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-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCN(C2CCCCC2)CC1 ZINC000064491169 569618058 /nfs/dbraw/zinc/61/80/58/569618058.db2.gz XWQWARRFNPPRND-UHFFFAOYSA-N -2 3 479.549 3.919 10 0 JHAEHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1NCCCN1CCCC1=O ZINC000070451263 569695219 /nfs/dbraw/zinc/69/52/19/569695219.db2.gz CVBSENMAMKNFSW-UHFFFAOYSA-N -2 3 485.484 3.629 10 0 JHAEHL CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C)c(C)c4)ccc3n2)CC1 ZINC000033256365 519860046 /nfs/dbraw/zinc/86/00/46/519860046.db2.gz ABGDPVKBMGTPFW-UHFFFAOYSA-N -2 3 482.606 3.883 10 0 JHAEHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCc3c(C)noc3C)c(C(=O)[O-])c2)cc1 ZINC000021883429 521212236 /nfs/dbraw/zinc/21/22/36/521212236.db2.gz DOCRMHDGQZRLHJ-UHFFFAOYSA-N -2 3 473.551 3.868 10 0 JHAEHL