smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCCSCc2ccc(C[NH+](C)C)o2)o1 ZINC000008385570 554568620 /nfs/dbraw/zinc/56/86/20/554568620.db2.gz VTVSRHZKBPARSF-UHFFFAOYSA-N 2 0 497.687 3.417 50 5 JGBARP