smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2n(C)c(-c3ccc(C=NNC(=[NH2+])N4CCSC4)cc3)c[n+]2c1 ZINC000026832047 207319294 /nfs/dbraw/zinc/31/92/94/207319294.db2.gz XNRZDXMKFLSSTD-SSDVNMTOSA-N 2 2 379.513 2.394 1 30 GEEFLP