smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2ccccc2)c(=O)c1C=[NH+][N-]c1nncc(-c2ccccc2)n1 ZINC000005014631 263337874 /nfs/dbraw/zinc/33/78/74/263337874.db2.gz TXLUASDFBCLQSP-CIAFOILYSA-N -2 2 371.404 3.184 50 30 FGEALL Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)no1 ZINC000000835971 219328927 /nfs/dbraw/zinc/32/89/27/219328927.db2.gz NNTDTSLSEIGTAQ-WOJGMQOQSA-N -2 2 357.391 3.240 50 30 FGEALL CCCCCCCCCCCCN(CP(=O)([O-])O)C[P@@](=O)([O-])O ZINC000100060349 222234741 /nfs/dbraw/zinc/23/47/41/222234741.db2.gz JKCMTSPAYIZSGR-UHFFFAOYSA-N -2 2 373.367 3.480 50 30 FGEALL CCCCCCCCCCCCN(CP(=O)([O-])O)C[P@](=O)([O-])O ZINC000100060349 222234744 /nfs/dbraw/zinc/23/47/44/222234744.db2.gz JKCMTSPAYIZSGR-UHFFFAOYSA-N -2 2 373.367 3.480 50 30 FGEALL