smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])C1[C@@H](c2ccccc2)C12[C@@H]1CCCC[C@@H]1[C@H]1CCCC[C@@H]12 ZINC000004983011 563993565 /nfs/dbraw/zinc/99/35/65/563993565.db2.gz IMMUHDASDOFRHN-HPHRWDEOSA-N 0 3 325.452 5.042 40 5 EKBBHN O=[N+]([O-])C1[C@H](c2ccccc2)C12[C@@H]1CCCC[C@@H]1[C@H]1CCCC[C@@H]12 ZINC000004983012 210347642 /nfs/dbraw/zinc/34/76/42/210347642.db2.gz IMMUHDASDOFRHN-XFNGJMLVSA-N 0 3 325.452 5.042 40 5 EKBBHN O=[N+]([O-])C1[C@@H](c2ccccc2)C12[C@@H]1CCCC[C@@H]1[C@H]1CCCC[C@@H]12 ZINC000004983013 210348385 /nfs/dbraw/zinc/34/83/85/210348385.db2.gz IMMUHDASDOFRHN-AJHVATBNSA-N 0 3 325.452 5.042 40 5 EKBBHN O=[N+]([O-])C1[C@H](c2ccccc2)C12[C@@H]1CCCC[C@@H]1[C@H]1CCCC[C@@H]12 ZINC000004983014 210347501 /nfs/dbraw/zinc/34/75/01/210347501.db2.gz IMMUHDASDOFRHN-DZEMTXRUSA-N 0 3 325.452 5.042 40 5 EKBBHN