smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-])c1ccc(O)cc1 ZINC000026279186 563030653 /nfs/dbraw/zinc/03/06/53/563030653.db2.gz IANQPCDRQJGCOP-JTDSTZFVSA-N 0 1 443.456 0.606 1 10 ICCFMN C=C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000040575974 563105283 /nfs/dbraw/zinc/10/52/83/563105283.db2.gz VSQGMOICBPIZKB-FRBMMBRRSA-N 0 1 426.429 0.374 1 10 ICCFMN