smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ccnc1-c1cc(NC(=O)c2ccc(O)c(Cl)c2)[nH]n1 ZINC000119428593 401949347 /nfs/dbraw/zinc/94/93/47/401949347.db2.gz IRGMTPMNCZEZAX-UHFFFAOYSA-N -2 2 317.736 2.422 10 0 DEAELL O=C([O-])c1ccc2c(c1)[nH]c(=O)c(C(=O)c1ccccc1)c2[O-] ZINC000033610240 304253695 /nfs/dbraw/zinc/25/36/95/304253695.db2.gz KPGXCSZAZBGHBK-UHFFFAOYSA-N -2 2 309.277 2.163 10 0 DEAELL