smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NC(=O)N/N=C/[C@@H](CC#N)CN(Cc1ccccc1)Cc1ccccc1 ZINC000016958074 717112386 /nfs/dbraw/zinc/11/23/86/717112386.db2.gz CHOCXJOLMFXXPK-PVPASAESSA-O 1 1 449.579 2.736 40 50 IFGBMO C[N+](C)(C)CC(=O)NC(=O)N/N=C/[C@H](CC#N)CN(Cc1ccccc1)Cc1ccccc1 ZINC000017214990 717113086 /nfs/dbraw/zinc/11/30/86/717113086.db2.gz CHOCXJOLMFXXPK-JEWPKMHUSA-O 1 1 449.579 2.736 40 50 IFGBMO C[N+](C)(C)CC(=O)NC(=O)N/N=C\[C@H](CC#N)CN(Cc1ccccc1)Cc1ccccc1 ZINC000073391210 717134449 /nfs/dbraw/zinc/13/44/49/717134449.db2.gz CHOCXJOLMFXXPK-PXDDYHHSSA-O 1 1 449.579 2.736 40 50 IFGBMO C[N+](C)(C)CC(=O)NC(=O)N/N=C\[C@@H](CC#N)CN(Cc1ccccc1)Cc1ccccc1 ZINC000073391208 717134121 /nfs/dbraw/zinc/13/41/21/717134121.db2.gz CHOCXJOLMFXXPK-MAAPNWIXSA-O 1 1 449.579 2.736 40 50 IFGBMO