8279076647 [1,0,0,1,0,0|2,0,0]=4 819 B14R2.21 O=C1CCOC(C1)C2=CC=CC=C2 MCULE-4672649666 [1,0,0,1,0,0|1,1,0]=4 820 B14R2.21 O=C1CNCC(O1)C2=CC=CC=C2 MCULE-5302639609 [1,0,0,1,0,0|2,0,0]=4 821 B14R2.391 O=C1CCCCC2=C(C1)C=CC=C2 MCULE-7066203656 [1,0,0,1,0,0|2,0,0]=4 822 B14R2.436 O=C1CC(C1)OCC2=CC=CC=C2 MCULE-7729629224 [1,0,0,1,0,0|1,1,0]=4 823 B14R2.764 O=C(O)C1CC1CC2=CC=CC=C2 MCULE-6757184576 [1,0,0,1,0,0|1,0,0]=3 824 B14R2.764 O=C([O-])C1CN1CC2=CC=CC=C2 MCULE-7866925257 [1,0,0,1,0,0|1,0,1]=4 825 B14R2.764 O=C([O-])C1CN1CC2=CC=CC=C2 MCULE-9779369893 [1,0,0,1,0,0|1,0,1]=4 826 B14R2.780 O=C(O)C1CCC1C2=CC=CC=C2 MCULE-4978185759 [1,0,0,1,0,0|1,0,0]=3 827 B14R2.780 O=C(O)[C@@H]1CC[C@@H]1C2=CC=CC=C2 MCULE-7223566204 [1,0,0,1,0,0|1,0,0]=3 828 B14R2.780 O=C(O)[C@@H]1CC[C@H]1C2=CC=CC=C2 MCULE-2753377253 [1,0,0,1,0,0|1,0,0]=3 829 B14R2.780 O=C(O)[C@H]1CC[C@H]1C2=CC=CC=C2 MCULE-1581951170 [1,0,0,1,0,0|1,0,0]=3 830 B14R2.31359 O=C(Cl)[C@H]1CCCC2=C1C=CC=C2 MCULE-6285684070 [1,0,0,1,0,0|2,0,0]=4 831 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 MCULE-1195085515 [1,0,0,1,0,0|1,0,0]=3 832 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 MCULE-4769799002 [1,0,0,1,0,0|1,0,0]=3 833 B14R2.31359 O=C(O)C1CCCC2=C1N=CC=C2 MCULE-7976531143 [1,0,0,1,0,0|2,0,0]=4 834 B14R2.31359 O=C(O)C1CCCC2=C1N=CC=C2 MCULE-9143230918 [1,0,0,1,0,0|2,0,0]=4 835 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 MCULE-3938485284 [1,0,0,1,0,0|2,0,0]=4 836 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 MCULE-7841644698 [1,0,0,1,0,0|2,0,0]=4 837 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 MCULE-4830736482 [1,0,0,1,0,0|2,0,0]=4 838 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 MCULE-6805813137 [1,0,0,1,0,0|1,0,0]=3 839 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 MCULE-8216059612 [1,0,0,1,0,0|1,0,0]=3 840 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 MCULE-2194809436 [1,0,0,1,0,0|2,0,0]=4 841 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 MCULE-4809114470 [1,0,0,1,0,0|2,0,0]=4 842 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 MCULE-5205390213 [1,0,0,1,0,0|2,0,0]=4 843 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 MCULE-7761948812 [1,0,0,1,0,0|2,0,0]=4 844 B14R2.31359 O=C(O)C1SCCC2=C1C=CC=C2 MCULE-1473922265 [1,0,0,1,0,0|2,0,0]=4 845 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 MCULE-2088979715 [1,0,0,1,0,0|1,0,0]=3 846 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C12 MCULE-4562043261 [1,0,0,1,0,0|1,0,0]=3 847 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 MCULE-5719677135 [1,0,0,1,0,0|2,0,0]=4 848 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 MCULE-8726212843 [1,0,0,1,0,0|2,0,0]=4 849 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 MCULE-1087218229 [1,0,0,1,0,0|1,0,0]=3 850 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 MCULE-4783214142 [1,0,0,1,0,0|1,0,0]=3 851 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 MCULE-4319713453 [1,0,0,1,0,0|2,0,0]=4 852 B14R2.31359 O=C(O)[C@H]1NCCC2=CC=CC=C12 MCULE-6859983381 [1,0,0,1,0,0|2,0,0]=4 853 B14R2.279 NC1CCOC2=CC=CC=C2C1=O MCULE-4147955339 [1,0,0,1,0,0|2,0,0]=4 854 B14R2.279 NC1CCOC2=CC=CC=C2C1=O MCULE-6378997799 [1,0,0,1,0,0|2,0,0]=4 855 B14R2.279 O=C1C2=C(C=CC=C2)CCCC1Br MCULE-3526920491 [1,0,0,1,0,0|2,0,0]=4 856 B14R2.3459 CC1(CCCC2=C1C=CC=C2)C=O MCULE-8810980783 [1,0,0,1,0,0|2,0,0]=4 857 B14R2.3459 NC1(CCCC2=C1C=CC=C2)CO MCULE-3414188277 [1,0,0,1,0,0|1,0,1]=4 858 B14R2.4514 NC1CCN(C1=O)C2=CC=CC=C2 MCULE-4367505085 [1,0,0,1,0,0|2,0,0]=4 859 B14R2.260 CC1SC(NC1=O)C2=CC=CC=C2 MCULE-1071648383 [0,0,0,1,1,0|2,0,0]=4 860 B14R2.260 CN1CC(OC1=O)C2=CC=CC=C2 MCULE-9315272880 [0,0,0,1,1,0|2,0,0]=4 861 B14R2.260 NC1CC(NC1=O)C2=CC=CC=C2 MCULE-3822256449 [0,0,0,1,1,0|1,0,0]=3 862 B14R2.741 NC1CCC2=CC=CC=C2NC1=O MCULE-3628679561 [0,0,0,1,1,0|1,0,0]=3 863 B14R2.741 NC1CCC2=CC=CC=C2NC1=O MCULE-6268894240 [0,0,0,1,1,0|1,0,0]=3 864 B14R2.741 NC1COC2=C(C=CC=C2)NC1=O MCULE-4795581297 [0,0,0,1,1,0|1,1,0]=4 865 B14R2.741 NC1COC2=CC=CC=C2NC1=O MCULE-3274236274 [0,0,0,1,1,0|1,1,0]=4 866 B14R2.741 NC1CSC2=C(C=CC=C2)NC1=O MCULE-8747172350 [0,0,0,1,1,0|1,0,0]=3 867 B14R2.741 N[C@@H]1CCC2=C(C=CC=C2)NC1=O MCULE-7188691788 [0,0,0,1,1,0|1,0,0]=3 868 B14R2.741 N[C@@H]1CCC2=CC=CC=C2NC1=O MCULE-6759214116 [0,0,0,1,1,0|1,0,0]=3 869 B14R2.741 N[C@@H]1COC2=CC=CC=C2NC1=O MCULE-1104499424 [0,0,0,1,1,0|1,1,0]=4 870 B14R2.741 N[C@@H]1COC2=CC=CC=C2NC1=O MCULE-8940500237 [0,0,0,1,1,0|1,1,0]=4 871 B14R2.741 N[C@H]1CCC2=CC=CC=C2NC1=O MCULE-6110858868 [0,0,0,1,1,0|1,0,0]=3 872 B14R2.741 N[C@H]1CCC2=CC=CC=C2NC1=O MCULE-9938196305 [0,0,0,1,1,0|1,0,0]=3 873 B14R2.741 N[C@H]1COC2=CC=CC=C2NC1=O MCULE-2660214587 [0,0,0,1,1,0|1,1,0]=4 874 B14R2.741 N[C@H]1COC2=CC=CC=C2NC1=O MCULE-5629467657 [0,0,0,1,1,0|1,1,0]=4 875 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br MCULE-3775973631 [0,0,0,1,1,0|2,0,0]=4 876 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Cl MCULE-6524921071 [0,0,0,1,1,0|2,0,0]=4 877 B14R2.779 O=C(O)C1CC(C1)C2=CC=CC=C2 MCULE-6473740503 [0,0,0,1,1,0|1,0,0]=3 878 B14R2.779 O=C(O)[C@H]1C[C@@H](C1)C2=CC=CC=C2 MCULE-1412094106 [0,0,0,1,1,0|1,0,0]=3 879 B14R2.779 O=C(O)[C@H]1C[C@H](C1)C2=CC=CC=C2 MCULE-7658589356 [0,0,0,1,1,0|1,0,0]=3 880 B14R2.781 NC(=O)C1CCC2=C(O1)C=CC=C2 MCULE-5609359439 [0,0,0,1,1,0|2,0,0]=4 881 B14R2.781 NC(=O)C1CCC2=CC=CC=C2N1 MCULE-5370876580 [0,0,0,1,1,0|1,0,0]=3 882 B14R2.781 O=C(Cl)C1CCC2=C(O1)C=CC=C2 MCULE-7770653282 [0,0,0,1,1,0|2,0,0]=4 883 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 MCULE-5516588414 [0,0,0,1,1,0|2,0,0]=4 884 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 MCULE-7618614062 [0,0,0,1,1,0|2,0,0]=4 885 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)C[NH2+]1 MCULE-4693308129 [0,0,0,1,1,0|2,0,0]=4 886 B14R2.781 O=C(O)C1CC2=CC=CC=C2CO1 MCULE-3383336742 [0,0,0,1,1,0|1,1,0]=4 887 B14R2.781 O=C(O)C1CCC2=C(C1)C=CC=C2 MCULE-1073951143 [0,0,0,1,1,0|1,0,0]=3 888 B14R2.781 O=C(O)C1CCC2=C(C1)C=CC=N2 MCULE-6885089493 [0,0,0,1,1,0|2,0,0]=4 889 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 MCULE-1430981224 [0,0,0,1,1,0|0,0,0]=2 890 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 MCULE-6517531807 [0,0,0,1,1,0|0,0,0]=2 891 B14R2.781 O=C(O)C1CCC2=C(N1)N=CC=C2 MCULE-3530015355 [0,0,0,1,1,0|1,0,0]=3 892 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 MCULE-5579568884 [0,0,0,1,1,0|1,0,0]=3 893 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 MCULE-1695827201 [0,0,0,1,1,0|2,0,0]=4 894 B14R2.781 O=C(O)C1CNC2=C(C1)C=CC=C2 MCULE-7045652172 [0,0,0,1,1,0|2,0,0]=4 895 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 MCULE-4163691176 [0,0,0,1,1,0|2,0,0]=4 896 B14R2.781 O=C(O)C1CNC2=C(O1)C=CC=C2 MCULE-8034888930 [0,0,0,1,1,0|2,0,0]=4 897 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 MCULE-8380949754 [0,0,0,1,1,0|1,1,0]=4 898 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 MCULE-2673479612 [0,0,0,1,1,0|0,1,0]=3 899 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 MCULE-5446725825 [0,0,0,1,1,0|0,1,0]=3 900 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 MCULE-7160477164 [0,0,0,1,1,0|1,1,0]=4 901 B14R2.781 O=C(O)C1CSC2=C(O1)C=CC=C2 MCULE-3259426758 [0,0,0,1,1,0|1,0,0]=3 902 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-1751200918 [0,0,0,1,1,0|2,0,0]=4 903 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-3630654232 [0,0,0,1,1,0|2,0,0]=4 904 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-3979537263 [0,0,0,1,1,0|2,0,0]=4 905 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-7210425562 [0,0,0,1,1,0|2,0,0]=4 906 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 MCULE-8974920280 [0,0,0,1,1,0|2,0,0]=4 907 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 MCULE-9244246003 [0,0,0,1,1,0|2,0,0]=4 908 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CO1 MCULE-8380454665 [0,0,0,1,1,0|1,1,0]=4 909 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-4304667368 [0,0,0,1,1,0|0,0,0]=2 910 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-8281152819 [0,0,0,1,1,0|0,0,0]=2 911 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-8625706872 [0,0,0,1,1,0|0,0,0]=2 912 B14R2.781 O=C(O)[C@@H]1CCC2=C(N1)C=CC=C2 MCULE-9388574763 [0,0,0,1,1,0|0,0,0]=2 913 B14R2.781 O=C(O)[C@@H]1COC2=C(C1)C=CC=C2 MCULE-2381744220 [0,0,0,1,1,0|1,1,0]=4 914 B14R2.781 O=C(O)[C@@H]1COC2=C(C1)C=CC=C2 MCULE-4852833545 [0,0,0,1,1,0|1,1,0]=4 915 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-1143196956 [0,0,0,1,1,0|1,1,0]=4 916 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 MCULE-5706531171 [0,0,0,1,1,0|1,1,0]=4 917 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 MCULE-2376955703 [0,0,0,1,1,0|2,0,0]=4 918 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 MCULE-7960518214 [0,0,0,1,1,0|2,0,0]=4 919 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 MCULE-6544852468 [0,0,0,1,1,0|2,0,0]=4 920 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-2819576381 [0,0,0,1,1,0|0,0,0]=2 921 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-4083424627 [0,0,0,1,1,0|0,0,0]=2 922 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-4694117161 [0,0,0,1,1,0|0,0,0]=2 923 B14R2.781 O=C(O)[C@H]1CCC2=C(N1)C=CC=C2 MCULE-5066619071 [0,0,0,1,1,0|0,0,0]=2 924 B14R2.781 O=C(O)[C@H]1CCC2=C(O1)C=CC=C2 MCULE-1951849524 [0,0,0,1,1,0|1,0,0]=3 925 B14R2.781 O=C(O)[C@H]1COC2=C(C1)C=CC=C2 MCULE-5842679845 [0,0,0,1,1,0|1,1,0]=4 926 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2C1 MCULE-9397950269 [0,0,0,1,1,0|1,1,0]=4 927 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 MCULE-7464025157 [0,0,0,1,1,0|1,1,0]=4 928 B14R2.781 [C@@H]1(COC2=CC=CC=C2O1)C(=O)O MCULE-3941635714 [0,0,0,1,1,0|1,1,0]=4 929 B14R2.786 CC1(CC1C2=CC=CC=C2)C(=O)O MCULE-9825459054 [0,0,0,1,1,0|1,0,0]=3 930 B14R2.786 CC1(OC1C2=CC=CC=C2)C(=O)O MCULE-1460241533 [0,0,0,1,1,0|1,1,0]=4 931 B14R2.786 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C(=O)O MCULE-2683158965 [0,0,0,1,1,0|1,0,0]=3 932 B14R2.786 NC1(CC1C2=CC=CC=C2)C(=O)O MCULE-2193342319 [0,0,0,1,1,0|0,0,0]=2 933 B14R2.786 NC1(CC1C2=CC=CC=C2)C(=O)O MCULE-5514124074 [0,0,0,1,1,0|0,0,0]=2 934 B14R2.9535 CC1(CCC2=C1C=CC=C2)C(=O)O MCULE-9056065100 [0,0,0,1,1,0|1,0,0]=3 935 B14R2.9535 NC(=O)C1(CCC2=C1C=CC=C2)N MCULE-1084270714 [0,0,0,1,1,0|1,0,0]=3 936 B14R2.9535 NC(=O)C1(CCC2=C1C=CC=C2)N MCULE-6349930208 [0,0,0,1,1,0|1,0,0]=3 937 B14R2.9535 NC1(CCC2=C1C=CC=C2)C(=O)O MCULE-2240790416 [0,0,0,1,1,0|0,0,0]=2 938 B14R2.9535 NC1(CCC2=C1C=CC=C2)C(=O)O MCULE-6911331157 [0,0,0,1,1,0|0,0,0]=2 939 B14R2.53 O=C(O)C1CSC(N1)C2=CC=CO2 MCULE-9066133912 [0,0,0,1,1,0|1,0,0]=3 940 B14R2.53 O=C(O)C1CSC(N1)C2=CC=CS2 MCULE-5025807786 [0,0,0,1,1,0|1,0,0]=3 941 B14R2.53 O=C(O)C1CSC(N1)C2=COC=C2 MCULE-6005897527 [0,0,0,1,1,0|1,0,0]=3 942 B14R2.53 O=C(O)C1CSC(N1)C2=CSC=C2 MCULE-9458029494 [0,0,0,1,1,0|1,0,0]=3 943 B14R2.53 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=CS2 MCULE-7150824559 [0,0,0,1,1,0|2,0,0]=4 944 B14R2.53 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=CS2 MCULE-9886743549 [0,0,0,1,1,0|2,0,0]=4 945 B14R2.53 O=C(O)[C@@H]1CSC(N1)C2=CC=CO2 MCULE-9538086735 [0,0,0,1,1,0|1,0,0]=3 946 B14R2.53 O=C(O)[C@@H]1CSC(N1)C2=CC=CO2 MCULE-9694767817 [0,0,0,1,1,0|1,0,0]=3 947 B14R2.53 O=C(O)[C@@H]1CSC(N1)C2=CC=CS2 MCULE-4999491160 [0,0,0,1,1,0|1,0,0]=3 948 B14R2.53 O=C(O)[C@@H]1CSC(N1)C2=CC=CS2 MCULE-9501985739 [0,0,0,1,1,0|1,0,0]=3 949 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,0,0,1,0,1|1,0,1]=4 950 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,0,0,1,0,1|1,0,1]=4 951 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,0,0,1,0,1|1,0,1]=4 952 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,0,0,1,0,1|1,0,1]=4 953 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,0,0,1,0,1|1,0,1]=4 954 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O MCULE-5808639127 [0,0,0,1,0,1|1,0,1]=4 955 B16R2.12 NC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-9996063121 [0,0,0,1,0,1|2,0,0]=4 956 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,0,0,1,0,1|1,0,1]=4 957 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,0,0,1,0,1|1,0,1]=4 958 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,0,0,1,0,1|1,0,1]=4 959 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,0,0,1,0,1|1,0,1]=4 960 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,0,0,1,0,1|1,0,1]=4 961 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-7595639482 [0,0,0,1,0,1|2,0,0]=4 962 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8773290838 [0,0,0,1,0,1|2,0,0]=4 963 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8783403149 [0,0,0,1,0,1|2,0,0]=4 964 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8945946277 [0,0,0,1,0,1|2,0,0]=4 965 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,0,0,1,0,1|1,0,1]=4 966 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,0,0,1,0,1|1,0,1]=4 967 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,0,0,1,0,1|1,0,1]=4 968 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,0,0,1,0,1|1,0,1]=4 969 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,0,0,1,0,1|1,0,1]=4 970 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,0,0,1,0,1|1,0,1]=4 971 B16R2.84 O=C(O)C1CC(CN1)CC2=CC=CC=C2 MCULE-1183146901 [0,0,0,1,0,1|2,0,0]=4 972 B16R2.84 O=C(O)C1CC(CN1)CC2=CC=CC=C2 MCULE-9554927018 [0,0,0,1,0,1|2,0,0]=4 973 B16R2.84 O=C(O)C1CCN(C1)CC2=CC=CC=C2 MCULE-1583989298 [0,0,0,1,0,1|2,0,0]=4 974 B16R2.84 O=C(O)C1CCN(C1)CC2=CC=CC=C2 MCULE-6106432669 [0,0,0,1,0,1|2,0,0]=4 975 B16R2.84 O=C(O)C1CNC(=N1)CC2=CC=CC=C2 MCULE-7345134573 [0,0,0,1,0,1|1,0,1]=4 976 B16R2.84 O=C(O)C1CSC(N1)CC2=CC=CC=C2 MCULE-4212565974 [0,0,0,1,0,1|0,0,0]=2 977 B16R2.84 O=C(O)[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-1388218612 [0,0,0,1,0,1|2,0,0]=4 978 B16R2.84 O=C(O)[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-2344681501 [0,0,0,1,0,1|2,0,0]=4 979 B16R2.84 O=C(O)[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-9342372257 [0,0,0,1,0,1|2,0,0]=4 980 B16R2.84 O=C(O)[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-9908341061 [0,0,0,1,0,1|2,0,0]=4 981 B16R2.84 O=C(O)[C@@H]1C[C@@H](CN1)CC2=CC=CC=C2 MCULE-1557840513 [0,0,0,1,0,1|2,0,0]=4 982 B16R2.84 O=C(O)[C@@H]1C[C@@H](CN1)CC2=CC=CC=C2 MCULE-4109593902 [0,0,0,1,0,1|2,0,0]=4 983 B16R2.84 O=C(O)[C@@H]1C[C@@H](CN1)CC2=CC=CC=C2 MCULE-7464381096 [0,0,0,1,0,1|2,0,0]=4 984 B16R2.84 O=C(O)[C@@H]1C[C@@H](CN1)CC2=CC=CC=C2 MCULE-9637778802 [0,0,0,1,0,1|2,0,0]=4 985 B16R2.84 O=C(O)[C@@H]1C[C@H](CN1)CC2=CC=CC=C2 MCULE-1005338489 [0,0,0,1,0,1|2,0,0]=4 986 B16R2.84 O=C(O)[C@@H]1C[C@H](CN1)CC2=CC=CC=C2 MCULE-5986016686 [0,0,0,1,0,1|2,0,0]=4 987 B16R2.84 O=C(O)[C@@H]1C[C@H](CN1)CC2=CC=CC=C2 MCULE-7007537501 [0,0,0,1,0,1|2,0,0]=4 988 B16R2.84 O=C(O)[C@@H]1C[C@H](CN1)CC2=CC=CC=C2 MCULE-7812897046 [0,0,0,1,0,1|2,0,0]=4 989 B16R2.84 O=C(O)[C@H]1CCN(C1)CC2=CC=CC=C2 MCULE-2505930445 [0,0,0,1,0,1|2,0,0]=4 990 B16R2.84 O=C(O)[C@H]1CCN(C1)CC2=CC=CC=C2 MCULE-4935403660 [0,0,0,1,0,1|2,0,0]=4 991 B16R2.84 O=C(O)[C@H]1CCN(C1)CC2=CC=CC=C2 MCULE-4960897455 [0,0,0,1,0,1|2,0,0]=4 992 B16R2.84 O=C(O)[C@H]1CCN(C1)CC2=CC=CC=C2 MCULE-6874054168 [0,0,0,1,0,1|2,0,0]=4 993 B16R2.86 O=C(O)C1CC(CCN1)C2=CC=CC=C2 MCULE-8825527171 [0,0,0,1,0,1|2,0,0]=4 994 B16R2.86 O=C(O)C1CCCC(C1)C2=CC=CC=C2 MCULE-1435436404 [0,0,0,1,0,1|2,0,0]=4 995 B16R2.86 O=C(O)C1CCCC(N1)C2=CC=CC=C2 MCULE-3422052049 [0,0,0,1,0,1|1,0,0]=3 996 B16R2.86 O=C(O)C1CCCN(C1)C2=CC=CC=C2 MCULE-2991004452 [0,0,0,1,0,1|2,0,0]=4 997 B16R2.86 O=C(O)C1CCOC(O1)C2=CC=CC=C2 MCULE-7426245391 [0,0,0,1,0,1|1,1,0]=4 998 B16R2.86 O=C(O)C1CNCC(C1)C2=CC=CC=C2 MCULE-4079567307 [0,0,0,1,0,1|2,0,0]=4 999 B16R2.86 O=C(O)C1CNCC(C1)C2=CC=CC=C2 MCULE-4671358808 [0,0,0,1,0,1|2,0,0]=4 1000 B16R2.86 O=C(O)[C@@H]1CCC[C@@H](N1)C2=CC=CC=C2 MCULE-4299752960 [0,0,0,1,0,1|1,0,0]=3 1001 B16R2.497 O=C(O)C1CC1COCC2=CC=CC=C2 MCULE-8304310298 [0,0,0,1,0,1|1,1,0]=4 1002 B16R2.497 O=C(O)[C@@H]1C[C@H]1COCC2=CC=CC=C2 MCULE-4707497575 [0,0,0,1,0,1|1,1,0]=4 1003 B16R2.497 O=C(O)[C@@H]1C[C@H]1COCC2=CC=CC=C2 MCULE-6927776895 [0,0,0,1,0,1|1,1,0]=4 1004 B16R2.497 O=C(O)[C@H]1C[C@@H]1COCC2=CC=CC=C2 MCULE-4153129119 [0,0,0,1,0,1|1,1,0]=4 1005 B16R2.497 O=C(O)[C@H]1C[C@@H]1COCC2=CC=CC=C2 MCULE-8456502734 [0,0,0,1,0,1|1,1,0]=4 1006 B16R2.27094 O=C(O)C1(CNCC1C2=CC=CC=C2)F MCULE-1658147122 [0,0,0,1,0,1|2,0,0]=4 1007 B16R2.27094 O=C(O)C1(CNCC1C2=CC=CC=C2)F MCULE-4944660740 [0,0,0,1,0,1|2,0,0]=4 1008 B16R2.27150 O=C(O)C1CC(C1)NCC2=CC=CC=C2 MCULE-4209802743 [0,0,0,1,0,1|2,0,0]=4 1009 B16R2.27150 O=C(O)C1CC(C1)NCC2=CC=CC=C2 MCULE-6707930966 [0,0,0,1,0,1|2,0,0]=4 1010 B16R2.27150 O=C(O)C1CC(C1)NCC2=CC=CC=C2 MCULE-6837535846 [0,0,0,1,0,1|2,0,0]=4 1011 B16R2.27150 O=C(O)C1CC(C1)OCC2=CC=CC=C2 MCULE-5895557060 [0,0,0,1,0,1|1,1,0]=4 1012 B16R2.27150 O=C(O)[C@H]1C[C@@H](C1)OCC2=CC=CC=C2 MCULE-4187507069 [0,0,0,1,0,1|1,1,0]=4 1013 B16R2.27150 O=C(O)[C@H]1C[C@H](C1)OCC2=CC=CC=C2 MCULE-6053966967 [0,0,0,1,0,1|1,1,0]=4 1014 B16R2.27150 [C@@H]1(C[C@@H](C1)C(=O)O)NCC2=CC=CC=C2 MCULE-3793940218 [0,0,0,1,0,1|2,0,0]=4 1015 B16R2.27150 [C@@H]1(C[C@@H](C1)C(=O)O)NCC2=CC=CC=C2 MCULE-8769808347 [0,0,0,1,0,1|2,0,0]=4 1016 B16R2.27150 [C@@H]1(C[C@H](C1)C(=O)O)NCC2=CC=CC=C2 MCULE-6609183541 [0,0,0,1,0,1|2,0,0]=4 1017 B16R2.27150 [C@@H]1(C[C@H](C1)C(=O)O)NCC2=CC=CC=C2 MCULE-7922005181 [0,0,0,1,0,1|2,0,0]=4 1018 B16R2.142990 NC1(CCCCC2=C1C=CC=C2)C(=O)O MCULE-5050854867 [0,0,0,1,0,1|1,0,0]=3 1019 B16R2.142990 NC1(CCCCC2=C1C=CC=C2)C(=O)O MCULE-6818469223 [0,0,0,1,0,1|1,0,0]=3 1020 B16R2.244415 CC(C(=O)O)N1CCCC2=C1C=CC=C2 MCULE-6655653687 [0,0,0,1,0,1|2,0,0]=4 1021 B16R2.244415 NC(C(=O)O)C1CCCC2=C1C=CC=C2 MCULE-1652555796 [0,0,0,1,0,1|1,0,0]=3 1022 B16R2.2832 O=C1OCC(O1)COCC2=CC=CC=C2 MCULE-3408027573 [0,0,0,1,0,1|1,1,0]=4 1023 B16R2.2865 CC1=CC=C(C=C1)C2NC(CS2)C(=O)O MCULE-3892100705 [0,1,0,1,0,0|0,0,0]=2 1024 B16R2.2865 CC1=CC=C(C=C1)C2N[C@@H](CS2)C(=O)O MCULE-6836294228 [0,1,0,1,0,0|0,0,0]=2 1025 B16R2.2865 CC1=CC=C(C=C1)C2N[C@H](CS2)C(=O)O MCULE-5610400603 [0,1,0,1,0,0|0,0,0]=2 1026 B16R2.2865 O=C(O)C1CSC(N1)C2=CC=C(C=C2)Br MCULE-7592577391 [0,1,0,1,0,0|0,0,0]=2 1027 B16R2.2865 O=C(O)C1CSC(N1)C2=CC=C(C=C2)Cl MCULE-1682070658 [0,1,0,1,0,0|0,0,0]=2 1028 B16R2.2865 O=C(O)C1CSC(N1)C2=CC=C(C=C2)F MCULE-8432442126 [0,1,0,1,0,0|0,0,0]=2 1029 B16R2.2865 O=C(O)C1CSC(N1)C2=CC=C(C=C2)O MCULE-3424508731 [0,1,0,1,0,0|0,0,0]=2 1030 B16R2.2865 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=C(C=C2)F MCULE-2435226378 [0,1,0,1,0,0|1,0,0]=3 1031 B16R2.2865 O=C(O)[C@@H]1CC[C@H](N1)C2=CC=C(C=C2)F MCULE-9096112948 [0,1,0,1,0,0|1,0,0]=3 1032 B16R2.2865 O=C(O)[C@@H]1CSC(N1)C2=CC=C(C=C2)Br MCULE-9435241295 [0,1,0,1,0,0|0,0,0]=2 1033 B16R2.2865 O=C(O)[C@@H]1CSC(N1)C2=CC=C(C=C2)Cl MCULE-3341898864 [0,1,0,1,0,0|0,0,0]=2 1034 B16R2.2865 O=C(O)[C@@H]1CSC(N1)C2=CC=C(C=C2)F MCULE-7857504163 [0,1,0,1,0,0|0,0,0]=2 1035 B16R2.2865 O=C(O)[C@@H]1CSC(N1)C2=CC=C(C=C2)O MCULE-2274244940 [0,1,0,1,0,0|0,0,0]=2 1036 B16R2.2865 O=C(O)[C@@H]1CSC(N1)C2=CC=C(C=C2)O MCULE-5694377119 [0,1,0,1,0,0|0,0,0]=2 1037 B16R2.2865 O=C(O)[C@@H]1CS[C@@H](N1)C2=CC=C(C=C2)Br MCULE-7945279154 [0,1,0,1,0,0|0,0,0]=2 1038 B16R2.2865 O=C(O)[C@H]1CSC(N1)C2=CC=C(C=C2)O MCULE-8059937047 [0,1,0,1,0,0|0,0,0]=2 1039 B16R2.2865 [C@H]1(CSC(N1)C2=CC=C(C=C2)C)C(=O)O MCULE-4346157633 [0,1,0,1,0,0|0,0,0]=2 1040 B16R2.2865 [C@H]1(CSC(N1)C2=CC=C(C=C2)Cl)C(=O)O MCULE-6305627232 [0,1,0,1,0,0|0,0,0]=2 1041 B16R2.2865 [C@H]1(CSC(N1)C2=CC=C(C=C2)F)C(=O)O MCULE-5186477854 [0,1,0,1,0,0|0,0,0]=2 1042 B16R2.33334 O=C(O)C1CN(C1)CC2=CC=C(C=C2)Cl MCULE-5589634990 [0,1,0,1,0,0|2,0,0]=4 1043 B16R2.81844 CC1(CCCC2=CC=C(C=C12)F)C(=O)O MCULE-9078454785 [0,1,0,1,0,0|2,0,0]=4 1044 B16R2.2918 CC1=CC(=CC=C1)C2NC(CS2)C(=O)O MCULE-2520240396 [0,1,0,1,0,0|0,0,0]=2 1045 B16R2.2918 O=C(O)C1CSC(N1)C2=CC(=CC=C2)Br MCULE-1038623134 [0,1,0,1,0,0|0,0,0]=2 1046 B16R2.2918 O=C(O)C1CSC(N1)C2=CC(=CC=C2)F MCULE-4096566440 [0,1,0,1,0,0|0,0,0]=2 1047 B16R2.2918 O=C(O)C1CSC(N1)C2=CC(=CC=C2)I MCULE-2154103167 [0,1,0,1,0,0|0,0,0]=2 1048 B16R2.2918 O=C(O)C1CSC(N1)C2=CC(=CC=C2)O MCULE-6010290906 [0,1,0,1,0,0|0,0,0]=2 1049 B16R2.2918 O=C(O)C1CSC(N1)C2=CC=CC(=C2)Cl MCULE-5491438928 [0,1,0,1,0,0|0,0,0]=2 1050 B16R2.2918 O=C(O)[C@@H]1CSC(N1)C2=CC(=CC=C2)O MCULE-1926381766 [0,1,0,1,0,0|0,0,0]=2 1051 B16R2.2918 O=C(O)[C@@H]1CSC(N1)C2=CC=CC(=C2)O MCULE-5790229645 [0,1,0,1,0,0|0,0,0]=2 1052 B16R2.2918 O=C(O)[C@H]1CSC(N1)C2=CC=CC(=C2)O MCULE-7645528406 [0,1,0,1,0,0|0,0,0]=2 1053 B16R2.11886 O=C(O)C1CN(C1)CC2=CC(=CC=C2)Br MCULE-7755093148 [0,1,0,1,0,0|2,0,0]=4 1054 B16R2.12531 NC1(CCCC2=C1C=CC(=C2)Br)C(=O)O MCULE-4988141492 [0,1,0,1,0,0|1,0,0]=3 1055 B16R2.3270 CC1=CC=CC=C1C2NC(CS2)C(=O)O MCULE-7261541081 [0,1,0,1,0,0|0,0,0]=2 1056 B16R2.3270 O=C(O)C1CSC(=N1)C2=C(C=CC=C2)O MCULE-9561199552 [0,1,0,1,0,0|0,0,2]=4 1057 B16R2.3270 O=C(O)C1CSC(N1)C2=C(C=CC=C2)Br MCULE-7975444882 [0,1,0,1,0,0|0,0,0]=2 1058 B16R2.3270 O=C(O)C1CSC(N1)C2=C(C=CC=C2)F MCULE-8297451147 [0,1,0,1,0,0|0,0,0]=2 1059 B16R2.3270 O=C(O)C1CSC(N1)C2=CC=CC=C2Cl MCULE-3274231507 [0,1,0,1,0,0|0,0,0]=2 1060 B16R2.3270 O=C(O)C1CSC(N1)C2=CC=CC=C2O MCULE-5310490353 [0,1,0,1,0,0|0,0,0]=2 1061 B16R2.3270 O=C(O)[C@@H]1CSC(N1)C2=C(C=CC=C2)O MCULE-4019416859 [0,1,0,1,0,0|0,0,0]=2 1062 B16R2.3270 O=C(O)[C@H]1CSC(=N1)C2=C(C=CC=C2)O MCULE-1970407091 [0,1,0,1,0,0|0,0,2]=4 1063 B16R2.3270 [C@H]1(CSC(N1)C2=CC=CC=C2F)C(=O)O MCULE-6951655507 [0,1,0,1,0,0|0,0,0]=2 1064 B16R2.3270 [C@H]1(CSC(N1)C2=CC=CC=C2O)C(=O)O MCULE-3886268011 [0,1,0,1,0,0|0,0,0]=2 1065 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O MCULE-3718199935 [0,1,0,1,0,0|1,0,1]=4 1066 B16R2.6271 NC(CC1=CC2=C(O1)C=CC=C2)C(=O)O MCULE-8013856096 [0,1,0,1,0,0|1,0,1]=4 1067 B16R2.6271 NC(CC1=NC2=C(N1)C=CC=C2)C(=O)O MCULE-3828527311 [0,1,0,1,0,0|2,0,0]=4 1068 B16R2.6271 NC(CC1=NC2=CC=CC=C2N1)C(=O)O MCULE-8843172046 [0,1,0,1,0,0|2,0,0]=4 1069 B16R2.6271 NC(CC1=NC2=CC=CC=C2S1)C(=O)O MCULE-4343354320 [0,1,0,1,0,0|2,0,0]=4 1070 B16R2.6271 NC(CC1=NC2=CC=CC=C2S1)C(=O)O MCULE-7267587946 [0,1,0,1,0,0|2,0,0]=4 1071 B16R2.6271 N[C@@H](CC1=NC2=C(S1)C=CC=C2)C(=O)O MCULE-9517156620 [0,1,0,1,0,0|2,0,0]=4 1072 B16R2.6271 N[C@@H](CC1=NC2=CC=CC=C2S1)C(=O)O MCULE-1972326481 [0,1,0,1,0,0|2,0,0]=4 1073 B16R2.6271 N[C@@H](CC1=NC2=CC=CC=C2S1)C(=O)O MCULE-9797248616 [0,1,0,1,0,0|2,0,0]=4 1074 B16R2.6271 N[C@@H](CC1=NC2=CC=CC=C2S1)C(=O)O MCULE-9913825627 [0,1,0,1,0,0|2,0,0]=4 1075 B16R2.6284 NC(C(=O)O)C1COC2=CC=CC=C2C1 MCULE-8033864486 [0,1,0,1,0,0|2,0,0]=4 1076 B16R2.22835 CC1(CCCC2=C(C=CC=C12)F)C(=O)O MCULE-5603334782 [0,1,0,1,0,0|2,0,0]=4 1077 B16R2.24852 O=C(O)C1CN(C1)CC2=CC=CC=C2F MCULE-4236971314 [0,1,0,1,0,0|2,0,0]=4 1078 B16R2.85 O=C(O)C1CCC(CC1)C2=CC=CC=C2 MCULE-9422899983 [0,1,0,1,0,0|2,0,0]=4 1079 B16R2.85 O=C(O)C1COC(CO1)C2=CC=CC=C2 MCULE-9467685980 [0,1,0,1,0,0|1,1,0]=4 1080 B16R2.85 O=C(O)[C@H]1CO[C@@H](CO1)C2=CC=CC=C2 MCULE-2700209195 [0,1,0,1,0,0|1,1,0]=4 1081 B16R2.85 O=C(O)[C@H]1CO[C@H](CO1)C2=CC=CC=C2 MCULE-8293247573 [0,1,0,1,0,0|1,1,0]=4 1082 B16R2.27427 O=C(O)C1CCC(C1)(O)C2=CC=CC=C2 MCULE-7177907463 [0,1,0,1,0,0|2,0,0]=4 1083 B16R2.27427 [C@H]1(CSC(N1)(C)C2=CC=CC=C2)C(=O)O MCULE-4510522451 [0,1,0,1,0,0|0,0,0]=2 1084 B16R2.386322 CC1CCC(C2=C1C=CC=C2)(N)C(=O)O MCULE-1926343299 [0,1,0,1,0,0|1,0,0]=3 1085 B16R2.386322 CC1CCC(C2=C1C=CC=C2)(N)C(=O)O MCULE-5137461326 [0,1,0,1,0,0|1,0,0]=3 1086 B16R2.141 COC(=O)C1CCC(N1)C2=CC=CC=C2 MCULE-4870626233 [0,1,0,1,0,0|1,0,0]=3 1087 B16R2.141 COC(=O)C1CCC(N1)C2=CC=CC=C2 MCULE-9721272535 [0,1,0,1,0,0|1,0,0]=3 1088 B16R2.141 COC(=O)C1CNC(C1)C2=CC=CC=C2 MCULE-1749069398 [0,1,0,1,0,0|2,0,0]=4 1089 B16R2.141 COC(=O)C1CNC(C1)C2=CC=CC=C2 MCULE-4951833353 [0,1,0,1,0,0|2,0,0]=4 1090 B16R2.141 COC(=O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-1361929629 [0,1,0,1,0,0|1,0,0]=3 1091 B16R2.141 COC(=O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-6256117808 [0,1,0,1,0,0|1,0,0]=3 1092 B16R2.141 COC(=O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-7681342458 [0,1,0,1,0,0|1,0,0]=3 1093 B16R2.141 COC(=O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-7997192823 [0,1,0,1,0,0|1,0,0]=3 1094 B16R2.141 COC(=O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-8009308055 [0,1,0,1,0,0|1,0,0]=3 1095 B16R2.141 COC(=O)[C@@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-9661948566 [0,1,0,1,0,0|1,0,0]=3 1096 B16R2.141 COC(=O)[C@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-4364274715 [0,1,0,1,0,0|1,0,0]=3 1097 B16R2.141 COC(=O)[C@H]1CC[C@H](N1)C2=CC=CC=C2 MCULE-6688654645 [0,1,0,1,0,0|1,0,0]=3 1098 B16R2.1227 COC(=O)C1CN(C1)CC2=CC=CC=C2 MCULE-3849756419 [0,1,0,1,0,0|2,0,0]=4 1099 B16R2.2224 COC(=O)C(N)C1CCC2=CC=CC=C12 MCULE-7107712838 [0,1,0,1,0,0|1,0,0]=3 1100 B16R2.3250 O=C1OCCC1COCC2=CC=CC=C2 MCULE-2057771610 [0,1,0,1,0,0|1,1,0]=4 1101 B16R2.34194 COC(=O)C1(CCCC2=C1C=CC=C2)C MCULE-2719289220 [0,1,0,1,0,0|2,0,0]=4 1102 B16R2.34194 COC(=O)C1(CCCC2=C1C=CC=C2)N MCULE-4126559108 [0,1,0,1,0,0|1,0,0]=3 1103 B16R2.34194 COC(=O)C1(CCCC2=CC=CC=C12)N MCULE-1159050101 [0,1,0,1,0,0|1,0,0]=3 1104 B16R2.27620 O=C(O)C1(CC1)COCC2=CC=CC=C2 MCULE-6807269629 [0,1,0,1,0,0|1,1,0]=4 1105 B16R2.61990 CCC1(CCCC2=CC=CC=C12)C(=O)O MCULE-2778025807 [0,1,0,1,0,0|2,0,0]=4 1106 B16R3.35578 O=C(O)C12CCC(O1)C3=C2C=CC=C3 MCULE-2309242648 [0,0,0,2,0,0|2,0,0]=4 1107 B16R3.35578 [C@@H]12CC[C@@](O1)(C3=C2C=CC=C3)C(=O)O MCULE-2677117399 [0,0,0,2,0,0|2,0,0]=4 1108 B16R3.35578 [C@H]12CC[C@](O1)(C3=C2C=CC=C3)C(=O)O MCULE-6304504667 [0,0,0,2,0,0|2,0,0]=4 1109 B16R3.426 O=C(O)C1CC12CCC3=C2C=CC=C3 MCULE-2331646785 [0,0,0,2,0,0|2,0,0]=4 1110 B16R3.211755 O=C(O)C1C2C1C3=C(CC2)C=CC=C3 MCULE-5221763047 [0,0,0,2,0,0|2,0,0]=4 1111 B16R3.36464 CC1(C2C1C3=C(C2)C=CC=C3)C(=O)O MCULE-9083371127 [0,0,0,2,0,0|2,0,0]=4 1112 B12R1.255 O=C(O)CCCCC1=CC=CS1 MCULE-4561100672 [1,0,0,0,1,0|2,0,0]=4 1113 B12R1.255 O=C(O)CCCCC1=CSC=C1 MCULE-5631369759 [1,0,0,0,1,0|2,0,0]=4 1114 B12R1.255 O=C(O)CCCCN1C=CC=C1 MCULE-2946274772 [1,0,0,0,1,0|2,0,0]=4 1115 B12R1.27 C=CC(O)CSC1=CC=CC=C1 MCULE-1471280182 [1,0,0,0,1,0|2,0,0]=4 1116 B12R1.27 CC(C=O)CCC1=CC=CC=C1 MCULE-9175155992 [1,0,0,0,1,0|1,0,0]=3 1117 B12R1.27 CC(CO)CCC1=CC=CC=C1 MCULE-6469270838 [1,0,0,0,1,0|1,0,1]=4 1118 B12R1.27 CCC(N)CCC1=CC=CC=C1 MCULE-2546669799 [1,0,0,0,1,0|1,0,1]=4 1119 B12R1.27 CCC(N)CSC1=CC=CC=C1 MCULE-9383829075 [1,0,0,0,1,0|1,0,1]=4 1120 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 MCULE-3172849910 [1,0,0,0,1,0|1,1,0]=4 1121 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 MCULE-8101954895 [1,0,0,0,1,0|1,1,0]=4 1122 B12R1.27 C[C@H](C=O)OCC1=CC=CC=C1 MCULE-4108515139 [1,0,0,0,1,0|1,1,0]=4 1123 B12R1.27 NC(CO)CCC1=CC=CC=C1 MCULE-6673850897 [1,0,0,0,1,0|0,0,1]=3 1124 B12R1.27 NC(CO)CCC1=CC=NC=C1 MCULE-5974343480 [1,0,0,0,1,0|1,0,1]=4 1125 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 MCULE-1937001414 [1,0,0,0,1,0|0,0,1]=3 1126 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 MCULE-1994503014 [1,0,0,0,1,0|0,0,1]=3 1127 B12R1.27 N[C@H](CO)CCC1=CC=CC=C1 MCULE-3457504038 [1,0,0,0,1,0|0,0,1]=3 1128 B12R1.27 N[C@H](CO)CCC1=CC=CC=C1 MCULE-9691986906 [1,0,0,0,1,0|0,0,1]=3 1129 B12R1.27 OCC(O)CSC1=CC=CC=C1 MCULE-1671039702 [1,0,0,0,1,0|1,0,1]=4 1130 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MCULE-6200285839 [0,0,0,0,2,0|1,0,1]=4 1131 B12R1.43 CC(=O)C(Br)CC1=CC=CC=C1 MCULE-1714878295 [0,0,0,0,2,0|2,0,0]=4 1132 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 MCULE-9879731396 [0,0,0,0,2,0|2,0,0]=4 1133 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 MCULE-4230256436 [0,0,0,0,2,0|1,0,0]=3 1134 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 MCULE-7161249545 [0,0,0,0,2,0|1,0,0]=3 1135 B12R1.43 CC(CC1=CC=CC=C1)C(=O)Cl MCULE-6045163933 [0,0,0,0,2,0|2,0,0]=4 1136 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N MCULE-5416273234 [0,0,0,0,2,0|2,0,0]=4 1137 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O MCULE-7326511541 [0,0,0,0,2,0|1,0,0]=3 1138 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O MCULE-2945865799 [0,0,0,0,2,0|2,0,0]=4 1139 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O MCULE-5331249082 [0,0,0,0,2,0|2,0,0]=4 1140 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O MCULE-6152899620 [0,0,0,0,2,0|2,0,0]=4 1141 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O MCULE-6566847057 [0,0,0,0,2,0|2,0,0]=4 1142 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MCULE-7005885995 [0,0,0,0,2,0|2,0,0]=4 1143 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O MCULE-3922404950 [0,0,0,0,2,0|1,1,0]=4 1144 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O MCULE-9280194220 [0,0,0,0,2,0|1,0,0]=3 1145 B12R1.43 CC(SC1=CC=NC=C1)C(=O)O MCULE-6570780253 [0,0,0,0,2,0|2,0,0]=4 1146 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O MCULE-1835508382 [0,0,0,0,2,0|2,0,0]=4 1147 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-2382098458 [0,0,0,0,2,0|1,0,0]=3 1148 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-3028530630 [0,0,0,0,2,0|1,0,0]=3 1149 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O MCULE-2381911676 [0,0,0,0,2,0|1,1,0]=4 1150 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O MCULE-5540145744 [0,0,0,0,2,0|1,1,0]=4 1151 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O MCULE-5116283906 [0,0,0,0,2,0|1,0,0]=3 1152 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O MCULE-1832900891 [0,0,0,0,2,0|2,0,0]=4 1153 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O MCULE-1535867362 [0,0,0,0,2,0|1,1,0]=4 1154 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O MCULE-6976463834 [0,0,0,0,2,0|1,1,0]=4 1155 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O MCULE-8631279326 [0,0,0,0,2,0|2,0,0]=4 1156 B12R1.43 NC(=O)C(Br)CC1=CC=CC=C1 MCULE-8335898952 [0,0,0,0,2,0|2,0,0]=4 1157 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 MCULE-2161822841 [0,0,0,0,2,0|1,0,0]=3 1158 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 MCULE-2610261909 [0,0,0,0,2,0|1,0,0]=3 1159 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 MCULE-9345667353 [0,0,0,0,2,0|1,0,0]=3 1160 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 MCULE-9732246414 [0,0,0,0,2,0|1,0,0]=3 1161 B12R1.43 NC(=O)C(O)CC1=CC=CC=C1 MCULE-2820917516 [0,0,0,0,2,0|2,0,0]=4 1162 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 MCULE-6548337580 [0,0,0,0,2,0|1,0,0]=3 1163 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 MCULE-7119612436 [0,0,0,0,2,0|1,0,0]=3 1164 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 MCULE-9635114334 [0,0,0,0,2,0|1,0,0]=3 1165 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 MCULE-3676093786 [0,0,0,0,2,0|1,0,0]=3 1166 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 MCULE-5027501057 [0,0,0,0,2,0|1,0,0]=3 1167 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 MCULE-5946837057 [0,0,0,0,2,0|1,0,0]=3 1168 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 MCULE-8948644005 [0,0,0,0,2,0|1,0,0]=3 1169 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O MCULE-4509365715 [0,0,0,0,2,0|0,0,0]=2 1170 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O MCULE-9481096822 [0,0,0,0,2,0|0,0,0]=2 1171 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MCULE-3369503748 [0,0,0,0,2,0|1,0,0]=3 1172 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MCULE-4500681212 [0,0,0,0,2,0|1,0,0]=3 1173 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O MCULE-3037053990 [0,0,0,0,2,0|1,0,0]=3 1174 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O MCULE-3740298834 [0,0,0,0,2,0|1,0,0]=3 1175 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O MCULE-4165068673 [0,0,0,0,2,0|1,0,0]=3 1176 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O MCULE-8377448441 [0,0,0,0,2,0|1,0,0]=3 1177 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O MCULE-9526041825 [0,0,0,0,2,0|1,0,0]=3 1178 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O MCULE-2658135318 [0,0,0,0,2,0|1,0,0]=3 1179 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O MCULE-4065287784 [0,0,0,0,2,0|1,0,0]=3 1180 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O MCULE-4169399134 [0,0,0,0,2,0|1,0,0]=3 1181 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O MCULE-2466401514 [0,0,0,0,2,0|1,0,0]=3 1182 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O MCULE-7994000866 [0,0,0,0,2,0|1,0,0]=3 1183 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O MCULE-3988060033 [0,0,0,0,2,0|2,0,0]=4 1184 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O MCULE-6011199658 [0,0,0,0,2,0|2,0,0]=4 1185 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O MCULE-3627790030 [0,0,0,0,2,0|2,0,0]=4 1186 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O MCULE-8971528550 [0,0,0,0,2,0|2,0,0]=4 1187 B12R1.43 NC(CC1=NN=CC=C1)C(=O)O MCULE-3486949364 [0,0,0,0,2,0|2,0,0]=4 1188 B12R1.43 NC(CC1=NN=CC=C1)C(=O)O MCULE-9714711796 [0,0,0,0,2,0|2,0,0]=4 1189 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-1311765992 [0,0,0,0,2,0|0,0,0]=2 1190 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-4249753593 [0,0,0,0,2,0|0,0,0]=2 1191 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-5960921520 [0,0,0,0,2,0|0,0,0]=2 1192 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-9410526237 [0,0,0,0,2,0|0,0,0]=2 1193 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O MCULE-1318776684 [0,0,0,0,2,0|1,0,0]=3 1194 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O MCULE-2756511850 [0,0,0,0,2,0|1,0,0]=3 1195 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O MCULE-6450114631 [0,0,0,0,2,0|1,0,0]=3 1196 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O MCULE-6451205573 [0,0,0,0,2,0|1,0,0]=3 1197 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O MCULE-6819782094 [0,0,0,0,2,0|1,0,0]=3 1198 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O MCULE-7779462392 [0,0,0,0,2,0|1,0,0]=3 1199 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O MCULE-1319584746 [0,0,0,0,2,0|1,0,0]=3 1200 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O MCULE-4038860269 [0,0,0,0,2,0|1,0,0]=3 1201 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O MCULE-5445835001 [0,0,0,0,2,0|1,0,0]=3 1202 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O MCULE-9469765262 [0,0,0,0,2,0|1,0,0]=3 1203 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O MCULE-1225994987 [0,0,0,0,2,0|1,0,0]=3 1204 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O MCULE-1559053573 [0,0,0,0,2,0|1,0,0]=3 1205 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O MCULE-2320178150 [0,0,0,0,2,0|1,0,0]=3 1206 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O MCULE-1359394268 [0,0,0,0,2,0|2,0,0]=4 1207 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O MCULE-2088497949 [0,0,0,0,2,0|2,0,0]=4 1208 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O MCULE-3144048553 [0,0,0,0,2,0|2,0,0]=4 1209 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O MCULE-6040113143 [0,0,0,0,2,0|2,0,0]=4 1210 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-2148272872 [0,0,0,0,2,0|0,0,0]=2 1211 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-2197316791 [0,0,0,0,2,0|0,0,0]=2 1212 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-2827782619 [0,0,0,0,2,0|0,0,0]=2 1213 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-3011969403 [0,0,0,0,2,0|0,0,0]=2 1214 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O MCULE-3394687698 [0,0,0,0,2,0|1,0,0]=3 1215 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O MCULE-4997997022 [0,0,0,0,2,0|1,0,0]=3 1216 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O MCULE-5673410743 [0,0,0,0,2,0|1,0,0]=3 1217 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O MCULE-8503334355 [0,0,0,0,2,0|1,0,0]=3 1218 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O MCULE-9702283993 [0,0,0,0,2,0|1,0,0]=3 1219 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O MCULE-1530965630 [0,0,0,0,2,0|1,0,0]=3 1220 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O MCULE-2261526216 [0,0,0,0,2,0|1,0,0]=3 1221 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O MCULE-5458063668 [0,0,0,0,2,0|1,0,0]=3 1222 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O MCULE-8584771604 [0,0,0,0,2,0|1,0,0]=3 1223 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-2767701043 [0,0,0,0,2,0|1,0,0]=3 1224 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-3184854322 [0,0,0,0,2,0|1,0,0]=3 1225 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-5316652497 [0,0,0,0,2,0|1,0,0]=3 1226 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-8407561976 [0,0,0,0,2,0|1,0,0]=3 1227 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 MCULE-8151311396 [0,0,0,0,2,0|2,0,0]=4 1228 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 MCULE-9935480822 [0,0,0,0,2,0|1,0,1]=4 1229 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 MCULE-1864489061 [0,0,0,0,2,0|1,0,0]=3 1230 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 MCULE-5141593227 [0,0,0,0,2,0|1,0,0]=3 1231 B12R1.43 O=C(O)C(Br)C[N+]1=CC=CC=C1 MCULE-5162156323 [0,0,0,0,2,0|2,0,0]=4 1232 B12R1.43 O=C(O)C(Br)C[N+]1=CC=CC=C1 MCULE-5251609604 [0,0,0,0,2,0|2,0,0]=4 1233 B12R1.43 O=C(O)C(F)CC1=CC=CC=C1 MCULE-9166012619 [0,0,0,0,2,0|1,0,0]=3 1234 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MCULE-8315491131 [0,0,0,0,2,0|1,0,0]=3 1235 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MCULE-9508817950 [0,0,0,0,2,0|1,0,0]=3 1236 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MCULE-6280644145 [0,0,0,0,2,0|2,0,0]=4 1237 B12R1.43 O=C(O)C(S)CC1=CC=CC=C1 MCULE-2786315780 [0,0,0,0,2,0|1,0,0]=3 1238 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 MCULE-4327885480 [0,0,0,0,2,0|1,0,0]=3 1239 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 MCULE-7060788630 [0,0,0,0,2,0|1,0,0]=3 1240 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 MCULE-1955124001 [0,0,0,0,2,0|1,0,0]=3 1241 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 MCULE-2054040205 [0,0,0,0,2,0|1,0,0]=3 1242 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 MCULE-1839486703 [0,0,0,0,2,0|1,0,0]=3 1243 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 MCULE-4919076158 [0,0,0,0,2,0|1,0,0]=3 1244 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 MCULE-7765977229 [0,0,0,0,2,0|1,0,0]=3 1245 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 MCULE-9087197160 [0,0,0,0,2,0|1,0,0]=3 1246 B12R1.43 O=C(O)[C@H](Cl)CC1=CC=CC=C1 MCULE-1353432482 [0,0,0,0,2,0|1,0,0]=3 1247 B12R1.43 O=C(O)[C@H](Cl)CC1=CC=CC=C1 MCULE-5962224015 [0,0,0,0,2,0|1,0,0]=3 1248 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 MCULE-2910632779 [0,0,0,0,2,0|1,0,0]=3 1249 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 MCULE-9829239357 [0,0,0,0,2,0|1,0,0]=3 1250 B12R1.43 O=C(O)[C@H](S)CC1=CC=CC=C1 MCULE-6360971092 [0,0,0,0,2,0|1,0,0]=3 1251 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(=O)N MCULE-5599449655 [0,0,0,0,2,0|1,0,0]=3 1252 B12R1.264 CC(CCC1=CC=CS1)C(=O)O MCULE-3548866690 [0,0,0,0,2,0|2,0,0]=4 1253 B12R1.264 CC(SCC1=CC=CO1)C(=O)O MCULE-4549363559 [0,0,0,0,2,0|2,0,0]=4 1254 B12R1.264 NC(CSC1=CC=CS1)C(=O)O MCULE-1034881546 [0,0,0,0,2,0|1,0,0]=3 1255 B12R1.264 NC(CSC1=NC=CS1)C(=O)O MCULE-4673937684 [0,0,0,0,2,0|2,0,0]=4 1256 B14R1.422 CC(=O)CCCCCC1=CC=CC=C1 MCULE-3901057427 [1,0,0,0,0,1|2,0,0]=4 1257 B14R1.422 CC(=O)CCCCOC1=CC=CC=C1 MCULE-6238714297 [1,0,0,0,0,1|2,0,0]=4 1258 B14R1.422 CC(=O)CCCCSC1=CC=CC=C1 MCULE-3971353640 [1,0,0,0,0,1|2,0,0]=4 1259 B14R1.422 CC(=O)CCCOCC1=CC=CC=C1 MCULE-8063869995 [1,0,0,0,0,1|1,1,0]=4 1260 B14R1.422 CC(=O)NCCCCC1=CC=CC=C1 MCULE-7414237851 [1,0,0,0,0,1|2,0,0]=4 1261 B14R1.422 CC(=O)NCCNCC1=CC=CC=C1 MCULE-8080121287 [1,0,0,0,0,1|2,0,0]=4 1262 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 MCULE-2533301387 [1,0,0,0,0,1|2,0,0]=4 1263 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 MCULE-4734456085 [1,0,0,0,0,1|2,0,0]=4 1264 B14R1.422 O=C(Cl)OCCOCC1=CC=CC=C1 MCULE-3582231357 [1,0,0,0,0,1|1,1,0]=4 1265 B14R1.422 O=C(O)/C=C/COCC1=CC=CC=C1 MCULE-1512736946 [1,0,0,0,0,1|0,1,1]=4 1266 B14R1.422 O=C(O)C=CCOCC1=CC=CC=C1 MCULE-9807627261 [1,0,0,0,0,1|0,1,1]=4 1267 B14R1.422 O=C(O)CCCC#CC1=CC=CC=C1 MCULE-7340610469 [1,0,0,0,0,1|1,0,1]=4 1268 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 MCULE-8701939268 [1,0,0,0,0,1|1,0,0]=3 1269 B14R1.422 O=C(O)CCCCCC1=NC=CC=C1 MCULE-6956407883 [1,0,0,0,0,1|2,0,0]=4 1270 B14R1.422 O=C(O)CCCCNC1=CC=CC=N1 MCULE-9637351472 [1,0,0,0,0,1|2,0,0]=4 1271 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 MCULE-7803519351 [1,0,0,0,0,1|1,0,0]=3 1272 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 MCULE-6448037636 [1,0,0,0,0,1|1,0,0]=3 1273 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 MCULE-8777305709 [1,0,0,0,0,1|1,0,0]=3 1274 B14R1.422 O=C(O)CCCNCC1=NC=CC=C1 MCULE-6564277082 [1,0,0,0,0,1|2,0,0]=4 1275 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 MCULE-3020556599 [1,0,0,0,0,1|0,1,0]=3 1276 B14R1.422 O=C(O)CCCSCC1=CC=CC=C1 MCULE-4415458412 [1,0,0,0,0,1|0,0,0]=2 1277 B14R1.422 O=C(O)CCCSSC1=NC=CC=C1 MCULE-9929153658 [1,0,0,0,0,1|2,0,0]=4 1278 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 MCULE-2936162502 [1,0,0,0,0,1|1,0,0]=3 1279 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 MCULE-3955262564 [1,0,0,0,0,1|1,0,0]=3 1280 B14R1.422 O=C(O)CCNOCC1=CC=CC=C1 MCULE-5384773206 [1,0,0,0,0,1|0,1,0]=3 1281 B14R1.422 O=C(O)CCNOCC1=CC=CC=C1 MCULE-8268120455 [1,0,0,0,0,1|0,1,0]=3 1282 B14R1.422 O=C(O)CCS/C=C/C1=CC=CC=C1 MCULE-9158275268 [1,0,0,0,0,1|0,0,1]=3 1283 B14R1.422 O=C(O)CCSC=CC1=CC=CC=C1 MCULE-3190918133 [1,0,0,0,0,1|0,0,1]=3 1284 B14R1.422 O=C(O)CCSCCC1=CC=NC=C1 MCULE-4578862677 [1,0,0,0,0,1|1,0,0]=3 1285 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-2348036420 [1,0,0,0,0,1|1,0,1]=4 1286 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-7721479692 [1,0,0,0,0,1|1,0,1]=4 1287 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 MCULE-5469944432 [1,0,0,0,0,1|2,0,0]=4 1288 B14R1.422 O=C(O)CSCCCC1=CC=CC=C1 MCULE-5979551301 [1,0,0,0,0,1|1,0,0]=3 1289 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 MCULE-7259230304 [1,0,0,0,0,1|2,0,0]=4 1290 B16R1.4131 CC(OCCOCC1=CC=CC=C1)C(=O)O MCULE-7984797849 [0,0,0,0,0,2|1,1,0]=4 1291 B16R1.4131 NC(CSCCOC1=CC=CC=C1)C(=O)O MCULE-1479093065 [0,0,0,0,0,2|0,0,0]=2 1292 B16R1.4131 N[C@@H](CCCOCC1=CC=CC=C1)C(=O)O MCULE-5463395662 [0,0,0,0,0,2|0,1,0]=3 1293 B16R1.4131 N[C@@H](CCCOCC1=CC=CC=C1)C(=O)O MCULE-9165448432 [0,0,0,0,0,2|0,1,0]=3 1294 B16R1.4131 N[C@H](CCCOCC1=CC=CC=C1)C(=O)O MCULE-5047234846 [0,0,0,0,0,2|0,1,0]=3