smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC[NH2+]CCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101607043 219145129 /nfs/dbraw/zinc/14/51/29/219145129.db2.gz DGDMKPQMKUNOQU-UHFFFAOYSA-N 2 0 337.423 2.021 1 30 EEEFRP O=C(C=Cc1ccc(C[NH2+]CCc2c[nH]c3cc[nH+]cc23)cc1)NO ZINC000072142874 216027805 /nfs/dbraw/zinc/02/78/05/216027805.db2.gz GYVBOCYZRIRHIA-AATRIKPKSA-N 2 0 336.395 2.414 1 30 EEEFRP