smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1C)C[NH+](CC(=O)N/N=C\c1cccs1)C2 ZINC000008336807 398372264 /nfs/dbraw/zinc/37/22/64/398372264.db2.gz WGKCKYVIUKCHNQ-LSCVHKIXSA-N 1 2 313.426 2.831 40 50 DFGBLO Cc1ccc(C(=O)N/[NH+]=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000008043348 398368646 /nfs/dbraw/zinc/36/86/46/398368646.db2.gz PMPOLYYYWDYWSO-XSFVSMFZSA-N 1 2 323.396 2.596 40 50 DFGBLO Cc1cc2c(cc1C)C[NH+](CC(=O)N/N=C/c1ccccc1)C2 ZINC000008336800 398372091 /nfs/dbraw/zinc/37/20/91/398372091.db2.gz SYGDBOKVTBTBAJ-KEBDBYFISA-N 1 2 307.397 2.769 40 50 DFGBLO N#CC(C#N)=C1c2ccccc2N(C[NH+]2CCCCCC2)C1=O ZINC000059488430 264020697 /nfs/dbraw/zinc/02/06/97/264020697.db2.gz MMMKOHAKJLTTEM-UHFFFAOYSA-N 1 2 306.369 2.667 40 50 DFGBLO