smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1 ZINC000408785654 476973670 /nfs/dbraw/zinc/97/36/70/476973670.db2.gz XQXRGAMEIBJFPU-XYOKQWHBSA-N -2 1 342.738 2.712 40 10 EFCBML O=C([O-])c1nc(/N=N/c2ccc(Br)cc2)[n-]c1C(=O)O ZINC000004350402 210177445 /nfs/dbraw/zinc/17/74/45/210177445.db2.gz QJDQFMZJOGGXDD-FOCLMDBBSA-N -2 1 339.105 2.984 40 10 EFCBML O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)[N-]C3=O)o2)cc1O ZINC000005816354 471523374 /nfs/dbraw/zinc/52/33/74/471523374.db2.gz ZAMOUMGVPMKGIO-SDQBBNPISA-N -2 1 347.373 2.839 40 10 EFCBML O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3NC(=S)[N-]C3=O)o2)c1 ZINC000012428458 211378561 /nfs/dbraw/zinc/37/85/61/211378561.db2.gz WXCGAGUTTYDFDJ-IZZDOVSWSA-N -2 1 348.767 2.643 40 10 EFCBML