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+]1CCN(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000217030185 557167264 /nfs/dbraw/zinc/16/72/64/557167264.db2.gz KNSBKVRWGAAXET-UHFFFAOYSA-N 2 2 427.420 2.959 40 70 IFIBLP CN1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000217030185 557167270 /nfs/dbraw/zinc/16/72/70/557167270.db2.gz KNSBKVRWGAAXET-UHFFFAOYSA-N 2 2 427.420 2.959 40 70 IFIBLP