smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1c(NC(=O)OCc2ccccc2)snc1C(F)F ZINC000675076842 564113398 /nfs/dbraw/zinc/11/33/98/564113398.db2.gz SGDNQJPMXMJQQW-UHFFFAOYSA-N -1 2 328.296 3.528 10 0 EHAELM COC(=O)c1ccccc1-c1c([S-])c(S)ccc1C(=O)OC ZINC000095944476 563977782 /nfs/dbraw/zinc/97/77/82/563977782.db2.gz ACICPBZVMHPVTC-UHFFFAOYSA-N -1 2 334.418 3.504 10 0 EHAELM COC(=O)c1ccccc1-c1c(S)c([S-])ccc1C(=O)OC ZINC000095944476 563977783 /nfs/dbraw/zinc/97/77/83/563977783.db2.gz ACICPBZVMHPVTC-UHFFFAOYSA-N -1 2 334.418 3.504 10 0 EHAELM