C[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)C1 ZINC000000000189 26/97/58/368269758 WZHCOOQXZCIUNC-BPLDGKMQSA-N 0 276.376 CG 3.478 0 Anodyne ref CGAARN C[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)C1 world COc1ccccc1OC(=O)Oc1ccccc1OC ZINC000000000350 26/97/64/368269764 ORUJFMPWKPVXLZ-UHFFFAOYSA-N 0 274.272 CG 3.282 0 Anodyne ref CGAARN COc1ccccc1OC(=O)Oc1ccccc1OC in-man CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000000000504 26/99/98/368269998 UEQUQVLFIPOEMF-SFHVURJKSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@H+]1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000000000504 26/99/93/368269993 UEQUQVLFIPOEMF-SFHVURJKSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@@H+]1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000000000504 26/99/88/368269988 UEQUQVLFIPOEMF-SFHVURJKSA-N 0 264.372 CG 3.084 0 Anodyne ref CGAARN CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000000000855 26/94/27/368269427 UEQUQVLFIPOEMF-GOSISDBHSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@H+]1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000000000855 26/94/21/368269421 UEQUQVLFIPOEMF-GOSISDBHSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@@H+]1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000000000855 26/94/11/368269411 UEQUQVLFIPOEMF-GOSISDBHSA-N 0 264.372 CG 3.084 0 Anodyne ref CGAARN CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 world CC[C@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000000003955 50/44/92/169504492 AYDXAULLCROVIT-HNNXBMFYSA-N -1 295.338 CG 3.425 0 Anodyne ref CGAARM CC[C@H](C(=O)[O-])c1ccc(N2Cc3ccccc3C2=O)cc1 in-man CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000000007295 09/38/44/277093844 QIALRBLEEWJACW-INIZCTEOSA-N 0 296.326 CG 3.064 0 Anodyne ref CGAARN CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 fda COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000000018056 27/10/64/368271064 QKNDCRMJDZLFEG-UHFFFAOYSA-N 0 252.269 CG 3.469 0 Anodyne ref CGAARN COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 in-vitro biogenic O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000000020243 27/09/57/368270957 HUPFGZXOMWLGNK-UHFFFAOYSA-N -1 250.2 CG 3.036 0 Anodyne ref CGAARM O=C([O-])c1cc(-c2ccc(F)cc2F)ccc1O fda CN(C)CCOC(c1ccccc1)c1ccccc1 ZINC000000020244 27/09/93/368270993 ZZVUWRFHKOJYTH-UHFFFAOYSA-N 0 255.361 CG 3.354 3 Anodyne high CGAAHN CN(C)CCOC(c1ccccc1)c1ccccc1 fda CN(C)CCOC(c1ccccc1)c1ccccc1 ZINC000000020244 27/09/88/368270988 ZZVUWRFHKOJYTH-UHFFFAOYSA-N 1 255.361 CG 3.354 0 Anodyne ref CGAARO C[NH+](C)CCOC(c1ccccc1)c1ccccc1 fda O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000000056527 27/93/82/368279382 YWECCEXWKFHHQJ-UHFFFAOYSA-N -1 260.676 CG 3.269 0 Anodyne ref CGAARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)cc1 in-vitro C[C@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1 ZINC000000057503 28/00/55/368280055 MDKGKXOCJGEUJW-VIFPVBQESA-N -1 260.314 CG 3.167 0 Anodyne ref CGAARM C[C@H](C(=O)[O-])c1ccc(C(=O)c2cccs2)cc1 world C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1 ZINC000000057504 27/92/25/368279225 MDKGKXOCJGEUJW-SECBINFHSA-N -1 260.314 CG 3.167 0 Anodyne ref CGAARM C[C@@H](C(=O)[O-])c1ccc(C(=O)c2cccs2)cc1 world CCOC(=O)c1c(N)sc(C)c1-c1ccccc1 ZINC000000066483 28/16/36/368281636 SXONDAWSQJWZEO-UHFFFAOYSA-N 0 261.346 CG 3.482 0 Anodyne ref CGAARN CCOC(=O)c1c(N)sc(C)c1-c1ccccc1 O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 ZINC000000066629 22/91/39/304229139 MVCLSAMNMAWXFQ-UHFFFAOYSA-N -1 267.284 CG 3.445 0 Anodyne ref CGAARM O=C([O-])c1cc2cc(OCc3ccccc3)ccc2[nH]1 O=C(O)c1cccc2c(Br)cccc12 ZINC000000074123 26/54/63/304265463 SZFXXNVLSUTKJF-UHFFFAOYSA-N -1 251.079 CG 3.301 0 Anodyne ref CGAARM O=C([O-])c1cccc2c(Br)cccc12 COc1cc(OC)c(Br)cc1Br ZINC000000087527 23/94/71/286239471 SVPXSTJZZSDWIA-UHFFFAOYSA-N 0 295.958 CG 3.229 0 Anodyne ref CGAARN COc1cc(OC)c(Br)cc1Br Cc1onc(-c2c(F)cccc2Cl)c1C(=O)O ZINC000000105302 29/06/42/368290642 REIPZLFZMOQHJT-UHFFFAOYSA-N -1 255.632 CG 3.141 0 Anodyne ref CGAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[O-] N#Cc1cc(Br)cc(Br)c1 ZINC000000109929 29/19/40/368291940 QUJGDNCWTBTBQD-UHFFFAOYSA-N 0 260.916 CG 3.083 0 Mild ref CGEARN N#Cc1cc(Br)cc(Br)c1 CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000000120181 12/00/86/277120086 RGPDEAGGEXEMMM-KRWDZBQOSA-N 0 253.345 CG 3.238 1 Anodyne mid CGAAMN CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000000120181 12/00/85/277120085 RGPDEAGGEXEMMM-KRWDZBQOSA-N 1 253.345 CG 3.238 1 Anodyne mid CGAAMO C[N@H+]1CCO[C@@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000000120181 12/00/84/277120084 RGPDEAGGEXEMMM-KRWDZBQOSA-N 1 253.345 CG 3.238 0 Anodyne ref CGAARO C[N@@H+]1CCO[C@@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000000120186 12/84/08/277128408 RGPDEAGGEXEMMM-QGZVFWFLSA-N 0 253.345 CG 3.238 1 Anodyne mid CGAAMN CN1CCO[C@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000000120186 12/84/06/277128406 RGPDEAGGEXEMMM-QGZVFWFLSA-N 1 253.345 CG 3.238 1 Anodyne mid CGAAMO C[N@H+]1CCO[C@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000000120186 12/84/04/277128404 RGPDEAGGEXEMMM-QGZVFWFLSA-N 1 253.345 CG 3.238 0 Anodyne ref CGAARO C[N@@H+]1CCO[C@H](c2ccccc2)c2ccccc2C1 world N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000129269 29/76/51/368297651 HIRCCKPODGFADB-MRXNPFEDSA-N 0 260.296 CG 3.378 1 Mild mid CGEAMN N#CC1c2ccccc2C=CN1C(=O)c1ccccc1 N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000129269 29/76/45/368297645 HIRCCKPODGFADB-MRXNPFEDSA-N 0 260.296 CG 3.378 0 Mild ref CGEARN N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccccc1 N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000129272 07/05/65/283070565 HIRCCKPODGFADB-INIZCTEOSA-N 0 260.296 CG 3.378 1 Mild mid CGEAMN N#CC1c2ccccc2C=CN1C(=O)c1ccccc1 N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000129272 07/05/52/283070552 HIRCCKPODGFADB-INIZCTEOSA-N 0 260.296 CG 3.378 0 Mild ref CGEARN N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccccc1 O=C(NCCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000000134547 29/87/28/368298728 ZTLWJYCDAXUIBK-UHFFFAOYSA-N 0 275.735 CG 3.018 0 Anodyne ref CGAARN O=C(NCCc1ccc(O)cc1)c1ccc(Cl)cc1 in-vitro CCOC(=O)c1cc2cc(Br)ccc2o1 ZINC000000151323 30/40/63/368304063 XLJWAHXKBCDQNP-UHFFFAOYSA-N 0 269.094 CG 3.372 0 Anodyne ref CGAARN CCOC(=O)c1cc2cc(Br)ccc2o1 CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1 ZINC000000155144 30/54/28/368305428 JPIYZTWMUGTEHX-UHFFFAOYSA-N 1 267.376 CG 3.235 0 Anodyne ref CGAARO CN(C)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1 in-vitro O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000155237 26/04/26/296260426 HRPHZUAPQWJPCZ-UHFFFAOYSA-N 0 261.664 CG 3.479 0 Bother ref CGBARN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl O=C(O)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000000156058 22/39/18/304223918 PINBPLCVZSKLTF-UHFFFAOYSA-N -1 258.117 CG 3.422 0 Anodyne ref CGAARM O=C([O-])c1cc(C(F)(F)F)ccc1C(F)(F)F in-vitro O=C(O)c1ccc2ccccc2c1Br ZINC000000156804 25/43/71/304254371 VUVIRKAVBZITDO-UHFFFAOYSA-N -1 251.079 CG 3.301 0 Anodyne ref CGAARM O=C([O-])c1ccc2ccccc2c1Br in-vitro O=C(O)c1cc2cc(Br)ccc2cc1O ZINC000000157736 22/91/04/304229104 XZWXQSGFZHRDNB-UHFFFAOYSA-N -1 267.078 CG 3.006 0 Anodyne ref CGAARM O=C([O-])c1cc2cc(Br)ccc2cc1O Oc1ccc2ccccc2c1I ZINC000000160642 59/24/98/296592498 JEVGGOSILOIIHN-UHFFFAOYSA-N -1 270.069 CG 3.15 3 Anodyne high CGAAHM [O-]c1ccc2ccccc2c1I Oc1ccc2ccccc2c1I ZINC000000160642 59/24/96/296592496 JEVGGOSILOIIHN-UHFFFAOYSA-N 0 270.069 CG 3.15 0 Anodyne ref CGAARN Oc1ccc2ccccc2c1I CC1(C)CCN2CCC(C)(C)c3c(O)c(C=O)cc1c32 ZINC000000163948 09/47/55/281094755 ZBVWJSQPIHQKQJ-UHFFFAOYSA-N 0 273.376 CG 3.374 0 Anodyne ref CGAARN CC1(C)CCN2CCC(C)(C)c3c(O)c(C=O)cc1c32 Cc1cc(Br)cc(Br)c1N ZINC000000222106 66/08/80/291660880 LOOOTYOQFFOBCI-UHFFFAOYSA-N 0 264.948 CG 3.102 0 Anodyne ref CGAARN Cc1cc(Br)cc(Br)c1N Cc1nc(C)c(Br)cc1Br ZINC000000330978 21/21/83/293212183 CTOFYKSVKNMNGB-UHFFFAOYSA-N 0 264.948 CG 3.223 0 Anodyne ref CGAARN Cc1nc(C)c(Br)cc1Br COc1cc(O)cc2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC000000338037 34/33/59/368343359 QQQCWVDPMPFUGF-ZDUSSCGKSA-N -1 270.284 CG 3.107 1 Anodyne mid CGAAMM COc1cc([O-])cc2c1C(=O)C[C@@H](c1ccccc1)O2 in-vitro biogenic COc1cc(O)cc2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC000000338037 34/33/52/368343352 QQQCWVDPMPFUGF-ZDUSSCGKSA-N 0 270.284 CG 3.107 0 Anodyne ref CGAARN COc1cc(O)cc2c1C(=O)C[C@@H](c1ccccc1)O2 in-vitro biogenic CN1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000000388642 90/93/78/391909378 XIJAGFLYYNXCAB-QGZVFWFLSA-N 1 267.372 CG 3.017 1 Anodyne mid CGAAMO C[N@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 CN1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000000388642 90/93/71/391909371 XIJAGFLYYNXCAB-QGZVFWFLSA-N 1 267.372 CG 3.017 0 Anodyne ref CGAARO C[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 COC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000394805 35/65/38/368356538 FPGZHXRPIFVQOL-UHFFFAOYSA-N 0 272.3 CG 3.061 0 Anodyne ref CGAARN COC(=O)c1ccc(OCc2ccccc2)c(OC)c1 COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3 ZINC000000402848 27/31/81/295273181 MKXZASYAUGDDCJ-CGTJXYLNSA-N 1 271.404 CG 3.383 1 Anodyne mid CGAAMO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](C)CC3 world COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3 ZINC000000402848 27/31/77/295273177 MKXZASYAUGDDCJ-CGTJXYLNSA-N 1 271.404 CG 3.383 0 Anodyne ref CGAARO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](C)CC3 world Nc1ccc(Br)cc1C(=O)c1ccccc1F ZINC000000448211 36/87/29/368368729 XCOKDXNGCQXFCV-UHFFFAOYSA-N 0 294.123 CG 3.401 0 Anodyne ref CGAARN Nc1ccc(Br)cc1C(=O)c1ccccc1F in-vitro N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000572828 38/86/06/368388606 CUGXLVXNFZFUFF-ZDUSSCGKSA-N 0 262.15 CG 3.497 3 Anodyne high CGAAHN N[C@@H](c1ccccc1)c1ccc(Br)cc1 N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000572828 38/86/00/368388600 CUGXLVXNFZFUFF-ZDUSSCGKSA-N 1 262.15 CG 3.497 0 Anodyne ref CGAARO [NH3+][C@@H](c1ccccc1)c1ccc(Br)cc1 N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000572829 38/87/12/368388712 CUGXLVXNFZFUFF-CYBMUJFWSA-N 0 262.15 CG 3.497 3 Anodyne high CGAAHN N[C@H](c1ccccc1)c1ccc(Br)cc1 N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000572829 38/87/05/368388705 CUGXLVXNFZFUFF-CYBMUJFWSA-N 1 262.15 CG 3.497 0 Anodyne ref CGAARO [NH3+][C@H](c1ccccc1)c1ccc(Br)cc1 CN(C)CCCC1(O)c2ccccc2CCc2ccccc21 ZINC000000967456 10/97/34/289109734 ONSQUXZPOPTSQF-UHFFFAOYSA-N 1 295.426 CG 3.363 0 Anodyne ref CGAARO C[NH+](C)CCCC1(O)c2ccccc2CCc2ccccc21 Brc1cnc2cc(Br)cnc2c1 ZINC000001020111 91/20/32/391912032 BHEMSCKUFBIJTI-UHFFFAOYSA-N 0 287.942 CG 3.155 0 Anodyne ref CGAARN Brc1cnc2cc(Br)cnc2c1 CC(C)(c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000001111187 00/36/56/260003656 IRWNVNYVNZBWDD-UHFFFAOYSA-N 0 264.332 CG 3.124 0 Anodyne ref CGAARN CC(C)(c1ccccc1)n1nnc(-c2ccccc2)n1 O=C(O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000001237659 28/31/79/304283179 GXFRQLQUKBSYQL-UHFFFAOYSA-N -1 260.891 CG 3.393 0 Anodyne ref CGAARM O=C([O-])c1nc(Cl)c(Cl)c(Cl)c1Cl in-vitro OC(c1ccccc1)(c1ccccc1)[C@H]1CN2CCC1CC2 ZINC000001298962 79/41/01/326794101 PZMAHNDJABQWGS-IBGZPJMESA-N 1 293.41 CG 3.264 0 Anodyne ref CGAARO OC(c1ccccc1)(c1ccccc1)[C@H]1C[NH+]2CCC1CC2 in-man OC(c1ccccc1)(c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000001298963 79/40/25/326794025 PZMAHNDJABQWGS-LJQANCHMSA-N 1 293.41 CG 3.264 0 Anodyne ref CGAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 in-man CCOC(=O)c1cnc2c(F)cc(F)cc2c1Cl ZINC000001391837 70/01/11/169700111 HLIWQEZYRYNMMV-UHFFFAOYSA-N 0 271.65 CG 3.343 0 Anodyne ref CGAARN CCOC(=O)c1cnc2c(F)cc(F)cc2c1Cl CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)CC1 ZINC000001406828 41/35/50/368413550 HTIWISWAPVQGMI-UHFFFAOYSA-N 0 276.38 CG 3.498 0 Anodyne ref CGAARN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)CC1 in-vitro COc1cccc(-c2cc(=O)c3ccccc3o2)c1N ZINC000001420826 41/37/86/368413786 QFWCYNPOPKQOKV-UHFFFAOYSA-N 0 267.284 CG 3.051 0 Anodyne ref CGAARN COc1cccc(-c2cc(=O)c3ccccc3o2)c1N in-vivo O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 ZINC000001433338 26/53/19/280265319 UVCOILFBWYKHHB-UHFFFAOYSA-N 0 288.709 CG 3.269 0 Anodyne ref CGAARN O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 world Brc1cnc(Oc2ccccc2)nc1 ZINC000001497341 44/44/02/416444402 ZFECRMYYOMVREH-UHFFFAOYSA-N 0 251.083 CG 3.031 0 Anodyne ref CGAARN Brc1cnc(Oc2ccccc2)nc1 CCOC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000001509173 41/61/87/368416187 LWRLKENDQISGEU-UHFFFAOYSA-N 0 268.11 CG 3.107 0 Anodyne ref CGAARN CCOC(=O)c1cc2cc(Br)ccc2[nH]1 CCCCCCOc1nsnc1C1=CCCN(C)C1 ZINC000001532358 41/83/12/368418312 JOLJIIDDOBNFHW-UHFFFAOYSA-N 1 281.425 CG 3.216 2 Anodyne low CGAALO CCCCCCOc1nsnc1C1=CCC[N@@H+](C)C1 investigational CCCCCCOc1nsnc1C1=CCCN(C)C1 ZINC000001532358 41/83/06/368418306 JOLJIIDDOBNFHW-UHFFFAOYSA-N 1 281.425 CG 3.216 2 Anodyne low CGAALO CCCCCCOc1nsnc1C1=CCC[N@H+](C)C1 investigational CCCCCCOc1nsnc1C1=CCCN(C)C1 ZINC000001532358 41/82/97/368418297 JOLJIIDDOBNFHW-UHFFFAOYSA-N 0 281.425 CG 3.216 0 Anodyne ref CGAARN CCCCCCOc1nsnc1C1=CCCN(C)C1 investigational CC(C)(C)OC(=O)c1cccc(Br)c1 ZINC000001578061 42/09/60/368420960 NPVLZVSAZXTBSR-UHFFFAOYSA-N 0 257.127 CG 3.404 0 Anodyne ref CGAARN CC(C)(C)OC(=O)c1cccc(Br)c1 ClCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000001604908 18/29/25/560182925 NDQKGEFMUGSRNS-UHFFFAOYSA-N 0 273.207 CG 3.091 1 Reactive mid CGGAMN ClCCCN1CCN(c2cccc(Cl)c2)CC1 in-vitro ClCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000001604908 18/29/24/560182924 NDQKGEFMUGSRNS-UHFFFAOYSA-N 1 273.207 CG 3.091 0 Reactive ref CGGARO ClCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 in-vitro O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001648211 13/80/00/285138000 MWAGUKZCDDRDCS-UHFFFAOYSA-N 0 260.205 CG 3.295 0 Bother ref CGBARN O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 CCCCC(CCCC)(C(=O)OCC)C(=O)OCC ZINC000001648326 42/64/48/368426448 WHKKUUPZLWUOIW-UHFFFAOYSA-N 0 272.385 CG 3.479 0 Anodyne ref CGAARN CCCCC(CCCC)(C(=O)OCC)C(=O)OCC O=C(O)c1cccc2ccc(Br)cc12 ZINC000001673212 26/63/59/304266359 OMVHZFPTYXFWFU-UHFFFAOYSA-N -1 251.079 CG 3.301 0 Anodyne ref CGAARM O=C([O-])c1cccc2ccc(Br)cc12 O=[N+]([O-])c1cc(Br)cc(Br)c1 ZINC000001675954 49/73/59/296497359 ZWBHGBWABMAWOV-UHFFFAOYSA-N 0 280.903 CG 3.12 0 Bother ref CGBARN O=[N+]([O-])c1cc(Br)cc(Br)c1 O=C(O)c1ccc(Br)c2ccccc12 ZINC000001722481 23/28/61/304232861 FIJIPZQZVLCOMB-UHFFFAOYSA-N -1 251.079 CG 3.301 0 Anodyne ref CGAARM O=C([O-])c1ccc(Br)c2ccccc12 O=[N+]([O-])c1ccccc1CCc1ccccc1[N+](=O)[O-] ZINC000001760649 43/79/19/368437919 YBOZRPPSBVIHGJ-UHFFFAOYSA-N 0 272.26 CG 3.288 0 Bother ref CGBARN O=[N+]([O-])c1ccccc1CCc1ccccc1[N+](=O)[O-] C=CCOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000001841166 43/90/37/368439037 GVZIBGFELWPEOC-UHFFFAOYSA-N 0 254.285 CG 3.188 1 Mild mid CGEAMN C=CCOc1ccc(C(=O)c2ccccc2)c(O)c1 C=CCOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000001841166 43/90/28/368439028 GVZIBGFELWPEOC-UHFFFAOYSA-N -1 254.285 CG 3.188 0 Mild ref CGEARM C=CCOc1ccc(C(=O)c2ccccc2)c([O-])c1 CCCC(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl ZINC000002003720 44/39/73/368443973 FQAYODYTZPXLRH-UHFFFAOYSA-N -1 291.13 CG 3.44 0 Anodyne ref CGABRM CCCC(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl CC(C)C(=O)OCC(C)(C)[C@@H](OC(=O)C(C)C)C(C)C ZINC000002029779 44/45/84/368444584 OMVSWZDEEGIJJI-ZDUSSCGKSA-N 0 286.412 CG 3.436 0 Anodyne ref CGAARN CC(C)C(=O)OCC(C)(C)[C@@H](OC(=O)C(C)C)C(C)C in-man CC(C)C(=O)OCC(C)(C)[C@H](OC(=O)C(C)C)C(C)C ZINC000002029780 44/48/11/368444811 OMVSWZDEEGIJJI-CYBMUJFWSA-N 0 286.412 CG 3.436 0 Anodyne ref CGAARN CC(C)C(=O)OCC(C)(C)[C@H](OC(=O)C(C)C)C(C)C in-man COC(=O)c1ccc(/C=C/c2ccc(C(=O)OC)cc2)cc1 ZINC000002149936 77/73/12/169777312 JOODVYOWCWQPMV-ONEGZZNKSA-N 0 296.322 CG 3.43 0 Anodyne ref CGAARN COC(=O)c1ccc(/C=C/c2ccc(C(=O)OC)cc2)cc1 CCOP(=O)(OCC)C(F)(F)Br ZINC000002170209 44/90/51/368449051 QRADKVYIJIAENZ-UHFFFAOYSA-N 0 267.006 CG 3.198 0 Anodyne ref CGAARN CCOP(=O)(OCC)C(F)(F)Br O=C(O)Cc1ccc(C(F)(F)F)cc1Br ZINC000002243209 08/89/00/304088900 VZOPDTMYQJUIIU-UHFFFAOYSA-N -1 283.043 CG 3.095 0 Anodyne ref CGAARM O=C([O-])Cc1ccc(C(F)(F)F)cc1Br O=C(O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002382050 02/36/76/304023676 LFYBNFKZUWTBMM-DUXPYHPUSA-N -1 250.603 CG 3.457 0 Anodyne ref CGAARM O=C([O-])/C=C/c1ccc(Cl)c(C(F)(F)F)c1 C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000002383939 45/29/71/368452971 ZVCMWNFQYIQWSY-NSHDSACASA-N -1 271.357 CG 3.101 0 Mild ref CGEARM C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] N#Cc1ccc(Br)c(C(F)(F)F)c1 ZINC000002384143 45/36/16/368453616 KSXUIQQDHHFSRN-UHFFFAOYSA-N 0 250.017 CG 3.34 0 Mild ref CGEARN N#Cc1ccc(Br)c(C(F)(F)F)c1 CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 ZINC000002386004 45/32/83/368453283 ZTILAOCGFRDHBH-UHFFFAOYSA-N -1 292.356 CG 3.012 1 Anodyne mid CGAAMM CC(C)Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1 CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 ZINC000002386004 45/32/78/368453278 ZTILAOCGFRDHBH-UHFFFAOYSA-N -1 292.356 CG 3.012 0 Anodyne ref CGAARM CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 O=C(c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000002390040 45/51/57/368455157 AYBQWBCUAWOLCT-UHFFFAOYSA-N 0 250.656 CG 3.416 1 Anodyne mid CGAAMN O=C(c1ccc(Cl)cc1)c1cc(F)ccc1O O=C(c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000002390040 45/51/50/368455150 AYBQWBCUAWOLCT-UHFFFAOYSA-N -1 250.656 CG 3.416 0 Anodyne ref CGAARM O=C(c1ccc(Cl)cc1)c1cc(F)ccc1[O-] C=C(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000002524908 46/05/90/368460590 HHWDZLSGDDXUSM-UHFFFAOYSA-N 0 254.211 CG 3.092 0 Mild ref CGEARN C=C(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 O=[N+]([O-])c1cc(Br)ccc1OC(F)(F)F ZINC000002525758 35/62/39/280356239 OIGUXYDXDJIDCY-UHFFFAOYSA-N 0 286.003 CG 3.256 0 Bother ref CGBARN O=[N+]([O-])c1cc(Br)ccc1OC(F)(F)F CCOC(=O)c1cc2cccc(Br)c2[nH]1 ZINC000002539041 80/57/01/169805701 FKIRSCKRJJUCNI-UHFFFAOYSA-N 0 268.11 CG 3.107 0 Anodyne ref CGAARN CCOC(=O)c1cc2cccc(Br)c2[nH]1 O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC000002539082 80/56/73/169805673 IZNVWIXUMIMNSP-UHFFFAOYSA-N -1 273.313 CG 3.082 0 Anodyne ref CGAARM O=S(=O)([O-])c1ccc2[nH]c(-c3ccccc3)cc2c1