smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/N=C2\SCC(=O)N2/N=C/c2ccccc2C(=O)[O-])cc1 ZINC000012447498 207378303 /nfs/dbraw/zinc/37/83/03/207378303.db2.gz MDNXHSOKOCXHJG-ANYDIMBLSA-N -1 2 353.403 3.290 40 30 FGEBLM O=C([O-])COc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000059248331 493902164 /nfs/dbraw/zinc/90/21/64/493902164.db2.gz PAOKSCJDRYJULA-REZTVBANSA-N -1 2 350.714 3.168 40 30 FGEBLM CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2cccs2)cc1 ZINC000000808056 206134635 /nfs/dbraw/zinc/13/46/35/206134635.db2.gz WFDVLWCYVHMLQD-INIZCTEOSA-N -1 2 371.414 3.414 40 30 FGEBLM CCc1nnc(C2=C(O)C(=Cc3ccc(C(=O)[O-])cc3)SC2=N)s1 ZINC000005988026 493948399 /nfs/dbraw/zinc/94/83/99/493948399.db2.gz JXTGYPSRJGUBAX-IKKFDYCRSA-N -1 2 359.432 3.217 40 30 FGEBLM