smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000039797693 570853968 /nfs/dbraw/zinc/85/39/68/570853968.db2.gz IBMVEYRWAWIOTN-RWMBFGLXSA-N 0 3 384.481 -1.026 10 30 GAEEHN CC(C)C[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000060580087 570401366 /nfs/dbraw/zinc/40/13/66/570401366.db2.gz IBMVEYRWAWIOTN-YNEHKIRRSA-N 0 3 384.481 -1.026 10 30 GAEEHN