smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cc([C@@H](c2cc3c(cc2[O-])OCO3)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000031771971 556526220 /nfs/dbraw/zinc/52/62/20/556526220.db2.gz XNARHFDDQALZPZ-QHCPKHFHSA-N -1 3 441.568 4.843 10 10 IJCEHM CC(C)(C)c1cc([C@H](c2cc3c(cc2[O-])OCO3)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000031771970 556526169 /nfs/dbraw/zinc/52/61/69/556526169.db2.gz XNARHFDDQALZPZ-HSZRJFAPSA-N -1 3 441.568 4.843 10 10 IJCEHM