smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc([N-]N=C[N+](=O)[O-])cc1 ZINC000039087123 343382110 /nfs/dbraw/zinc/38/21/10/343382110.db2.gz DDNOADCZXQNZJP-KTKRTIGZSA-N -2 1 209.161 1.703 10 10 BDCEML O=C([O-])c1c(F)c(O)c([O-])c(F)c1F ZINC000039096728 384102707 /nfs/dbraw/zinc/10/27/07/384102707.db2.gz YUHVKHYMBFPRNG-UHFFFAOYSA-N -2 1 208.091 1.213 10 10 BDCEML O=C([O-])c1cc(=O)n(-c2ccccc2Cl)[n-]1 ZINC000100051473 384612109 /nfs/dbraw/zinc/61/21/09/384612109.db2.gz CXGIZOHEERRFKI-UHFFFAOYSA-N -2 1 238.630 1.517 10 10 BDCEML