smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2cc(N3CC[NH2+]CC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004574991 276930294 /nfs/dbraw/zinc/93/02/94/276930294.db2.gz GMIIGCRYMTWWJW-UHFFFAOYSA-N 2 1 323.372 0.895 50 5 DCBAMP C[NH+]1CCN(c2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])CC1 ZINC000004123208 415127883 /nfs/dbraw/zinc/12/78/83/415127883.db2.gz GRPWIUUZNMITRR-UHFFFAOYSA-N 2 1 305.382 0.756 50 5 DCBAMP