smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCCCCCNC(=O)COC(=O)NCCCC[NH2+]CC[C@@H](N)c1ccccc1 ZINC000027549090 563045964 /nfs/dbraw/zinc/04/59/64/563045964.db2.gz PZKIKCIMHAZDOE-HXUWFJFHSA-N 2 1 463.627 1.123 1 30 JDEFMP C[NH+](C)CCNC(=O)C1(NS(=O)(=O)c2ccc3c(Cl)cnc(NC(N)=[NH2+])c3c2)CCCC1 ZINC000014960851 563008335 /nfs/dbraw/zinc/00/83/35/563008335.db2.gz LDQBNBQEPZPATR-UHFFFAOYSA-N 2 1 482.010 1.062 1 30 JDEFMP NC(=[NH2+])NCCCCCCNC(=O)COC(=O)NCCCC[NH2+]CC[C@H](N)c1ccccc1 ZINC000027549087 563045973 /nfs/dbraw/zinc/04/59/73/563045973.db2.gz PZKIKCIMHAZDOE-FQEVSTJZSA-N 2 1 463.627 1.123 1 30 JDEFMP