smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1Cc2c(cccc2[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240609 559056363 /nfs/dbraw/zinc/05/63/63/559056363.db2.gz QZMRCAJUESAGKD-NRFANRHFSA-N -2 3 401.418 4.157 10 0 HIAEHL CC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc([O-])c(Cl)c3oc2=O)ccc1[O-] ZINC000005430831 560201961 /nfs/dbraw/zinc/20/19/61/560201961.db2.gz GQENLIMEQYDTDJ-UHFFFAOYSA-N -3 3 415.829 4.324 10 0 in-vitro HIAEHL O=C([O-])[C@H]1Cc2c(cccc2[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240610 559056360 /nfs/dbraw/zinc/05/63/60/559056360.db2.gz QZMRCAJUESAGKD-OAQYLSRUSA-N -2 3 401.418 4.157 10 0 HIAEHL