smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)=N2 ZINC000004228265 555977784 /nfs/dbraw/zinc/97/77/84/555977784.db2.gz OZRNSSUDZOLUSN-LBPRGKRZSA-N -2 2 443.420 0.010 50 0 endogenous,in-man ICAALL COc1cc([O-])c(C(=O)c2cc(S(=O)(=O)[O-])c(OC)cc2O)cc1S(=O)(=O)[O-] ZINC000015020596 556488082 /nfs/dbraw/zinc/48/80/82/556488082.db2.gz UYZZHENGTKPYMN-UHFFFAOYSA-N -3 2 434.400 0.839 50 0 ICAALL COc1cc(O)c(C(=O)c2cc(S(=O)(=O)[O-])c(OC)cc2O)cc1S(=O)(=O)[O-] ZINC000015020596 556488078 /nfs/dbraw/zinc/48/80/78/556488078.db2.gz UYZZHENGTKPYMN-UHFFFAOYSA-N -2 2 434.400 0.839 50 0 ICAALL