smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCCCCCCCC[NH3+] ZINC000013818271 181375504 /nfs/dbraw/zinc/37/55/04/181375504.db2.gz ZLXQTPFBWNCSHE-UHFFFAOYSA-N 2 3 229.412 2.004 10 0 BEAEHP CC(C)[NH2+]CCCCCN(C)CCC[NH+](C)C ZINC000104195928 167101918 /nfs/dbraw/zinc/10/19/18/167101918.db2.gz CCXGJZPOPIJQAK-UHFFFAOYSA-N 2 3 243.439 2.038 10 0 BEAEHP