COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC ZINC000000538509 30/87/63/206308763 FEZBIKUBAYAZIU-UHFFFAOYSA-N 0 388.464 GF 2.583 3 Anodyne high GFAAHN COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC fda COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC ZINC000000538509 30/87/59/206308759 FEZBIKUBAYAZIU-UHFFFAOYSA-N 1 388.464 GF 2.583 0 Anodyne ref GFAARO COc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC fda COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000000607790 16/40/47/212164047 IAKHMKGGTNLKSZ-MRXNPFEDSA-N 0 399.443 GF 2.872 0 Anodyne ref GFAARN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 fda biogenic COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000000621853 12/60/54/560126054 IAKHMKGGTNLKSZ-INIZCTEOSA-N 0 399.443 GF 2.872 0 Anodyne ref GFAARN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 fda biogenic Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000000622215 21/06/09/570210609 QATHNKNPUVVKHK-UHFFFAOYSA-N 0 388.471 GF 2.873 0 Anodyne ref GFAARN Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C CCOc1cc(C(OC(C)=O)OC(C)=O)c(Br)cc1OC(C)=O ZINC000000647731 25/53/42/209255342 CSJYSIXFTYIDMF-UHFFFAOYSA-N 0 389.198 GF 2.898 0 Anodyne ref GFAARN CCOc1cc(C(OC(C)=O)OC(C)=O)c(Br)cc1OC(C)=O COc1cc(C=O)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000000684602 21/78/61/570217861 YNJZHBBKWZVLKG-UHFFFAOYSA-N 0 378.222 GF 2.965 0 Anodyne ref GFAARN COc1cc(C=O)cc(Br)c1OCC(=O)NCc1ccccc1 O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1cccnc1 ZINC000000706963 21/90/11/570219011 APAWFOQKZZVRKQ-UHFFFAOYSA-N 0 386.502 GF 2.667 0 Anodyne ref GFAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NCc1cccnc1 COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@H]21 ZINC000000754219 17/86/89/560178689 NNRWDPOHSYYGEI-KSSFIOAISA-N -1 378.384 GF 2.74 0 Anodyne ref GFAARM COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)[O-])Cc3c([nH]c4ccccc34)[C@H]21 in-vitro biogenic COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@@H]21 ZINC000000754220 48/81/49/211488149 NNRWDPOHSYYGEI-KBXCAEBGSA-N -1 378.384 GF 2.74 0 Anodyne ref GFAARM COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)[O-])Cc3c([nH]c4ccccc34)[C@@H]21 in-vitro biogenic COc1ccc2c(c1OC)C(=O)N1[C@@H]2c2[nH]c3ccccc3c2C[C@@H]1C(=O)O ZINC000000754221 17/86/98/560178698 NNRWDPOHSYYGEI-KDOFPFPSSA-N -1 378.384 GF 2.74 0 Anodyne ref GFAARM COc1ccc2c(c1OC)C(=O)N1[C@@H]2c2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] in-vitro biogenic COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)O)Cc3c([nH]c4ccccc34)[C@@H]21 ZINC000000754222 17/86/93/560178693 NNRWDPOHSYYGEI-RDTXWAMCSA-N -1 378.384 GF 2.74 0 Anodyne ref GFAARM COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)[O-])Cc3c([nH]c4ccccc34)[C@@H]21 in-vitro biogenic N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(Cc3ccco3)c2nc1C#N ZINC000000791346 26/47/71/209264771 ZETOONFXESCGHE-UHFFFAOYSA-N 0 380.371 GF 2.941 0 Mild ref GFEARN N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(Cc3ccco3)c2nc1C#N O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000794194 93/00/92/570930092 WKLJTSBXAWSUKP-IAGOWNOFSA-N -1 394.493 GF 2.691 0 Anodyne ref GFAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000794195 26/49/25/209264925 WKLJTSBXAWSUKP-IRXDYDNUSA-N -1 394.493 GF 2.691 0 Anodyne ref GFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000794196 22/34/99/570223499 WKLJTSBXAWSUKP-SJORKVTESA-N -1 394.493 GF 2.691 0 Anodyne ref GFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(O)cc1 ZINC000000807876 32/32/96/206323296 ORNQRLYERZYSMG-GOSISDBHSA-N 0 377.404 GF 2.92 0 Anodyne ref GFAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(O)cc1 COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O)cc1 ZINC000000807877 26/83/21/209268321 ORNQRLYERZYSMG-SFHVURJKSA-N 0 377.404 GF 2.92 0 Anodyne ref GFAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(O)cc1 COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000841937 27/23/41/209272341 JBDRPXUSKDZWCL-HNNXBMFYSA-N -1 379.434 GF 2.507 0 Anodyne ref GFAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1OC COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000841938 27/22/41/209272241 JBDRPXUSKDZWCL-OAHLLOKOSA-N -1 379.434 GF 2.507 0 Anodyne ref GFAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1OC CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 ZINC000000856663 22/72/18/570227218 FMJOKPRBXJEFND-IKVWTGGYSA-N 0 376.449 GF 2.63 0 Anodyne ref GFAARN CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1O ZINC000000955875 28/37/37/209283737 FALJBSTUCBLZKU-GOSISDBHSA-N 0 377.404 GF 2.92 0 Anodyne ref GFAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1O COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1O ZINC000000955876 33/75/04/206337504 FALJBSTUCBLZKU-SFHVURJKSA-N 0 377.404 GF 2.92 0 Anodyne ref GFAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1O COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br ZINC000000967101 09/14/18/551091418 SSZLYZCVDHZVBX-BJMVGYQFSA-N -1 388.264 GF 2.744 0 Clean ref GFCARM COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1Br COc1cc(/C=N/O)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000001002032 99/80/35/521998035 DXJMGRIEZURNNE-KEBDBYFISA-N -1 393.237 GF 2.961 1 Mild mid GFEAMM COc1cc(/C=N/[O-])c(Br)cc1OCC(=O)NCc1ccccc1 COc1cc(/C=N/O)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000001002032 99/80/12/521998012 DXJMGRIEZURNNE-KEBDBYFISA-N 0 393.237 GF 2.961 0 Mild ref GFEARN COc1cc(/C=N/O)c(Br)cc1OCC(=O)NCc1ccccc1 COc1cc(C=O)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000001135080 35/69/27/206356927 FGVKGEQTUYCTAV-UHFFFAOYSA-N 0 378.222 GF 2.965 0 Anodyne ref GFAARN COc1cc(C=O)c(Br)cc1OCC(=O)NCc1ccccc1 COc1cc(C(OC(C)=O)OC(C)=O)c(Br)cc1OC(C)=O ZINC000001135615 35/73/55/206357355 YKVPXVLWBWJLED-UHFFFAOYSA-N 0 375.171 GF 2.508 0 Anodyne ref GFAARN COc1cc(C(OC(C)=O)OC(C)=O)c(Br)cc1OC(C)=O Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1 ZINC000001274299 95/27/10/570952710 NGQPDYMWUYRQOL-UHFFFAOYSA-N 0 389.415 GF 2.757 0 Anodyne ref GFAARN Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1 O=C(O)CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001749052 25/57/37/212255737 FNMNNCNYRVYYJS-YPKPFQOOSA-N -1 376.459 GF 2.855 0 Clean ref GFCARM O=C([O-])CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S Nc1nc(SCCCC(=O)NCCCO)nc2sc3c(c12)CCCC3 ZINC000001830514 34/03/11/209340311 IDYOGSVFDZGUQD-UHFFFAOYSA-N 0 380.539 GF 2.523 0 Anodyne ref GFAARN Nc1nc(SCCCC(=O)NCCCO)nc2sc3c(c12)CCCC3 COc1ccccc1NC(=O)COc1c(Br)cc(CO)cc1OC ZINC000002554768 36/98/03/209369803 KNROIMZCUVWMHQ-UHFFFAOYSA-N 0 396.237 GF 2.976 0 Anodyne ref GFAARN COc1ccccc1NC(=O)COc1c(Br)cc(CO)cc1OC CCOc1cc(C=O)c(Br)c(Br)c1OCC(=O)OC ZINC000002775177 38/41/93/209384193 MWQOJJOSKMEDTO-UHFFFAOYSA-N 0 396.031 GF 2.975 0 Anodyne ref GFAARN CCOc1cc(C=O)c(Br)c(Br)c1OCC(=O)OC CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OCC)c1 ZINC000002779910 72/28/18/205722818 ZFRADCKUZMYEJX-INIZCTEOSA-N 0 376.434 GF 2.614 0 Anodyne ref GFABRN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(O)c(OCC)c1 CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OCC)c1 ZINC000002779911 50/67/81/208506781 ZFRADCKUZMYEJX-MRXNPFEDSA-N 0 376.434 GF 2.614 0 Anodyne ref GFABRN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(O)c(OCC)c1 O=[N+]([O-])c1cc(I)c(O)c(I)c1 ZINC000003861130 45/70/44/209457044 UVGTXNPVQOQFQW-UHFFFAOYSA-N -1 390.902 GF 2.51 0 Bother ref GFBARM O=[N+]([O-])c1cc(I)c([O-])c(I)c1 in-vitro CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccccc1 ZINC000004177287 36/11/82/570361182 FMJOKPRBXJEFND-OOSNJVJTSA-N 0 376.449 GF 2.63 0 Anodyne ref GFAARN CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccccc1 Nc1cc2c(cc1C(=O)c1ccccc1I)OCCO2 ZINC000004342592 36/97/83/570369783 WAEDKJZDLYIPSR-UHFFFAOYSA-N 0 381.169 GF 2.876 0 Anodyne ref GFAARN Nc1cc2c(cc1C(=O)c1ccccc1I)OCCO2 Nc1cc2c(cc1C(=O)c1cccc(I)c1)OCCO2 ZINC000004342649 36/96/52/570369652 GCPIEQGRZRNYSZ-UHFFFAOYSA-N 0 381.169 GF 2.876 0 Anodyne ref GFAARN Nc1cc2c(cc1C(=O)c1cccc(I)c1)OCCO2 COc1ccc(CCNc2cc(N3CCNCC3)ccc2[N+](=O)[O-])cc1OC ZINC000004344179 67/57/95/570675795 FNPQQLNNZBRUCA-UHFFFAOYSA-N 0 386.452 GF 2.676 3 Bother high GFBAHN COc1ccc(CCNc2cc(N3CCNCC3)ccc2[N+](=O)[O-])cc1OC COc1ccc(CCNc2cc(N3CCNCC3)ccc2[N+](=O)[O-])cc1OC ZINC000004344179 67/57/91/570675791 FNPQQLNNZBRUCA-UHFFFAOYSA-N 1 386.452 GF 2.676 0 Bother ref GFBARO COc1ccc(CCNc2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])cc1OC Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(Oc2ccccc2)cc1 ZINC000004386370 73/06/25/570730625 BFJIFSCJNNGNPD-UHFFFAOYSA-N 0 387.399 GF 2.766 0 Anodyne ref GFAARN Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccc(Oc2ccccc2)cc1 O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O ZINC000004559279 38/45/64/570384564 WKLJTSBXAWSUKP-DLBZAZTESA-N -1 394.493 GF 2.691 0 Anodyne ref GFAARM O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCC[C@H]1C(=O)[O-] COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nn1 ZINC000004732544 39/92/69/570399269 AMDBSEGWFWMIHT-XDHOZWIPSA-N -2 384.417 GF 2.742 3 Mild high GFEAHL COc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3[O-])cc2)nn1 COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nn1 ZINC000004732544 39/92/65/570399265 AMDBSEGWFWMIHT-XDHOZWIPSA-N 0 384.417 GF 2.742 2 Mild low GFEALN COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nn1 COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nn1 ZINC000004732544 39/92/58/570399258 AMDBSEGWFWMIHT-XDHOZWIPSA-N -1 384.417 GF 2.742 0 Mild ref GFEARM COc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nn1 O=C(COc1ccc(Br)cc1C(=O)O)NCCc1ccccc1 ZINC000004811013 07/68/05/204076805 ZHGPPJWOCCBCMH-UHFFFAOYSA-N -1 378.222 GF 2.885 0 Anodyne ref GFAARM O=C(COc1ccc(Br)cc1C(=O)[O-])NCCc1ccccc1 CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000004949328 41/94/58/570419458 UIWCYFRHVIRNJY-CQSZACIVSA-N -1 396.852 GF 2.877 3 Anodyne high GFAAHM CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(Cl)c([O-])c(OC)c1 CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000004949328 41/94/56/570419456 UIWCYFRHVIRNJY-CQSZACIVSA-N 0 396.852 GF 2.877 0 Anodyne ref GFAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(Cl)c(O)c(OC)c1 CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000004949329 41/94/54/570419454 UIWCYFRHVIRNJY-AWEZNQCLSA-N -1 396.852 GF 2.877 3 Anodyne high GFAAHM CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cc(Cl)c([O-])c(OC)c1 CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000004949329 41/94/52/570419452 UIWCYFRHVIRNJY-AWEZNQCLSA-N 0 396.852 GF 2.877 0 Anodyne ref GFAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cc(Cl)c(O)c(OC)c1 COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1OC ZINC000004954402 41/99/23/570419923 FNNFAEUEMHYZNE-CQSZACIVSA-N -1 389.404 GF 2.667 0 Anodyne ref GFAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1OC ZINC000004954404 41/98/39/570419839 FNNFAEUEMHYZNE-AWEZNQCLSA-N -1 389.404 GF 2.667 0 Anodyne ref GFAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC Cc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1 ZINC000005003407 65/27/89/570652789 OGOOAJPJYFTVEY-UHFFFAOYSA-N 0 396.402 GF 2.508 0 Anodyne ref GFABRN Cc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1 O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NCc1ccco1 ZINC000005093146 09/67/22/551096722 QRMHFQGFENDMSB-UHFFFAOYSA-N 0 375.475 GF 2.865 0 Anodyne ref GFAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NCc1ccco1 N=C(N)NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000005513194 09/77/50/551097750 OLWLDZPNUDXNPP-FBCYGCLPSA-N 1 387.248 GF 2.621 2 Mild low GFEALO NC(=[NH2+])NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 N=C(N)NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000005513194 09/77/48/551097748 OLWLDZPNUDXNPP-FBCYGCLPSA-N 0 387.248 GF 2.621 2 Mild low GFEALN N=C(N)NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 N=C(N)NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000005513194 09/77/41/551097741 OLWLDZPNUDXNPP-FBCYGCLPSA-N -1 387.248 GF 2.621 0 Mild ref GFEARM N=C(N)NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 ZINC000010233752 37/58/27/206375827 SCJCCZXFNOVSNJ-UHFFFAOYSA-N 0 389.39 GF 2.78 0 Anodyne ref GFAARN Cc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 Cc1cccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 ZINC000010233753 32/29/90/209322990 DYAJCVLCUFQUFM-UHFFFAOYSA-N 0 389.39 GF 2.78 0 Anodyne ref GFAARN Cc1cccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 Cc1ccccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 ZINC000010233754 37/53/20/206375320 HUZUGIXEPKLDJX-UHFFFAOYSA-N 0 389.39 GF 2.78 0 Anodyne ref GFAARN Cc1ccccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 O=C1C=C/C(=C(\c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)O)C=C1O ZINC000012375263 96/04/58/526960458 HGPSVOAVAYJEIJ-UNOMPAQXSA-N -1 386.381 GF 2.727 0 Mild ref GFEBRM O=C1C=CC(=C(c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)[O-])CC1=O COC(=O)COc1c(Br)cc(/C=C/C(=O)O)cc1Br ZINC000012394664 65/26/83/570652683 XPQKGLMVKYJGIJ-NSCUHMNNSA-N -1 394.015 GF 2.861 0 Anodyne ref GFAARM COC(=O)COc1c(Br)cc(/C=C/C(=O)[O-])cc1Br CCOC(=O)Cn1nc(C)c2c(C(=O)OC)cc(-c3ccc(OC)cc3)nc21 ZINC000012396738 65/27/99/570652799 UHFPTVSUPQKHBL-UHFFFAOYSA-N 0 383.404 GF 2.765 0 Anodyne ref GFAARN CCOC(=O)Cn1nc(C)c2c(C(=O)OC)cc(-c3ccc(OC)cc3)nc21 CCOC(=O)[C@@H]1CCCN(c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)n2)C1 ZINC000012397021 65/28/22/570652822 CXBZDVHMIBWCJB-GFCCVEGCSA-N 0 397.401 GF 2.984 0 Anodyne ref GFAARN CCOC(=O)[C@@H]1CCCN(c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)n2)C1 CCOC(=O)[C@H]1CCCN(c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)n2)C1 ZINC000012397023 65/27/16/570652716 CXBZDVHMIBWCJB-LBPRGKRZSA-N 0 397.401 GF 2.984 0 Anodyne ref GFAARN CCOC(=O)[C@H]1CCCN(c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)n2)C1 CCOC(=O)C1=NO[C@H](c2cc3c(c(OC)c2Br)OCO3)[C@@H]1C ZINC000012412887 19/05/33/221190533 ODWJTUZFEIWPAS-KRTXAFLBSA-N 0 386.198 GF 2.813 0 Anodyne ref GFAARN CCOC(=O)C1=NO[C@H](c2cc3c(c(OC)c2Br)OCO3)[C@@H]1C CCOC(=O)C1=NO[C@@H](c2cc3c(c(OC)c2Br)OCO3)[C@@H]1C ZINC000012412889 19/06/05/221190605 ODWJTUZFEIWPAS-JMCQJSRRSA-N 0 386.198 GF 2.813 0 Anodyne ref GFAARN CCOC(=O)C1=NO[C@@H](c2cc3c(c(OC)c2Br)OCO3)[C@@H]1C CCOC(=O)C1=NO[C@H](c2cc3c(c(OC)c2Br)OCO3)[C@H]1C ZINC000012412891 65/63/21/570656321 ODWJTUZFEIWPAS-MADCSZMMSA-N 0 386.198 GF 2.813 0 Anodyne ref GFAARN CCOC(=O)C1=NO[C@H](c2cc3c(c(OC)c2Br)OCO3)[C@H]1C CCOC(=O)C1=NO[C@@H](c2cc3c(c(OC)c2Br)OCO3)[C@H]1C ZINC000012412893 65/63/48/570656348 ODWJTUZFEIWPAS-JVXZTZIISA-N 0 386.198 GF 2.813 0 Anodyne ref GFAARN CCOC(=O)C1=NO[C@@H](c2cc3c(c(OC)c2Br)OCO3)[C@H]1C CCOC(=O)c1c(N)sc2c1CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000012413825 65/68/44/570656844 SHZNHJWXPHRWRT-UHFFFAOYSA-N 0 380.491 GF 2.562 0 Anodyne ref GFAARN CCOC(=O)c1c(N)sc2c1CCN(S(=O)(=O)c1ccc(C)cc1)C2 COc1cc(/C=N/O)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000013108817 10/84/49/551108449 FSQVHLHHCYBKHC-KEBDBYFISA-N -1 393.237 GF 2.961 3 Mild high GFEAHM COc1cc(/C=N/[O-])cc(Br)c1OCC(=O)NCc1ccccc1 COc1cc(/C=N/O)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000013108817 10/84/42/551108442 FSQVHLHHCYBKHC-KEBDBYFISA-N 0 393.237 GF 2.961 0 Mild ref GFEARN COc1cc(/C=N/O)cc(Br)c1OCC(=O)NCc1ccccc1 CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 ZINC000013151690 48/46/96/204484696 FMJOKPRBXJEFND-WIRSXHRWSA-N 0 376.449 GF 2.63 0 Anodyne ref GFAARN CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccccc1 CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccccc1 ZINC000013151692 05/38/19/210053819 FMJOKPRBXJEFND-NYUBLWNDSA-N 0 376.449 GF 2.63 0 Anodyne ref GFAARN CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccccc1 COc1ccc(C2=NO[C@@H](Cc3c(C=O)c(OC)c4c(c3OC)OCO4)C2)cc1 ZINC000014988163 32/47/35/221324735 LJXGUUUALGDXJW-AWEZNQCLSA-N 0 399.399 GF 2.989 0 Anodyne ref GFAARN COc1ccc(C2=NO[C@@H](Cc3c(C=O)c(OC)c4c(c3OC)OCO4)C2)cc1 COc1ccc(C2=NO[C@H](Cc3c(C=O)c(OC)c4c(c3OC)OCO4)C2)cc1 ZINC000014988166 32/44/11/221324411 LJXGUUUALGDXJW-CQSZACIVSA-N 0 399.399 GF 2.989 0 Anodyne ref GFAARN COc1ccc(C2=NO[C@H](Cc3c(C=O)c(OC)c4c(c3OC)OCO4)C2)cc1 CCOC(=O)c1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000040448003 60/27/79/570602779 FWXJEPAOOJMRIB-UHFFFAOYSA-N 1 378.469 GF 2.795 2 Anodyne low GFAALO CCOC(=O)c1ccc(OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 CCOC(=O)c1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000040448003 60/27/73/570602773 FWXJEPAOOJMRIB-UHFFFAOYSA-N 0 378.469 GF 2.795 0 Anodyne ref GFAARN CCOC(=O)c1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 COC(=O)CCNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000041097938 07/69/32/205076932 KQGIAQIZOZRYJQ-UHFFFAOYSA-N 0 383.832 GF 2.854 0 Anodyne ref GFAARN COC(=O)CCNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl CCCSc1ncc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)OC)n1 ZINC000041156652 80/00/30/210800030 TVOBWUWCBINLLG-JTQLQIEISA-N 0 377.919 GF 2.657 0 Anodyne ref GFAARN CCCSc1ncc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)OC)n1 CCCSc1ncc(Cl)c(C(=O)N[C@H](CCSC)C(=O)OC)n1 ZINC000041156655 07/81/42/205078142 TVOBWUWCBINLLG-SNVBAGLBSA-N 0 377.919 GF 2.657 0 Anodyne ref GFAARN CCCSc1ncc(Cl)c(C(=O)N[C@H](CCSC)C(=O)OC)n1 CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCNCC2)n1 ZINC000048623062 66/00/51/570660051 IVACHXWDVWAIFL-GOSISDBHSA-N 1 379.508 GF 2.526 0 Anodyne ref GFAARO CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 CN(C)c1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CCNCC2)n1 ZINC000048623066 66/00/83/570660083 IVACHXWDVWAIFL-SFHVURJKSA-N 1 379.508 GF 2.526 0 Anodyne ref GFAARO CN(C)c1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 COC(=O)CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 ZINC000048623187 66/01/43/570660143 GHULGCPYLOPNRQ-HZPDHXFCSA-N 0 377.437 GF 2.778 0 Anodyne ref GFAARN COC(=O)CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 COC(=O)CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 ZINC000048623191 66/00/94/570660094 GHULGCPYLOPNRQ-JKSUJKDBSA-N 0 377.437 GF 2.778 0 Anodyne ref GFAARN COC(=O)CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 COC(=O)CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 ZINC000048623195 66/01/98/570660198 GHULGCPYLOPNRQ-CVEARBPZSA-N 0 377.437 GF 2.778 0 Anodyne ref GFAARN COC(=O)CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 COC(=O)CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 ZINC000048623199 85/79/20/210857920 GHULGCPYLOPNRQ-HOTGVXAUSA-N 0 377.437 GF 2.778 0 Anodyne ref GFAARN COC(=O)CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 CCCCCCCCCCCC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)O ZINC000100500104 98/38/85/519983885 RCJRJPPOMCHVHQ-CABCVRRESA-N -1 398.543 GF 2.504 0 Mild ref GFEBRM CCCCCCCCCCCC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-] CCCCCCCCCCCC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)O ZINC000100500106 98/34/25/519983425 RCJRJPPOMCHVHQ-GJZGRUSLSA-N -1 398.543 GF 2.504 0 Mild ref GFEBRM CCCCCCCCCCCC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-] CCCCCCCCCCCC(=O)O[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)O ZINC000100500108 98/35/17/519983517 RCJRJPPOMCHVHQ-HUUCEWRRSA-N -1 398.543 GF 2.504 0 Mild ref GFEBRM CCCCCCCCCCCC(=O)O[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)[O-] CCCCCCCCCCCC(=O)O[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)O ZINC000100500110 98/44/43/519984443 RCJRJPPOMCHVHQ-LSDHHAIUSA-N -1 398.543 GF 2.504 0 Mild ref GFEBRM CCCCCCCCCCCC(=O)O[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)[O-]