smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cccc(Cl)c1[O-] ZINC000550106607 450603179 /nfs/dbraw/zinc/60/31/79/450603179.db2.gz GDSWFFGMIARNDZ-UHFFFAOYSA-N -2 1 336.171 3.639 20 0 EHADML O=C([O-])NCc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000739992291 600293521 /nfs/dbraw/zinc/29/35/21/600293521.db2.gz SNRZSTRLELNSGC-UHFFFAOYSA-N -2 1 336.347 3.565 20 0 EHADML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000738542260 601047038 /nfs/dbraw/zinc/04/70/38/601047038.db2.gz VOJQZURWDZPWBR-UHFFFAOYSA-N -2 1 347.436 3.792 20 0 EHADML Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])sc1C(=O)[O-] ZINC000320722364 970705597 /nfs/dbraw/zinc/70/55/97/970705597.db2.gz WBYRSPYTUHQLBD-UHFFFAOYSA-N -2 1 327.361 3.866 20 0 EHADML O=C(N=c1nc(-c2ccccc2)[n-]s1)Nc1ccc([O-])c(Cl)c1 ZINC000486247122 1040015695 /nfs/dbraw/zinc/01/56/95/1040015695.db2.gz YRDKUFCLVDYXTR-UHFFFAOYSA-N -2 1 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