smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C([O-])=CC(=O)c2ccccc2)cc1 ZINC000100257856 519679289 /nfs/dbraw/zinc/67/92/89/519679289.db2.gz OXIODTCRDQAQHE-BOPFTXTBSA-N -2 1 388.401 1.775 10 30 GDEEML COc1cc2c(c([O-])c1CSC[C@H](NC(C)=O)C(=O)[O-])C(=O)C(C)=CC2=O ZINC000002013691 560185594 /nfs/dbraw/zinc/18/55/94/560185594.db2.gz FDDCAZRCTMQKHP-LBPRGKRZSA-N -2 1 393.417 1.549 10 30 in-vitro GDEEML