smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC[C@H]1c1ccc[n+](CCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 ZINC000013859941 563012441 /nfs/dbraw/zinc/01/24/41/563012441.db2.gz CWGSBSDVENZCNI-NSOVKSMOSA-N 2 3 436.688 4.836 1 0 IJAFHP c1ccc(CNCCC[NH2+]CCCCCCCC[NH2+]CCCNCc2ccccc2)cc1 ZINC000003781533 562937835 /nfs/dbraw/zinc/93/78/35/562937835.db2.gz ACAZYEPMRWHZOM-UHFFFAOYSA-N 2 3 438.704 4.866 1 0 IJAFHP c1csc(CNCCC[NH2+]CCCCCCC[NH2+]CCCNCc2cccs2)c1 ZINC000027643688 563045086 /nfs/dbraw/zinc/04/50/86/563045086.db2.gz RMHAAKJQTGQTDB-UHFFFAOYSA-N 2 3 436.735 4.599 1 0 IJAFHP