smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)ccc1ccc([C@H]3CNCC[NH2+]CCNCC[NH2+]3)cc12 ZINC000029126409 202181818 /nfs/dbraw/zinc/18/18/18/202181818.db2.gz FMIQMSIOJXYMBB-JOCHJYFZSA-N 2 1 348.494 2.406 1 5 EEBFMP