smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000254286811 572302266 /nfs/dbraw/zinc/30/22/66/572302266.db2.gz SOOLLEBJNGCDOZ-FQEVSTJZSA-N -2 1 553.559 4.111 10 0 in-vitro KIAEML