smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000102748329 838213476 /nfs/dbraw/zinc/21/34/76/838213476.db2.gz IWBNRUDTVKDDNS-UHFFFAOYSA-N -1 1 394.302 3.562 10 5 GHBEMM O=C([O-])CCN(Cc1ccccc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000701223884 976998201 /nfs/dbraw/zinc/99/82/01/976998201.db2.gz SJLIMYUTQDFSSV-UHFFFAOYSA-N -1 1 393.237 3.834 10 5 GHBEMM