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)CNC(=O)CNC(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O ZINC001152235739 1067279716 /nfs/dbraw/zinc/27/97/16/1067279716.db2.gz FNQQNRBQSSMTGN-UHFFFAOYSA-N -2 0 458.339 -1.129 20 10 JACDRL C[C@H]1[C@H](NC(=O)c2cc(C(=O)[O-])nc3c2-c2[nH]c(C(=O)[O-])cc2C(=O)C3=O)C(=O)N1S(=O)(=O)[O-] ZINC001152236174 1067279813 /nfs/dbraw/zinc/27/98/13/1067279813.db2.gz OLSDJWYRQVOLMQ-MFXDVPHUSA-N -3 0 492.378 -1.016 20 10 JACDRL