smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c(NC(=O)C[N@H+](C)Cc3ccccc3)n2)o1 ZINC000160162450 463320935 /nfs/dbraw/zinc/32/09/35/463320935.db2.gz UGOLJMZJDKJDLE-UHFFFAOYSA-N -1 2 325.372 2.444 20 70 EEIDLM O=C(Cc1ccc(O)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160069373 463317299 /nfs/dbraw/zinc/31/72/99/463317299.db2.gz JMNNFLANAJKXOX-UHFFFAOYSA-N -1 2 345.830 2.328 20 70 EEIDLM Cc1cccc2[nH+]c(CNC(=O)NCc3ccc(O)c(F)c3)cn21 ZINC000159544638 463291235 /nfs/dbraw/zinc/29/12/35/463291235.db2.gz GKUJKKDZDZAJIS-UHFFFAOYSA-N -1 2 328.347 2.487 20 70 EEIDLM