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)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCCc1nn[nH]n1 ZINC001469922602 1069262926 /nfs/dbraw/zinc/26/29/26/1069262926.db2.gz QPWSMXVSLXCCKQ-GWCFXTLKSA-N -2 2 434.419 0.902 20 0 ICADLL CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCCc1nn[nH]n1 ZINC001469922603 1069262722 /nfs/dbraw/zinc/26/27/22/1069262722.db2.gz QPWSMXVSLXCCKQ-GXFFZTMASA-N -2 2 434.419 0.902 20 0 ICADLL