smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000032971144 524106756 /nfs/dbraw/zinc/10/67/56/524106756.db2.gz YCKIEVALHXRUHX-ZDUSSCGKSA-N -2 0 408.907 4.075 10 0 HIAERL C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000032971143 524245768 /nfs/dbraw/zinc/24/57/68/524245768.db2.gz YCKIEVALHXRUHX-CYBMUJFWSA-N -2 0 408.907 4.075 10 0 HIAERL CC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc([O-])c(Cl)c3oc2=O)ccc1O ZINC000005430831 560201957 /nfs/dbraw/zinc/20/19/57/560201957.db2.gz GQENLIMEQYDTDJ-UHFFFAOYSA-N -2 0 415.829 4.324 10 0 in-vitro HIAERL