smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCCCCCCCCCC[NH+](CC)CC ZINC000028865205 182542288 /nfs/dbraw/zinc/54/22/88/182542288.db2.gz MDGYRIWUENBJJZ-UHFFFAOYSA-N 2 0 312.586 5.571 1 0 DKAFRP CC[NH+](CC)Cc1ccc(-c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000040979135 183154611 /nfs/dbraw/zinc/15/46/11/183154611.db2.gz FFHSGMKASIXTRS-UHFFFAOYSA-N 2 0 324.512 5.037 1 0 DKAFRP