smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[C@]1(N)C[C@H](OC)[C@@H]2[C@H](CC)C[C@H](C(=O)NCc3ccc(C(N)=[NH2+])cc3)N2C1=O ZINC000026741561 563036249 /nfs/dbraw/zinc/03/62/49/563036249.db2.gz ZDEJXRLDHXDDRW-BJVKBHAYSA-N 1 3 441.576 1.665 1 30 IDEFHO C=C(C)C[C@]1(N)C[C@H](OC)[C@@H]2[C@H](CC)C[C@@H](C(=O)NCc3ccc(C(N)=[NH2+])cc3)N2C1=O ZINC000013818747 563009701 /nfs/dbraw/zinc/00/97/01/563009701.db2.gz ZDEJXRLDHXDDRW-ZKXSJOPJSA-N 1 3 441.576 1.665 1 30 IDEFHO