smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(Cc3ccccc3[O-])C2)nn1 ZINC000012190797 555937764 /nfs/dbraw/zinc/93/77/64/555937764.db2.gz JASOXPNAIAWFPN-CTNGQTDRSA-N -1 3 467.501 2.084 10 10 JECEHM