COc1c2c(c(OC)c3occc13)O[C@](O)(C(F)(F)F)CC2=O ZINC000000236293 33/93/52/471339352 AFRKOYFFPJYBHL-ZDUSSCGKSA-N 0 332.23 EF 2.666 2 Anodyne low EFAALN COc1c2c(c(OC)c3occc13)O[C@](O)(C(F)(F)F)C=C2O COc1c2c(c(OC)c3occc13)O[C@](O)(C(F)(F)F)CC2=O ZINC000000236293 33/93/44/471339344 AFRKOYFFPJYBHL-ZDUSSCGKSA-N -1 332.23 EF 2.666 0 Anodyne ref EFAARM COc1c2c(c(OC)c3occc13)O[C@](O)(C(F)(F)F)C=C2[O-] COc1c2c(c(OC)c3occc13)O[C@@](O)(C(F)(F)F)CC2=O ZINC000000236295 90/89/36/294908936 AFRKOYFFPJYBHL-CYBMUJFWSA-N 0 332.23 EF 2.666 2 Anodyne low EFAALN COc1c2c(c(OC)c3occc13)O[C@@](O)(C(F)(F)F)C=C2O COc1c2c(c(OC)c3occc13)O[C@@](O)(C(F)(F)F)CC2=O ZINC000000236295 90/89/34/294908934 AFRKOYFFPJYBHL-CYBMUJFWSA-N -1 332.23 EF 2.666 0 Anodyne ref EFAARM COc1c2c(c(OC)c3occc13)O[C@@](O)(C(F)(F)F)C=C2[O-] O=C(O)C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000000249143 08/11/88/304081188 PKPITNALFNRYTK-NWDGAFQWSA-N -1 331.29 EF 2.914 0 Anodyne ref EFAARM O=C([O-])C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 O=C(O)C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000000249146 07/32/66/304073266 PKPITNALFNRYTK-VXGBXAGGSA-N -1 331.29 EF 2.914 0 Anodyne ref EFAARM O=C([O-])C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 O=C(O)C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000000249150 08/11/98/304081198 PKPITNALFNRYTK-RYUDHWBXSA-N -1 331.29 EF 2.914 0 Anodyne ref EFAARM O=C([O-])C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 O=C(O)C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000000249152 34/06/60/471340660 PKPITNALFNRYTK-NEPJUHHUSA-N -1 331.29 EF 2.914 0 Anodyne ref EFAARM O=C([O-])C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1 ZINC000000336023 34/80/21/471348021 KTHPCIRABJFDML-UHFFFAOYSA-N 0 347.426 EF 2.768 3 Anodyne high EFAAHN c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1 c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1 ZINC000000336023 34/80/08/471348008 KTHPCIRABJFDML-UHFFFAOYSA-N 1 347.426 EF 2.768 0 Anodyne ref EFAARO c1ccc(Nc2nc(Nc3ccccc3)nc(N3CC[NH2+]CC3)n2)cc1 COc1ccc(CN2Cc3cccc(C(=O)O)c3C2=O)cc1OC ZINC000001304670 38/49/09/471384909 RBCMSWHIMFOXRR-UHFFFAOYSA-N -1 327.336 EF 2.558 0 Anodyne ref EFAARM COc1ccc(CN2Cc3cccc(C(=O)[O-])c3C2=O)cc1OC NC(=S)N1N=C(c2ccc3ccccc3c2)C[C@]1(O)C(F)(F)F ZINC000001414092 74/39/66/209743966 BFIHTGKTKGWHSR-AWEZNQCLSA-N 0 339.342 EF 2.744 0 Anodyne ref EFAARN NC(=S)N1N=C(c2ccc3ccccc3c2)C[C@]1(O)C(F)(F)F NC(=S)N1N=C(c2ccc3ccccc3c2)C[C@@]1(O)C(F)(F)F ZINC000001414093 74/39/94/209743994 BFIHTGKTKGWHSR-CQSZACIVSA-N 0 339.342 EF 2.744 0 Anodyne ref EFAARN NC(=S)N1N=C(c2ccc3ccccc3c2)C[C@@]1(O)C(F)(F)F CCOC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2N)n1 ZINC000001415827 38/98/25/471389825 DOFFLOJNSVUPDL-UHFFFAOYSA-N 0 332.36 EF 2.894 0 Anodyne ref EFAARN CCOC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2N)n1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCc2ccccc2C1 ZINC000004143372 80/32/37/304803237 BBMODURIERVVDV-UHFFFAOYSA-N 0 338.411 EF 2.567 3 Bother high EFBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCc2ccccc2C1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCc2ccccc2C1 ZINC000004143372 80/32/36/304803236 BBMODURIERVVDV-UHFFFAOYSA-N 1 338.411 EF 2.567 0 Bother ref EFBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CCc2ccccc2C1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCc1ccccc1 ZINC000004182966 66/28/88/135662888 LIMYVGPNCAUDCT-UHFFFAOYSA-N 0 326.4 EF 2.659 3 Bother high EFBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCc1ccccc1 O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCc1ccccc1 ZINC000004182966 66/28/87/135662887 LIMYVGPNCAUDCT-UHFFFAOYSA-N 1 326.4 EF 2.659 0 Bother ref EFBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCCc1ccccc1 O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1)c1ccccc1 ZINC000004815963 67/20/55/527672055 SIGRKHFIAKDQIG-QGZVFWFLSA-N 0 337.375 EF 2.647 1 Mild mid EFEAMN O=C1C(=O)N(CCCO)[C@H](c2ccccc2)C1C(=O)c1ccccc1 O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1)c1ccccc1 ZINC000004815963 67/20/45/527672045 SIGRKHFIAKDQIG-QGZVFWFLSA-N 0 337.375 EF 2.647 0 Mild ref EFEARN O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1)c1ccccc1 O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1)c1ccccc1 ZINC000004815965 67/25/17/527672517 SIGRKHFIAKDQIG-KRWDZBQOSA-N 0 337.375 EF 2.647 1 Mild mid EFEAMN O=C1C(=O)N(CCCO)[C@@H](c2ccccc2)C1C(=O)c1ccccc1 O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1)c1ccccc1 ZINC000004815965 67/25/16/527672516 SIGRKHFIAKDQIG-KRWDZBQOSA-N 0 337.375 EF 2.647 0 Mild ref EFEARN O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1)c1ccccc1 CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccccc1 ZINC000017730792 96/34/03/471963403 IINIQSYJRNTYTO-INIZCTEOSA-N -1 331.368 EF 2.616 0 Mild ref EFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]1c1ccccc1 CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccccc1 ZINC000018098006 96/95/63/471969563 IINIQSYJRNTYTO-MRXNPFEDSA-N -1 331.368 EF 2.616 0 Mild ref EFEARM CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]1c1ccccc1 NCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314848 11/77/41/212117741 QQUYQNNIPJFHGU-KRWDZBQOSA-N 1 336.391 EF 2.614 1 Mild mid EFEBMO [NH3+]CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 NCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314848 11/77/39/212117739 QQUYQNNIPJFHGU-KRWDZBQOSA-N 1 336.391 EF 2.614 0 Mild ref EFEBRO [NH3+]CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 NCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314853 23/00/61/295230061 QQUYQNNIPJFHGU-QGZVFWFLSA-N 1 336.391 EF 2.614 1 Mild mid EFEBMO [NH3+]CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1 NCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314853 23/00/51/295230051 QQUYQNNIPJFHGU-QGZVFWFLSA-N 1 336.391 EF 2.614 0 Mild ref EFEBRO [NH3+]CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 C[C@@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314896 03/82/54/202038254 GWZPLKZYTXNBKM-DYVFJYSZSA-N 1 336.391 EF 2.612 1 Mild mid EFEBMO C[C@@H]([NH3+])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 C[C@@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314896 03/82/51/202038251 GWZPLKZYTXNBKM-DYVFJYSZSA-N 1 336.391 EF 2.612 0 Mild ref EFEBRO C[C@@H]([NH3+])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 C[C@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314901 03/77/21/202037721 GWZPLKZYTXNBKM-GUYCJALGSA-N 1 336.391 EF 2.612 1 Mild mid EFEBMO C[C@H]([NH3+])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 C[C@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314901 03/77/16/202037716 GWZPLKZYTXNBKM-GUYCJALGSA-N 1 336.391 EF 2.612 0 Mild ref EFEBRO C[C@H]([NH3+])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 C[C@@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314906 02/00/27/296020027 GWZPLKZYTXNBKM-CXAGYDPISA-N 1 336.391 EF 2.612 1 Mild mid EFEBMO C[C@@H]([NH3+])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1 C[C@@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314906 02/00/26/296020026 GWZPLKZYTXNBKM-CXAGYDPISA-N 1 336.391 EF 2.612 0 Mild ref EFEBRO C[C@@H]([NH3+])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 C[C@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314911 11/88/06/212118806 GWZPLKZYTXNBKM-SUMWQHHRSA-N 1 336.391 EF 2.612 1 Mild mid EFEBMO C[C@H]([NH3+])CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1 C[C@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314911 11/88/04/212118804 GWZPLKZYTXNBKM-SUMWQHHRSA-N 1 336.391 EF 2.612 0 Mild ref EFEBRO C[C@H]([NH3+])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314934 18/10/05/296181005 DSZWRZHMKJHMRW-DYVFJYSZSA-N 0 337.375 EF 2.646 0 Mild ref EFEBRN C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000020314939 46/58/12/299465812 DSZWRZHMKJHMRW-GUYCJALGSA-N 0 337.375 EF 2.646 0 Mild ref EFEBRN C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314943 18/09/71/296180971 DSZWRZHMKJHMRW-CXAGYDPISA-N 0 337.375 EF 2.646 0 Mild ref EFEBRN C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000020314948 11/90/07/212119007 DSZWRZHMKJHMRW-SUMWQHHRSA-N 0 337.375 EF 2.646 0 Mild ref EFEBRN C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 O=C(O)c1nnsc1NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000022130394 27/81/33/212278133 FWMXYNUWEOFCJF-UHFFFAOYSA-N -1 346.412 EF 2.723 0 Anodyne ref EFAARM O=C([O-])c1nnsc1NC(=O)N1CCC(Cc2ccccc2)CC1 NC(=S)N1N=C(c2cccc3ccccc23)C[C@@]1(O)C(F)(F)F ZINC000033373316 98/40/94/471984094 DTAOSKOVTHQZOK-CQSZACIVSA-N 0 339.342 EF 2.744 0 Anodyne ref EFABRN NC(=S)N1N=C(c2cccc3ccccc23)C[C@@]1(O)C(F)(F)F NC(=S)N1N=C(c2cccc3ccccc23)C[C@]1(O)C(F)(F)F ZINC000033373317 98/43/09/471984309 DTAOSKOVTHQZOK-AWEZNQCLSA-N 0 339.342 EF 2.744 0 Anodyne ref EFABRN NC(=S)N1N=C(c2cccc3ccccc23)C[C@]1(O)C(F)(F)F COc1ccc([C@H]2OC(=O)c3ccccc3[C@@H]2C(=O)O)cc1OC ZINC000033413945 98/48/41/471984841 BMTCHQQQAYQVCF-JKSUJKDBSA-N -1 328.32 EF 2.784 0 Anodyne ref EFABRM COc1ccc([C@H]2OC(=O)c3ccccc3[C@@H]2C(=O)[O-])cc1OC COc1ccc([C@H]2OC(=O)c3ccccc3[C@@H]2C(=O)O)c(OC)c1 ZINC000033413947 26/08/80/202260880 WHHDZMQHFXCOQG-JKSUJKDBSA-N -1 328.32 EF 2.784 0 Anodyne ref EFABRM COc1ccc([C@H]2OC(=O)c3ccccc3[C@@H]2C(=O)[O-])c(OC)c1 COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccccc1)OC2=O ZINC000033413971 98/42/68/471984268 MQGJYXXOWMHVOK-JKSUJKDBSA-N -1 328.32 EF 2.784 0 Anodyne ref EFABRM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccccc1)OC2=O COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1cccs1)OC2=O ZINC000033413992 26/07/40/202260740 ZJEJXRXCEOMKJR-UONOGXRCSA-N -1 334.349 EF 2.845 0 Anodyne ref EFABRM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cccs1)OC2=O CCOC(=O)c1nnsc1-c1cn(-c2ccc(Cl)cc2)nn1 ZINC000095079674 27/38/55/218273855 AYQFLEZFDQFXCA-UHFFFAOYSA-N 0 335.776 EF 2.616 0 Anodyne ref EFABRN CCOC(=O)c1nnsc1-c1cn(-c2ccc(Cl)cc2)nn1 Cc1ccc(/C(O)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100404919 52/73/33/472527333 OQDIRCOBCMCRAM-FOCLMDBBSA-N -1 336.347 EF 2.856 2 Anodyne low EFABLM Cc1ccc(C([O-])=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(/C(O)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100404919 52/73/30/472527330 OQDIRCOBCMCRAM-FOCLMDBBSA-N -2 336.347 EF 2.856 0 Anodyne ref EFABRL Cc1ccc(C([O-])=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(/C(O)=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100404920 52/71/15/472527115 OQDIRCOBCMCRAM-NXVVXOECSA-N -1 336.347 EF 2.856 2 Anodyne low EFABLM Cc1ccc(C([O-])=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(/C(O)=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100404920 52/71/05/472527105 OQDIRCOBCMCRAM-NXVVXOECSA-N -2 336.347 EF 2.856 0 Anodyne ref EFABRL Cc1ccc(C([O-])=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(N2C(=O)NC(=O)/C(=C(\O)c3ccc(F)cc3)C2=O)cc1 ZINC000100404924 52/71/45/472527145 FVXCAMWHPZSXFI-CCEZHUSRSA-N -2 340.31 EF 2.686 0 Anodyne ref EFABRL Cc1ccc(N2C(=O)[N-]C(=O)C(=C([O-])c3ccc(F)cc3)C2=O)cc1 O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C(/O)c1ccccc1 ZINC000100404982 52/73/25/472527325 YXUYERRLAGMPFX-BUHFOSPRSA-N -1 342.738 EF 2.892 2 Anodyne low EFABLM O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=C([O-])c1ccccc1 O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C(/O)c1ccccc1 ZINC000100404982 52/73/18/472527318 YXUYERRLAGMPFX-BUHFOSPRSA-N -2 342.738 EF 2.892 0 Anodyne ref EFABRL O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=C([O-])c1ccccc1