smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([O-])[n+]2c(-c3ccccc3)csc2n(Cc2cccc(Cl)c2)c1=O ZINC000101329894 208389854 /nfs/dbraw/zinc/38/98/54/208389854.db2.gz GREMJGZNJARNRI-CYBMUJFWSA-N 1 3 383.880 4.179 1 10 GICFHO CC1C(=O)[n+]2c(-c3ccccc3)csc2N(Cc2cccc(Cl)c2)C1=O ZINC000101329894 208389858 /nfs/dbraw/zinc/38/98/58/208389858.db2.gz GREMJGZNJARNRI-CYBMUJFWSA-N 1 3 383.880 4.179 1 10 GICFHO Cc1c([O-])[n+]2c(-c3ccccc3)csc2n(Cc2cccc(Cl)c2)c1=O ZINC000101329892 208388755 /nfs/dbraw/zinc/38/87/55/208388755.db2.gz GREMJGZNJARNRI-ZDUSSCGKSA-N 1 3 383.880 4.179 1 10 GICFHO CC1C(=O)[n+]2c(-c3ccccc3)csc2N(Cc2cccc(Cl)c2)C1=O ZINC000101329892 208388762 /nfs/dbraw/zinc/38/87/62/208388762.db2.gz GREMJGZNJARNRI-ZDUSSCGKSA-N 1 3 383.880 4.179 1 10 GICFHO