smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-n2[n-]c(C)c(C=Nc3cc(Cl)ccc3[O-])c2=O)ccc1Cl ZINC000408530773 532960946 /nfs/dbraw/zinc/96/09/46/532960946.db2.gz JOELHCGBNDBMEQ-LCYFTJDESA-N -2 1 392.242 4.426 40 10 GICBML Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000016160719 221358736 /nfs/dbraw/zinc/35/87/36/221358736.db2.gz WOPVIQNBXTUMSL-DHDCSXOGSA-N -2 1 390.226 4.410 40 10 GICBML Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000016284815 570920625 /nfs/dbraw/zinc/92/06/25/570920625.db2.gz DVTNIUITICWUIC-YBEGLDIGSA-N -2 1 383.835 4.374 40 10 GICBML