smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000217030301 568470284 /nfs/dbraw/zinc/47/02/84/568470284.db2.gz GDTMVIJVUHIKTA-UHFFFAOYSA-N 2 1 412.405 4.054 40 70 HIIBMP C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000217030076 568470381 /nfs/dbraw/zinc/47/03/81/568470381.db2.gz PDNMWUMTFNDCSO-UHFFFAOYSA-N 2 1 412.405 4.054 40 70 HIIBMP C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000217029957 568470321 /nfs/dbraw/zinc/47/03/21/568470321.db2.gz AMPVFHWTZGFNJU-UHFFFAOYSA-N 2 1 412.405 4.054 40 70 HIIBMP C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000217030239 568470266 /nfs/dbraw/zinc/47/02/66/568470266.db2.gz KNYXWKHKARUXOE-UHFFFAOYSA-N 2 1 412.405 4.054 40 70 HIIBMP