smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCCC(=O)OCC#CC[NH+]1CCCCC1)OCC#CC[NH+]1CCCCC1 ZINC000005382550 568965224 /nfs/dbraw/zinc/96/52/24/568965224.db2.gz KDRHJMIDMFKGPQ-UHFFFAOYSA-N 2 0 402.535 2.222 40 30 HEEBRP C[N+]1(CCCNC2=CC(=O)C(NCCC[N+]3(C)CCCCC3)=CC2=O)CCCCC1 ZINC000104088234 559157788 /nfs/dbraw/zinc/15/77/88/559157788.db2.gz UGXDQSFTXPIJCV-UHFFFAOYSA-P 2 0 418.626 2.126 40 30 HEEBRP