COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 ZINC000000001758 53/03/41/425530341 HPNSFSBZBAHARI-RUDMXATFSA-N -1 320.341 DF 2.733 0 Anodyne ref DFAARM COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2 fda biogenic CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1 ZINC000000006300 53/02/00/425530200 HUNXMJYCHXQEGX-UHFFFAOYSA-N 0 305.341 DF 2.641 0 Mild ref DFEARN CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1 fda C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 ZINC000000057278 68/00/77/180680077 JRWZLRBJNMZMFE-ZDUSSCGKSA-N 1 301.386 DF 2.957 0 Clean ref DFCARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1 fda Cc1cc(O[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 ZINC000000134418 37/83/32/301378332 OSMQHNUQCQAYSP-JTQLQIEISA-N -1 302.326 DF 2.832 0 Anodyne ref DFAARM Cc1cc(O[C@@H](C)C(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 Cc1cc(O[C@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 ZINC000000134419 37/81/48/301378148 OSMQHNUQCQAYSP-SNVBAGLBSA-N -1 302.326 DF 2.832 0 Anodyne ref DFAARM Cc1cc(O[C@H](C)C(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 O=S(=O)(CCn1cnc(Cl)c1Cl)c1ccccc1 ZINC000000160948 71/18/16/180711816 BSZIKHZCPRAUTF-UHFFFAOYSA-N 0 305.186 DF 2.664 0 Anodyne ref DFAARN O=S(=O)(CCn1cnc(Cl)c1Cl)c1ccccc1 COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 ZINC000000225028 25/29/14/295252914 BXYDRXXLNSREMP-CVEARBPZSA-N -1 311.337 DF 2.69 0 Anodyne ref DFAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1 COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 ZINC000000225031 22/97/36/295229736 BXYDRXXLNSREMP-JKSUJKDBSA-N -1 311.337 DF 2.69 0 Anodyne ref DFAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1 Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000000314453 55/30/82/425553082 BBMIHOIYNJHKSI-UHFFFAOYSA-N 0 315.804 DF 2.885 0 Anodyne ref DFAARN Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 ZINC000000395532 55/83/77/425558377 VMJKUPWQKZFFCX-UHFFFAOYSA-N 0 313.353 DF 2.669 0 Anodyne ref DFAARN CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 in-vitro Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000000456264 56/14/18/425561418 OTHXPJBIXPWCAS-UHFFFAOYSA-N 0 315.804 DF 2.885 0 Clean ref DFCARN Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 COC(=O)c1ccc(OCc2cc(C=O)ccc2OC)cc1 ZINC000000517398 56/56/65/425565665 CMRKNNHJCWZXEX-UHFFFAOYSA-N 0 300.31 DF 2.873 0 Anodyne ref DFAARN COC(=O)c1ccc(OCc2cc(C=O)ccc2OC)cc1 Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000000618355 57/13/17/425571317 ZZBGVFRBBIAOPT-UHFFFAOYSA-N 0 315.804 DF 2.885 0 Anodyne ref DFAARN Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O ZINC000001385161 57/83/34/425578334 UCIVYNVXNNEYDV-KRWDZBQOSA-N -1 320.348 DF 2.82 0 Anodyne ref DFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 ZINC000001533688 87/12/49/180871249 CHNUOJQWGUIOLD-NFZZJPOKSA-N -1 319.407 DF 2.919 0 Clean ref DFCARM CC(/C=C1\SC(=S)N(CC(=O)[O-])C1=O)=C\c1ccccc1 world O=C(O)COc1ccc2c(c1)O/C(=C/c1cccs1)C2=O ZINC000002330348 59/33/89/425593389 HHFRACDVWIASET-NTUHNPAUSA-N -1 302.307 DF 2.828 0 Mild ref DFEARM O=C([O-])COc1ccc2c(c1)O/C(=C/c1cccs1)C2=O CCOC(=O)C(=Cc1cn(C)c2ccccc12)C(=O)OCC ZINC000002378790 59/26/27/425592627 XSZKOWMCJJXDKR-UHFFFAOYSA-N 0 301.342 DF 2.688 0 Anodyne ref DFAARN CCOC(=O)C(=Cc1cn(C)c2ccccc12)C(=O)OCC COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 ZINC000002944901 25/24/11/295252411 BXYDRXXLNSREMP-HOTGVXAUSA-N -1 311.337 DF 2.69 0 Anodyne ref DFAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1 C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CCC2=O ZINC000003881324 34/86/30/398348630 SGYCSWPEAHDOHE-IJPPCXMXSA-N 0 304.43 DF 2.852 0 Anodyne ref DFAARN C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CCC2=O C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CCC2=O ZINC000003881325 61/70/49/425617049 SGYCSWPEAHDOHE-JLZSVDHQSA-N 0 304.43 DF 2.852 0 Anodyne ref DFAARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@@H]1CCC2=O C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O ZINC000003881326 34/86/09/398348609 SGYCSWPEAHDOHE-HRWPHDMVSA-N 0 304.43 DF 2.852 0 Anodyne ref DFAARN C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O ZINC000003881327 34/83/45/398348345 SGYCSWPEAHDOHE-DTZQYVILSA-N 0 304.43 DF 2.852 0 Anodyne ref DFAARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O Nc1ccc2c3c(cccc13)C(=O)N(c1cccc(O)c1)C2=O ZINC000003882865 61/60/24/425616024 AMXKRNUGTBUCAP-UHFFFAOYSA-N 0 304.305 DF 2.928 0 Anodyne ref DFAARN Nc1ccc2c3c(cccc13)C(=O)N(c1cccc(O)c1)C2=O CCOC(=O)c1cn(CCF)c2c(F)c(F)c(F)cc2c1=O ZINC000003883039 05/22/07/181052207 HDGNABAQEHQIFQ-UHFFFAOYSA-N 0 317.238 DF 2.565 0 Anodyne ref DFAARN CCOC(=O)c1cn(CCF)c2c(F)c(F)c(F)cc2c1=O CCOC(=O)/C=C(\C)NCCC[N+](C)(C)Cc1ccccc1 ZINC000003982509 05/95/35/181059535 AXLHEBMBAUQCEM-UHFFFAOYSA-O 1 305.442 DF 2.71 0 Bother ref DFBARO CCOC(=O)C=C(C)NCCC[N+](C)(C)Cc1ccccc1 C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)O)c(C)c12 ZINC000004387901 10/57/16/181105716 SRBOONZYUSJNMZ-UHFFFAOYSA-N -1 302.326 DF 2.992 0 Mild ref DFEARM C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)[O-])c(C)c12 COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 ZINC000005185224 23/23/06/295232306 BXYDRXXLNSREMP-HZPDHXFCSA-N -1 311.337 DF 2.69 0 Anodyne ref DFAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1 COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O ZINC000005733652 27/89/14/181278914 MBNGWHIJMBWFHU-UHFFFAOYSA-N -2 300.266 DF 2.585 3 Anodyne high DFAAHL COc1ccc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc1O in-man endogenous COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O ZINC000005733652 27/89/13/181278913 MBNGWHIJMBWFHU-UHFFFAOYSA-N 0 300.266 DF 2.585 2 Anodyne low DFAALN COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O in-man endogenous COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O ZINC000005733652 27/89/11/181278911 MBNGWHIJMBWFHU-UHFFFAOYSA-N -2 300.266 DF 2.585 2 Anodyne low DFAALL COc1ccc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc1O in-man endogenous COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O ZINC000005733652 27/89/09/181278909 MBNGWHIJMBWFHU-UHFFFAOYSA-N 0 300.266 DF 2.585 0 Anodyne ref DFAARN COc1ccc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc1O in-man endogenous COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC ZINC000006556076 35/43/13/181354313 KRJPWSDKKBLTLE-UHFFFAOYSA-N -2 314.293 DF 2.888 3 Anodyne high DFAAHL COc1ccc(-c2coc3cc([O-])cc([O-])c3c2=O)cc1OC COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC ZINC000006556076 35/43/10/181354310 KRJPWSDKKBLTLE-UHFFFAOYSA-N 0 314.293 DF 2.888 2 Anodyne low DFAALN COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC ZINC000006556076 35/43/08/181354308 KRJPWSDKKBLTLE-UHFFFAOYSA-N 0 314.293 DF 2.888 2 Anodyne low DFAALN COc1ccc(-c2coc3cc(O)cc(=O)c-3c2O)cc1OC COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC ZINC000006556076 35/43/06/181354306 KRJPWSDKKBLTLE-UHFFFAOYSA-N -1 314.293 DF 2.888 0 Anodyne ref DFAARM COc1ccc(-c2coc3cc([O-])cc(O)c3c2=O)cc1OC C=C(C)COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C ZINC000006645446 36/45/93/181364593 OJSKMJCWTUNWME-UHFFFAOYSA-N -1 302.326 DF 2.992 0 Mild ref DFEARM C=C(C)COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C COc1ccc(CNc2nc(C)c(C(=O)O)s2)cc1OC ZINC000008018820 65/81/01/425658101 GZYXKIIHMVPGFX-UHFFFAOYSA-N -1 308.359 DF 2.779 0 Anodyne ref DFAARM COc1ccc(CNc2nc(C)c(C(=O)[O-])s2)cc1OC COc1ccc(CCNc2nc(C)c(C(=O)O)s2)cc1OC ZINC000008024779 51/99/10/181519910 IROUIXLUDVUIOP-UHFFFAOYSA-N -1 322.386 DF 2.822 0 Anodyne ref DFAARM COc1ccc(CCNc2nc(C)c(C(=O)[O-])s2)cc1OC Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000008701333 67/25/23/425672523 JUCKYURFCJJQEK-UHFFFAOYSA-N 0 321.38 DF 2.977 0 Clean ref DFCARN Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 COc1ccc(-c2c(O)c3ccc(O)cc3oc2=O)cc1OC ZINC000011764653 71/22/05/425712205 QKJMWQMXQVPZBX-UHFFFAOYSA-N 0 314.293 DF 2.888 2 Anodyne low DFAALN COc1ccc(-c2c(O)c3ccc(O)cc3oc2=O)cc1OC COc1ccc(-c2c(O)c3ccc(O)cc3oc2=O)cc1OC ZINC000011764653 71/22/00/425712200 QKJMWQMXQVPZBX-UHFFFAOYSA-N -2 314.293 DF 2.888 1 Anodyne mid DFAAML COc1ccc(-c2c([O-])c3ccc([O-])cc3oc2=O)cc1OC COc1ccc(-c2c(O)c3ccc(O)cc3oc2=O)cc1OC ZINC000011764653 71/21/96/425712196 QKJMWQMXQVPZBX-UHFFFAOYSA-N -1 314.293 DF 2.888 0 Anodyne ref DFAARM COc1ccc(-c2c([O-])c3ccc(O)cc3oc2=O)cc1OC O=C(O)CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 ZINC000011766417 71/28/31/425712831 MYOCZUKWKLGQJB-UHFFFAOYSA-N -1 320.32 DF 2.538 0 Anodyne ref DFAARM O=C([O-])CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 CCn1cc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)c(C)n1 ZINC000012394276 72/48/99/425724899 JUYPSWYUJCLWSK-UHFFFAOYSA-N -1 314.32 DF 2.901 0 Anodyne ref DFAARM CCn1cc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[O-])c(C)n1 NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccco1 ZINC000013548295 75/57/56/425755756 WHAMGDJGAMPYQD-UHFFFAOYSA-N 0 311.366 DF 2.602 0 Mild ref DFEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccco1 COC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000013688444 75/90/71/425759071 SRUFYYDHPARFSS-UHFFFAOYSA-N 0 304.342 DF 2.907 0 Anodyne ref DFAARN COC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O O=C(O)C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2N=C1O ZINC000015085327 78/02/68/425780268 DTULQQINFOBVLB-SECBINFHSA-N -1 305.721 DF 2.896 0 Anodyne ref DFAARM O=C([O-])C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O O=C(O)C[C@H]1Cn2ncc(-c3ccc(Cl)cc3)c2N=C1O ZINC000015085329 77/95/54/425779554 DTULQQINFOBVLB-VIFPVBQESA-N -1 305.721 DF 2.896 0 Anodyne ref DFAARM O=C([O-])C[C@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1CCC(=O)O ZINC000017029002 78/79/01/425787901 QQKGOIYRGRHVAU-UHFFFAOYSA-N -2 311.341 DF 2.736 0 Anodyne ref DFAARL Cc1nc2c(-c3ccccc3)c(C)[n-]n2c(=O)c1CCC(=O)[O-] O=C(O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019832743 15/48/94/182154894 HLPZUWYDUBCWFN-UHFFFAOYSA-N -1 324.424 DF 2.868 3 Anodyne high DFAAHM O=C([O-])CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 O=C(O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019832743 15/48/93/182154893 HLPZUWYDUBCWFN-UHFFFAOYSA-N 0 324.424 DF 2.868 1 Anodyne mid DFAAMN O=C([O-])CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 O=C(O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019832743 15/48/91/182154891 HLPZUWYDUBCWFN-UHFFFAOYSA-N 0 324.424 DF 2.868 0 Anodyne ref DFAARN O=C([O-])CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 O=C(O)c1cc(-c2cccnc2)nc2cc3c(cc12)OCCO3 ZINC000020284642 20/31/26/182203126 KCADBOFODJKLJJ-UHFFFAOYSA-N -1 308.293 DF 2.766 0 Anodyne ref DFAARM O=C([O-])c1cc(-c2cccnc2)nc2cc3c(cc12)OCCO3 Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21 ZINC000034161806 84/26/04/425842604 OHPBREBKPBFZCY-ZDUSSCGKSA-N -1 318.373 DF 2.699 0 Anodyne ref DFAARM Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c2ccccc21 COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1 ZINC000034685245 37/13/83/277371383 PKHHJECXXHOADW-IRXDYDNUSA-N 0 306.365 DF 2.945 0 Anodyne ref DFAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1 COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1 ZINC000034685246 60/61/44/291606144 PKHHJECXXHOADW-DLBZAZTESA-N 0 306.365 DF 2.945 0 Anodyne ref DFAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1 Cc1nc(Nc2ccc(Cn3cncn3)cc2)sc1C(=O)O ZINC000036047706 84/47/39/425844739 XGAFOLPEUDYGIR-UHFFFAOYSA-N -1 315.358 DF 2.533 0 Anodyne ref DFAARM Cc1nc(Nc2ccc(Cn3cncn3)cc2)sc1C(=O)[O-] O=C(O)CCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000036047773 79/32/67/182793267 PEWZJVLKRLYRQV-UHFFFAOYSA-N -1 315.373 DF 2.524 0 Anodyne ref DFAARM O=C([O-])CCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 COc1ccc(-c2noc([C@H](N)CCSC)n2)cc1OC ZINC000036820235 84/64/74/425846474 BRIUMIJNJZMYMY-SNVBAGLBSA-N 1 309.391 DF 2.507 1 Anodyne mid DFAAMO COc1ccc(-c2noc([C@H]([NH3+])CCSC)n2)cc1OC COc1ccc(-c2noc([C@H](N)CCSC)n2)cc1OC ZINC000036820235 84/64/73/425846473 BRIUMIJNJZMYMY-SNVBAGLBSA-N 0 309.391 DF 2.507 0 Anodyne ref DFAARN COc1ccc(-c2noc([C@H](N)CCSC)n2)cc1OC COc1ccc(-c2noc([C@@H](N)CCSC)n2)cc1OC ZINC000036820236 84/57/91/182845791 BRIUMIJNJZMYMY-JTQLQIEISA-N 1 309.391 DF 2.507 1 Anodyne mid DFAAMO COc1ccc(-c2noc([C@@H]([NH3+])CCSC)n2)cc1OC COc1ccc(-c2noc([C@@H](N)CCSC)n2)cc1OC ZINC000036820236 84/57/88/182845788 BRIUMIJNJZMYMY-JTQLQIEISA-N 0 309.391 DF 2.507 0 Anodyne ref DFAARN COc1ccc(-c2noc([C@@H](N)CCSC)n2)cc1OC O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3[nH]ccc3c1)C2=O ZINC000040162874 25/19/21/304251921 ULUJVCWYIXGMKJ-UHFFFAOYSA-N -1 306.277 DF 2.667 0 Anodyne ref DFAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3[nH]ccc3c1)C2=O O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3cc[nH]c3c1)C2=O ZINC000040162875 25/20/00/304252000 ZCEOGPOPBZNXLP-UHFFFAOYSA-N -1 306.277 DF 2.667 0 Anodyne ref DFAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3cc[nH]c3c1)C2=O O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 ZINC000055539466 89/39/78/425893978 YMJMMRCIHUURQI-UHFFFAOYSA-N 0 308.341 DF 2.96 0 Bother ref DFBARN O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 O=C(O)CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000066442615 90/42/08/425904208 NAJDVFPZWFMOTE-UHFFFAOYSA-N -1 302.208 DF 2.652 0 Anodyne ref DFAARM O=C([O-])CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 COc1ccc2nc(I)c(C=O)cc2c1 ZINC000079124172 18/93/21/426189321 AXEFHNZOHBXBNB-UHFFFAOYSA-N 0 313.094 DF 2.661 0 Anodyne ref DFAARN COc1ccc2nc(I)c(C=O)cc2c1 COC(=O)c1c(Br)c(-c2ccc(C)cc2)nn1C ZINC000085863781 25/41/97/426254197 MKTOZMVJRFNHNG-UHFFFAOYSA-N 0 309.163 DF 2.945 0 Anodyne ref DFAARN COC(=O)c1c(Br)c(-c2ccc(C)cc2)nn1C COc1ccc2cc(C=O)c(I)nc2c1 ZINC000095473268 37/38/33/426373833 ROQYRBOLCCOHEF-UHFFFAOYSA-N 0 313.094 DF 2.661 0 Anodyne ref DFAARN COc1ccc2cc(C=O)c(I)nc2c1 CC(C)Cc1cc(C(=O)O)nc2c(-c3ccccc3)c(=O)[nH]n12 ZINC000096118468 39/93/82/426399382 QPHQSLYJTIZYEY-UHFFFAOYSA-N -2 311.341 DF 2.586 1 Anodyne mid DFAAML CC(C)Cc1cc(C(=O)[O-])nc2c(-c3ccccc3)c(=O)[n-]n12 CC(C)Cc1cc(C(=O)O)nc2c(-c3ccccc3)c(=O)[nH]n12 ZINC000096118468 39/93/81/426399381 QPHQSLYJTIZYEY-UHFFFAOYSA-N -1 311.341 DF 2.586 0 Anodyne ref DFAARM CC(C)Cc1cc(C(=O)[O-])nc2c(-c3ccccc3)c(=O)[nH]n12