smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(Nc2cc(C)[nH+]c3c4ccccc4ccc23)cc1 ZINC000003892290 564159620 /nfs/dbraw/zinc/15/96/20/564159620.db2.gz AISVJJDMPJXTDM-UHFFFAOYSA-N 1 1 342.398 5.227 10 5 EKBEMO Cc1cc(Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570881 213352373 /nfs/dbraw/zinc/35/23/73/213352373.db2.gz VIKDDTPQTUVLLX-UHFFFAOYSA-N 1 1 347.296 5.214 10 5 EKBEMO Cc1cc(Nc2cccc([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570911 213352272 /nfs/dbraw/zinc/35/22/72/213352272.db2.gz DWHNZDKDTXNWTE-UHFFFAOYSA-N 1 1 347.296 5.214 10 5 EKBEMO Cc1cc([N+](=O)[O-])ccc1Nc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC000041054704 202470133 /nfs/dbraw/zinc/47/01/33/202470133.db2.gz CGBJTHMUJNBIQZ-UHFFFAOYSA-N 1 1 347.296 5.214 10 5 EKBEMO