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(c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1)N1CCCCC1 ZINC000035065143 563089158 /nfs/dbraw/zinc/08/91/58/563089158.db2.gz CCDTWPNSOQZORV-UHFFFAOYSA-N -1 1 436.946 3.772 20 10 IHCDMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000020920556 521975659 /nfs/dbraw/zinc/97/56/59/521975659.db2.gz BLFLKSZDGFDHEZ-SXGWCWSVSA-N -1 1 434.926 3.855 20 10 IHCDMM