smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C)(C)NC(=S)Nc1cc[nH+]cc1 ZINC000218279125 168297963 /nfs/dbraw/zinc/29/79/63/168297963.db2.gz YCPIEAMZOSMPCB-UHFFFAOYSA-N 1 2 223.345 2.557 40 70 BFIBLO