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(NN=c1c(=O)c2cccc3cccc1c23)c1ccc([O-])cc1 ZINC000005163687 181212581 /nfs/dbraw/zinc/21/25/81/181212581.db2.gz PKZMVMBJLHLJTG-MRCUWXFGSA-N -1 1 316.316 4.535 1 10 DJCFMM O=C1[N-]C(=S)C(=Cc2cc(Cl)cc(Cl)c2Cl)S1 ZINC000042921469 183318130 /nfs/dbraw/zinc/31/81/30/183318130.db2.gz LYEMMPWMYSZZDD-UQCOIBPSSA-N -1 1 324.641 4.772 1 10 DJCFMM O=C1[N-]C(=S)C(=Cc2ccc(-c3ccccc3)s2)S1 ZINC000095556496 185379756 /nfs/dbraw/zinc/37/97/56/185379756.db2.gz KKMBBTIZENIADR-WQLSENKSSA-N -1 1 303.433 4.540 1 10 DJCFMM