smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc(NCC[NH2+]CCO)c2C(=O)c2cccc(NCC[NH2+]CCO)c21 ZINC000005390507 557650286 /nfs/dbraw/zinc/65/02/86/557650286.db2.gz ZDHVBUZVBKISRJ-UHFFFAOYSA-N 2 0 412.490 0.450 40 10 HCCBRP