smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(SCCN(C)C)c2cc3c(SCC[NH+](C)C)cc(C)nc3c(C)c2n1 ZINC000027324069 563041561 /nfs/dbraw/zinc/04/15/61/563041561.db2.gz ZXGPXCPUPLQTNC-UHFFFAOYSA-N 1 3 428.671 5.016 1 5 IKBFHO