smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+](CCC)CP(=O)(CC)C[NH+](CCC)CCC ZINC000020595034 182235418 /nfs/dbraw/zinc/23/54/18/182235418.db2.gz WDLTVLXVFGOYCY-UHFFFAOYSA-N 2 1 304.459 4.528 10 0 DJAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCC2=CCCCC2)C3)cc1 ZINC000390854203 333399907 /nfs/dbraw/zinc/39/99/07/333399907.db2.gz JQJMBHDHNOZSPR-FRIKZZABSA-N 2 1 324.512 4.662 10 0 DJAEMP