smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000005807633 717102206 /nfs/dbraw/zinc/10/22/06/717102206.db2.gz RPMYPUJLESTHHA-YJZSVRAESA-O 2 0 404.579 2.398 40 50 HEGBRP CC[NH+](CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000017211457 717112268 /nfs/dbraw/zinc/11/22/68/717112268.db2.gz RPMYPUJLESTHHA-VZMLSGIISA-O 2 0 404.579 2.398 40 50 HEGBRP CC[NH+](CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000017211460 717112470 /nfs/dbraw/zinc/11/24/70/717112470.db2.gz RPMYPUJLESTHHA-NWUSPQHDSA-O 2 0 404.579 2.398 40 50 HEGBRP CC[NH+](CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000005807643 717102050 /nfs/dbraw/zinc/10/20/50/717102050.db2.gz RPMYPUJLESTHHA-CBTVAOKPSA-O 2 0 404.579 2.398 40 50 HEGBRP