smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC=C(c3ccc(F)cc3)N21 ZINC000041083584 571107051 /nfs/dbraw/zinc/10/70/51/571107051.db2.gz XUHRJJCZXAYARY-ATNGQLTKSA-N -1 3 365.389 3.836 10 10 FHCEHM CS(=O)(=O)Nc1ccc([O-])c(Sc2nc3ccccc3s2)c1 ZINC000011615865 210102337 /nfs/dbraw/zinc/10/23/37/210102337.db2.gz AYLZICBCQLALGY-UHFFFAOYSA-N -1 3 352.462 3.525 10 10 FHCEHM CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000015777306 211143462 /nfs/dbraw/zinc/14/34/62/211143462.db2.gz XVJNEJUCZZDGBD-GDNBJRDFSA-N -1 3 357.207 3.961 10 10 FHCEHM