smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1[C@H](NC(=O)c2ccc(O)c([O-])c2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001193236611 841017410 /nfs/dbraw/zinc/01/74/10/841017410.db2.gz JLMNQELGCJUQTO-NVNXEXLPSA-N -2 1 350.736 -0.117 20 10 FBCDML