smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)S(=O)(=O)c1ccc(NCCC[NH2+]CCCC[NH2+]CCCN)c2nonc21 ZINC000043013968 563116737 /nfs/dbraw/zinc/11/67/37/563116737.db2.gz MLIIFECPJZCAMR-UHFFFAOYSA-N 2 3 427.575 0.583 1 0 ICAFHP