smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(O)c(C[NH+]2CCOCC2)cc(C[NH+]2CCOCC2)c1O ZINC000031670204 406941497 /nfs/dbraw/zinc/94/14/97/406941497.db2.gz LLMMXBJGHRZWFK-UHFFFAOYSA-N 2 2 322.405 1.071 40 10 DDCBLP C[NH+](C)Cc1cc(CC2([NH2+]Cc3ccccc3O)COC2)no1 ZINC000067897815 407289125 /nfs/dbraw/zinc/28/91/25/407289125.db2.gz FLWSAIAXYPNMMD-UHFFFAOYSA-N 2 2 317.389 1.543 40 10 biogenic,in-vitro DDCBLP