smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)Cc3cc[nH]n3)N(Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000014990749 525109134 /nfs/dbraw/zinc/10/91/34/525109134.db2.gz MZQBMXGTBNAZNR-YADHBBJMSA-N -1 3 487.025 4.171 10 10 JICEHM CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3cc(Br)c([O-])c(OC)c3)C2=O)cc1 ZINC000013914988 521488788 /nfs/dbraw/zinc/48/87/88/521488788.db2.gz VBBCQZAJKGABEJ-SXGWCWSVSA-N -1 3 459.296 4.146 10 10 JICEHM