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)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCSC ZINC000096921286 185391737 /nfs/dbraw/zinc/39/17/37/185391737.db2.gz YXYLWAIFXDRBQA-VHSXEESVSA-N 2 2 300.384 -0.310 1 0 DBAFLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCSC ZINC000096921286 185391738 /nfs/dbraw/zinc/39/17/38/185391738.db2.gz YXYLWAIFXDRBQA-VHSXEESVSA-N 2 2 300.384 -0.310 1 0 DBAFLP