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+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040585052 563105473 /nfs/dbraw/zinc/10/54/73/563105473.db2.gz VDVALJIDMKKPHJ-UHFFFAOYSA-N 2 3 444.951 2.335 1 0 IEAFHP CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000064528052 563154667 /nfs/dbraw/zinc/15/46/67/563154667.db2.gz SWPVFHZSTTYORI-NRFANRHFSA-N 2 3 425.662 2.056 1 0 IEAFHP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(CCC[NH3+])CC2)CC1 ZINC000003919860 562939291 /nfs/dbraw/zinc/93/92/91/562939291.db2.gz DMUBQZCKFYYDBF-UHFFFAOYSA-N 2 3 438.016 2.186 1 0 IEAFHP