smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2cc3cc(C)c(NC(=O)C[C@H](N)C(=O)NCCCC[NH2+]CCCN)cc3nc2cc1N ZINC000040565581 563145564 /nfs/dbraw/zinc/14/55/64/563145564.db2.gz IKMVOPIKDKOTMA-NRFANRHFSA-N 1 3 479.629 2.078 1 5 JEBFHO Cc1cc2cc3cc(C)c(NC(=O)C[C@@H](N)C(=O)NCCCC[NH2+]CCCN)cc3nc2cc1N ZINC000040565583 563145552 /nfs/dbraw/zinc/14/55/52/563145552.db2.gz IKMVOPIKDKOTMA-OAQYLSRUSA-N 1 3 479.629 2.078 1 5 JEBFHO CN(C)CCn1c(=O)c2ccc3c4c(nn3CC[NH+]3CCCC3)-c3cc([N+](=O)[O-])ccc3-n(c1=O)c42 ZINC000027765053 563051554 /nfs/dbraw/zinc/05/15/54/563051554.db2.gz ICKCVQRKGBQQCK-UHFFFAOYSA-N 1 3 489.536 2.048 1 5 JEBFHO CN(C)CCCNC(=O)c1cccc2c(=O)c3cccc(C(=O)NCCC[NH+](C)C)c3[nH]c12 ZINC000045320481 563188004 /nfs/dbraw/zinc/18/80/04/563188004.db2.gz PEKHUVZFGUMTRT-UHFFFAOYSA-N 1 3 451.571 2.044 1 5 JEBFHO