smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(NC(=O)c2cc(NC(=O)C[N+](C)(C)C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028227737 563051798 /nfs/dbraw/zinc/05/17/98/563051798.db2.gz CXFMXQJWQGUWAT-UHFFFAOYSA-O 2 0 431.521 0.316 10 30 ICEERP