smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CCCC3)ccc(NCCN3CCCC3)c21 ZINC000031425374 563108017 /nfs/dbraw/zinc/10/80/17/563108017.db2.gz KHPLFNDNOYWFSO-UHFFFAOYSA-N 0 3 464.566 2.889 10 10 JFCEHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc3c(c1)CCCN3C)CC2 ZINC000014753033 523802703 /nfs/dbraw/zinc/80/27/03/523802703.db2.gz ARBWGHGHIVZZSR-UHFFFAOYSA-N 0 3 477.609 2.909 10 10 JFCEHN