O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000000001785 50/78/02/371507802 FTVWIRXFELQLPI-CYBMUJFWSA-N -1 272.256 CF 2.51 1 Anodyne mid CFAAMM O=C1C[C@H](c2ccc(O)cc2)Oc2cc([O-])cc(O)c21 in-vitro biogenic O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000000001785 50/77/98/371507798 FTVWIRXFELQLPI-CYBMUJFWSA-N 0 272.256 CF 2.51 0 Anodyne ref CFAARN O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 in-vitro biogenic COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1 ZINC000000002200 50/75/28/371507528 TVYLLZQTGLZFBW-GOEBONIOSA-N 1 263.381 CF 2.635 0 Anodyne ref CFAARO COc1cccc([C@]2(O)CCCC[C@H]2C[NH+](C)C)c1 in-man NC(=O)N1c2ccccc2CC(=O)c2ccccc21 ZINC000000004724 06/72/32/295067232 CTRLABGOLIVAIY-UHFFFAOYSA-N 0 252.273 CF 2.642 0 Anodyne ref CFAARN NC(=O)N1c2ccccc2CC(=O)c2ccccc21 fda Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 ZINC000000004778 28/38/41/302283841 NQDJXKOVJZTUJA-UHFFFAOYSA-N 0 266.304 CF 2.651 0 Anodyne ref CFAARN Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 fda CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000000009073 50/76/03/371507603 VMWNQDUVQKEIOC-CYBMUJFWSA-N 0 267.328 CF 2.85 1 Clean mid CFCAMN CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 fda biogenic CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000000009073 50/76/00/371507600 VMWNQDUVQKEIOC-CYBMUJFWSA-N 1 267.328 CF 2.85 1 Clean mid CFCAMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 fda biogenic CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000000009073 50/75/95/371507595 VMWNQDUVQKEIOC-CYBMUJFWSA-N 1 267.328 CF 2.85 0 Clean ref CFCARO C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 fda biogenic CC(C)NC[C@@H](O)COc1cccc2ccccc12 ZINC000000020240 50/96/89/371509689 AQHHHDLHHXJYJD-CQSZACIVSA-N 1 259.349 CF 2.578 0 Anodyne ref CFAARO CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12 fda Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 ZINC000000020251 50/94/49/371509449 MRBDMNSDAVCSSF-UHFFFAOYSA-N 1 281.359 CF 2.84 0 Anodyne ref CFAARO Cc1ccc(N(CC2=[NH+]CCN2)c2cccc(O)c2)cc1 fda N[C@H](CC(=O)O)c1ccc(OCc2ccccc2)cc1 ZINC000000031181 50/98/39/169509839 VODMAXQPPKRFPS-OAHLLOKOSA-N 0 271.316 CF 2.74 0 Anodyne ref CFAARN [NH3+][C@H](CC(=O)[O-])c1ccc(OCc2ccccc2)cc1 O=C(O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000000033969 51/24/71/371512471 ZBDXJNSQBIUHPE-UHFFFAOYSA-N -1 258.302 CF 2.69 0 Anodyne ref CFAARM O=C([O-])Cc1csc2nc(-c3ccccc3)cn12 O=C(O)c1cc(-c2cccnc2)nc2ccccc12 ZINC000000035836 51/19/18/169511918 XQNXXNNXRWYNAS-UHFFFAOYSA-N -1 250.257 CF 2.995 0 Anodyne ref CFAARM O=C([O-])c1cc(-c2cccnc2)nc2ccccc12 CCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 ZINC000000038189 51/34/73/371513473 CJWZEJBAZIUQNX-UHFFFAOYSA-N 0 268.32 CF 2.71 0 Anodyne ref CFAARN CCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 CC(C)NC[C@H](O)COc1cccc2ccccc12 ZINC000000056556 51/82/11/371518211 AQHHHDLHHXJYJD-AWEZNQCLSA-N 1 259.349 CF 2.578 0 Anodyne ref CFAARO CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12 fda biogenic Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000000063429 65/88/55/291658855 XHXMPURWMSJENN-UHFFFAOYSA-N 0 255.317 CF 2.8 0 Anodyne ref CFAARN Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3 in-vitro Cc1cc(N)n(-c2ccc(Br)cc2)n1 ZINC000000065243 44/62/17/393446217 RJJCTMOVFLIPEH-UHFFFAOYSA-N 0 252.115 CF 2.525 0 Anodyne ref CFAARN Cc1cc(N)n(-c2ccc(Br)cc2)n1 O=C(O)c1cc(-c2ccncc2)nc2ccccc12 ZINC000000065268 52/22/56/371522256 IBXRRNLSWGROLA-UHFFFAOYSA-N -1 250.257 CF 2.995 0 Anodyne ref CFAARM O=C([O-])c1cc(-c2ccncc2)nc2ccccc12 in-vitro O=C1CC(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000000078209 52/52/05/371525205 ZFIMUSUHAOSEIE-UHFFFAOYSA-N 0 296.351 CF 2.741 2 Anodyne low CFAALN O=c1cc(O)n(-c2ccccc2)c(=S)n1-c1ccccc1 O=C1CC(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000000078209 52/51/92/371525192 ZFIMUSUHAOSEIE-UHFFFAOYSA-N -1 296.351 CF 2.741 0 Anodyne ref CFAARM O=c1cc([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 Cc1c(C=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 ZINC000000083132 53/92/01/291539201 ZBZZGJPDANZGGV-UHFFFAOYSA-N 0 283.327 CF 2.613 0 Anodyne ref CFAARN Cc1c(C=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 O=C(O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000000086113 13/77/53/304137753 DYBHDSFTPGYWFY-IUCAKERBSA-N -1 278.16 CF 2.782 0 Anodyne ref CFAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Cl)cc2Cl)N1 O=C(O)[C@@H]1CS[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000000086116 52/70/23/371527023 DYBHDSFTPGYWFY-DTWKUNHWSA-N -1 278.16 CF 2.782 0 Anodyne ref CFAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(Cl)cc2Cl)N1 O=C(O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000000087958 53/21/34/169532134 TWESYTWUFWEEIU-LBPRGKRZSA-N -1 297.31 CF 2.916 0 Anodyne ref CFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 O=C(O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000000087961 53/20/60/169532060 TWESYTWUFWEEIU-GFCCVEGCSA-N -1 297.31 CF 2.916 0 Anodyne ref CFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 Cc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000000092509 52/79/78/371527978 BGHFCLLPFXATNV-UHFFFAOYSA-N 0 257.215 CF 2.662 0 Anodyne ref CFAARN Cc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1 Cc1cc(C)nc(SCc2ccc(C(=O)O)o2)n1 ZINC000000122958 54/40/59/169544059 HWENPASLBBETFY-UHFFFAOYSA-N -1 264.306 CF 2.677 0 Anodyne ref CFAARM Cc1cc(C)nc(SCc2ccc(C(=O)[O-])o2)n1 COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 ZINC000000123858 53/57/89/371535789 BZKIIAKIAMJABI-UHFFFAOYSA-N -1 271.272 CF 2.646 0 Anodyne ref CFAARM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000128078 92/95/33/277929533 HMKDPQCXNBOIEW-SFHVURJKSA-N 0 299.37 CF 2.948 3 Anodyne high CFAAHN COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000128078 92/95/30/277929530 HMKDPQCXNBOIEW-SFHVURJKSA-N 1 299.37 CF 2.948 0 Anodyne ref CFAARO COc1ccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000128081 53/72/44/371537244 HMKDPQCXNBOIEW-GOSISDBHSA-N 0 299.37 CF 2.948 3 Anodyne high CFAAHN COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1 COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000128081 53/72/39/371537239 HMKDPQCXNBOIEW-GOSISDBHSA-N 1 299.37 CF 2.948 0 Anodyne ref CFAARO COc1ccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)O)ccc12 ZINC000000134426 53/96/72/371539672 ROYPNRGGAUKENS-VIFPVBQESA-N -1 276.288 CF 2.597 0 Anodyne ref CFAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])ccc12 CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)O)ccc12 ZINC000000134430 53/96/07/371539607 ROYPNRGGAUKENS-SECBINFHSA-N -1 276.288 CF 2.597 0 Anodyne ref CFAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])ccc12 CCOC(=O)c1c(C)nc2c([C@H]3CCCN3C)cccn12 ZINC000000134533 54/04/35/371540435 AVXVXRXGZMJEJY-CYBMUJFWSA-N 0 287.363 CF 2.586 3 Anodyne high CFAAHN CCOC(=O)c1c(C)nc2c([C@H]3CCCN3C)cccn12 CCOC(=O)c1c(C)nc2c([C@H]3CCCN3C)cccn12 ZINC000000134533 54/04/30/371540430 AVXVXRXGZMJEJY-CYBMUJFWSA-N 1 287.363 CF 2.586 1 Anodyne mid CFAAMO CCOC(=O)c1c(C)nc2c([C@H]3CCC[N@H+]3C)cccn12 CCOC(=O)c1c(C)nc2c([C@H]3CCCN3C)cccn12 ZINC000000134533 54/04/25/371540425 AVXVXRXGZMJEJY-CYBMUJFWSA-N 1 287.363 CF 2.586 0 Anodyne ref CFAARO CCOC(=O)c1c(C)nc2c([C@H]3CCC[N@@H+]3C)cccn12 CCOC(=O)c1c(C)nc2c([C@@H]3CCCN3C)cccn12 ZINC000000134536 54/03/31/371540331 AVXVXRXGZMJEJY-ZDUSSCGKSA-N 0 287.363 CF 2.586 3 Anodyne high CFAAHN CCOC(=O)c1c(C)nc2c([C@@H]3CCCN3C)cccn12 CCOC(=O)c1c(C)nc2c([C@@H]3CCCN3C)cccn12 ZINC000000134536 54/03/25/371540325 AVXVXRXGZMJEJY-ZDUSSCGKSA-N 1 287.363 CF 2.586 1 Anodyne mid CFAAMO CCOC(=O)c1c(C)nc2c([C@@H]3CCC[N@H+]3C)cccn12 CCOC(=O)c1c(C)nc2c([C@@H]3CCCN3C)cccn12 ZINC000000134536 54/03/19/371540319 AVXVXRXGZMJEJY-ZDUSSCGKSA-N 1 287.363 CF 2.586 0 Anodyne ref CFAARO CCOC(=O)c1c(C)nc2c([C@@H]3CCC[N@@H+]3C)cccn12 O=C(O)[C@@H]1CS[C@@H](c2cccc3ccccc23)N1 ZINC000000138361 53/95/71/371539571 WSGHWUWDWJRTFR-STQMWFEESA-N 0 259.33 CF 2.628 2 Anodyne low CFAALN O=C([O-])[C@@H]1CS[C@@H](c2cccc3ccccc23)[NH2+]1 O=C(O)[C@@H]1CS[C@@H](c2cccc3ccccc23)N1 ZINC000000138361 53/95/67/371539567 WSGHWUWDWJRTFR-STQMWFEESA-N -1 259.33 CF 2.628 0 Anodyne ref CFAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc3ccccc23)N1 O=C(O)[C@@H]1CS[C@H](c2cccc3ccccc23)N1 ZINC000000138363 13/78/30/304137830 WSGHWUWDWJRTFR-QWHCGFSZSA-N 0 259.33 CF 2.628 2 Anodyne low CFAALN O=C([O-])[C@@H]1CS[C@H](c2cccc3ccccc23)[NH2+]1 O=C(O)[C@@H]1CS[C@H](c2cccc3ccccc23)N1 ZINC000000138363 13/78/25/304137825 WSGHWUWDWJRTFR-QWHCGFSZSA-N -1 259.33 CF 2.628 0 Anodyne ref CFAARM O=C([O-])[C@@H]1CS[C@H](c2cccc3ccccc23)N1 Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN ZINC000000140731 54/16/95/371541695 DPXCGYZETKLAHZ-UHFFFAOYSA-N 1 258.243 CF 2.876 0 Anodyne ref CFAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CC[NH3+] COc1ccc(C(=O)c2ccccc2C(=O)O)cc1 ZINC000000143992 55/28/27/169552827 UIUCGMLLTRXRBF-UHFFFAOYSA-N -1 256.257 CF 2.624 0 Anodyne ref CFAARM COc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1 in-man endogenous O=C(O)[C@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)C1 ZINC000000151475 54/39/54/371543954 LXKWYTKIUHCPEF-HNNXBMFYSA-N -1 295.338 CF 2.709 0 Anodyne ref CFAARM O=C([O-])[C@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)C1 O=C(O)[C@@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)C1 ZINC000000151476 54/38/55/371543855 LXKWYTKIUHCPEF-OAHLLOKOSA-N -1 295.338 CF 2.709 0 Anodyne ref CFAARM O=C([O-])[C@@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)C1 O=C(O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000160510 54/49/38/371544938 XTMFADOEDNSWOV-FNORWQNLSA-N -1 259.217 CF 2.953 0 Bother ref CFBARM O=C([O-])/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=C(O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000000161643 54/53/89/371545389 BRSCYENHLCPOAU-UHFFFAOYSA-N -1 267.328 CF 2.792 3 Anodyne high CFAAHM O=C([O-])C1CN(C(c2ccccc2)c2ccccc2)C1 in-vitro O=C(O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000000161643 54/53/88/371545388 BRSCYENHLCPOAU-UHFFFAOYSA-N 0 267.328 CF 2.792 0 Anodyne ref CFAARN O=C([O-])C1C[NH+](C(c2ccccc2)c2ccccc2)C1 in-vitro Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000166223 54/67/54/371546754 PZWVVLZWQWIEAV-UHFFFAOYSA-N 0 267.376 CF 2.591 3 Clean high CFCAHN Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000166223 54/67/48/371546748 PZWVVLZWQWIEAV-UHFFFAOYSA-N 1 267.376 CF 2.591 0 Clean ref CFCARO Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 Nc1nccc(-c2ccc(Br)s2)n1 ZINC000000168115 54/64/07/371546407 KXVXIEVIIDZAHN-UHFFFAOYSA-N 0 256.128 CF 2.55 0 Anodyne ref CFAARN Nc1nccc(-c2ccc(Br)s2)n1 COc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl ZINC000000178814 39/83/26/277398326 OXCYKAHSAZUSBK-UHFFFAOYSA-N 0 274.711 CF 2.665 0 Anodyne ref CFAARN COc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl O=c1cc(-c2ccccc2)c2cc(O)c(O)cc2o1 ZINC000000186764 55/27/80/371552780 TZRNJQYCOSMOJS-UHFFFAOYSA-N -1 254.241 CF 2.871 1 Clean mid CFCAMM O=c1cc(-c2ccccc2)c2cc(O)c([O-])cc2o1 in-vitro biogenic O=c1cc(-c2ccccc2)c2cc(O)c(O)cc2o1 ZINC000000186764 55/27/69/371552769 TZRNJQYCOSMOJS-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Clean ref CFCARN O=c1cc(-c2ccccc2)c2cc(O)c(O)cc2o1 in-vitro biogenic CCOc1ccc([C@H](N)CC(=O)O)c2ccccc12 ZINC000000203432 55/78/65/371557865 RAUZHNFVXCYZRQ-CYBMUJFWSA-N 0 259.305 CF 2.713 0 Anodyne ref CFAARN CCOc1ccc([C@H]([NH3+])CC(=O)[O-])c2ccccc12 CCOc1ccc([C@@H](N)CC(=O)O)c2ccccc12 ZINC000000203435 55/79/09/371557909 RAUZHNFVXCYZRQ-ZDUSSCGKSA-N 0 259.305 CF 2.713 0 Anodyne ref CFAARN CCOc1ccc([C@@H]([NH3+])CC(=O)[O-])c2ccccc12 Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccccc1 ZINC000000225650 57/97/81/169579781 QYNZGJLWUKHLGP-UHFFFAOYSA-N 0 296.124 CF 2.911 0 Bother ref CFBARN Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccccc1 N[C@H](CC(=O)O)c1cccc(Oc2ccccc2)c1 ZINC000000265981 57/35/56/371573556 DOHHGYXZPWMNKT-CQSZACIVSA-N 0 257.289 CF 2.953 0 Anodyne ref CFAARN [NH3+][C@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 N[C@@H](CC(=O)O)c1cccc(Oc2ccccc2)c1 ZINC000000265983 57/36/71/371573671 DOHHGYXZPWMNKT-AWEZNQCLSA-N 0 257.289 CF 2.953 0 Anodyne ref CFAARN [NH3+][C@@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 O=C(O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000266860 57/36/33/371573633 AOSUZFHFKHDFMW-SOFGYWHQSA-N -1 259.217 CF 2.953 0 Bother ref CFBARM O=C([O-])/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)O ZINC000000279753 57/66/60/371576660 QERVLMFEJQUIMV-UHFFFAOYSA-N -1 258.321 CF 2.565 0 Anodyne ref CFAARM Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)[O-] O=C(O)c1cccc2c1C(=O)N(c1ccccc1)C2 ZINC000000280077 57/65/53/371576553 MGTJLBBOVQWHLG-UHFFFAOYSA-N -1 253.257 CF 2.545 0 Anodyne ref CFAARM O=C([O-])c1cccc2c1C(=O)N(c1ccccc1)C2 in-vitro COc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000000303226 58/25/50/371582550 VYORLHNCZWLOHJ-UHFFFAOYSA-N 0 256.257 CF 2.727 0 Anodyne ref CFAARN COc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 O=C(O)c1cc(-c2ccccn2)nc2ccccc12 ZINC000000312247 21/97/45/304219745 WSYCFYURDIXHNT-UHFFFAOYSA-N -1 250.257 CF 2.995 0 Anodyne ref CFAARM O=C([O-])c1cc(-c2ccccn2)nc2ccccc12 Cc1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)n1 ZINC000000317672 23/44/28/301234428 AZKBUZDJCBEAKJ-UHFFFAOYSA-N -1 250.685 CF 2.841 0 Anodyne ref CFAARM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[O-])c2)n1 Cc1nn2c(C)c(C(=O)O)cnc2c1-c1ccccc1 ZINC000000323687 58/77/74/371587774 BBSUDQRGSXZPSA-UHFFFAOYSA-N -1 267.288 CF 2.711 0 Anodyne ref CFAARM Cc1nn2c(C)c(C(=O)[O-])cnc2c1-c1ccccc1 O=C(O)/C(=C1/OC(=O)c2ccccc21)c1ccccc1 ZINC000000357856 02/30/31/304023031 FYVAVBJZCHTYMI-BUHFOSPRSA-N -1 266.252 CF 2.81 0 Anodyne ref CFAARM O=C([O-])/C(=C1/OC(=O)c2ccccc21)c1ccccc1 O=C(O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000364147 59/57/53/371595753 OGFLVOQOCHNPDE-SOFGYWHQSA-N -1 259.217 CF 2.953 0 Bother ref CFBARM O=C([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12 ZINC000000365889 59/71/46/371597146 AEWNSBCPMQKSLN-UHFFFAOYSA-N 0 275.304 CF 2.589 0 Anodyne ref CFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12 CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN ZINC000000390099 65/74/80/276657480 HPQVWRBUXRICQG-UHFFFAOYSA-N 0 265.32 CF 2.516 0 Mild ref CFEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN CCOC(=O)c1cnc2c(F)c(F)c(F)cc2c1O ZINC000000403393 63/17/12/169631712 ONQDAESGZUODFI-UHFFFAOYSA-N -1 271.194 CF 2.534 0 Anodyne ref CFAARM CCOC(=O)c1c[n-]c2c(F)c(F)c(F)cc2c1=O O=C(O)Cc1c[nH]c2ccc(Br)cc12 ZINC000000404314 08/82/07/304088207 WTFGHMZUJMRWBK-UHFFFAOYSA-N -1 254.083 CF 2.558 0 Anodyne ref CFAARM O=C([O-])Cc1c[nH]c2ccc(Br)cc12 in-vitro O=c1cc(-c2ccccc2)c2ccc(O)c(O)c2o1 ZINC000000406883 60/63/04/371606304 JRVIIPJSVKTPBK-UHFFFAOYSA-N -1 254.241 CF 2.871 1 Clean mid CFCAMM O=c1cc(-c2ccccc2)c2ccc([O-])c(O)c2o1 in-vivo O=c1cc(-c2ccccc2)c2ccc(O)c(O)c2o1 ZINC000000406883 60/62/95/371606295 JRVIIPJSVKTPBK-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Clean ref CFCARN O=c1cc(-c2ccccc2)c2ccc(O)c(O)c2o1 in-vivo COc1ccc2nc(C)cc(SCC(=O)O)c2c1 ZINC000000420944 61/18/97/371611897 KMZLQPLMSQBZOY-UHFFFAOYSA-N -1 263.318 CF 2.729 0 Anodyne ref CFAARM COc1ccc2nc(C)cc(SCC(=O)[O-])c2c1 CCCc1cc(=O)oc2c(C)c(OCC(=O)O)ccc12 ZINC000000450560 61/84/79/371618479 DNGXHYILRGUTBT-UHFFFAOYSA-N -1 276.288 CF 2.517 0 Anodyne ref CFAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)[O-])ccc12 Cc1cc(C)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC000000470709 62/49/55/371624955 QCGRXIXHGGPRHT-UHFFFAOYSA-N 0 289.316 CF 2.965 0 Bother ref CFBARN Cc1cc(C)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1 CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)O)ccc12 ZINC000000489188 63/01/06/371630106 CIESTRWQJLTKEP-JTQLQIEISA-N -1 290.315 CF 2.906 0 Anodyne ref CFAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)[O-])ccc12 CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)O)ccc12 ZINC000000489189 63/03/62/371630362 CIESTRWQJLTKEP-SNVBAGLBSA-N -1 290.315 CF 2.906 0 Anodyne ref CFAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)[O-])ccc12 CCOC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000000489613 62/97/72/371629772 QOTUQJIVMVIAPW-UHFFFAOYSA-N 0 290.315 CF 2.606 0 Anodyne ref CFAARN CCOC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O COC1=C(C(C)(C)C)C(=O)C(O)=C(C(C)(C)C)C1=O ZINC000000492415 15/04/45/292150445 AYICBCLLPISQIE-UHFFFAOYSA-N -1 266.337 CF 2.943 1 Mild mid CFEAMM COC1=C(C(C)(C)C)C(=O)C([O-])=C(C(C)(C)C)C1=O COC1=C(C(C)(C)C)C(=O)C(O)=C(C(C)(C)C)C1=O ZINC000000492415 15/04/38/292150438 AYICBCLLPISQIE-UHFFFAOYSA-N -1 266.337 CF 2.943 0 Mild ref CFEARM COC1=C(C(C)(C)C)C(=O)C(=O)C(C(C)(C)C)=C1[O-] Nc1nc(-c2ccccc2)c(-c2ccccc2)n1N ZINC000000494066 96/55/85/274965585 WXQOHYIZALVTPS-UHFFFAOYSA-N 1 250.305 CF 2.513 1 Anodyne mid CFAAMO Nc1[nH+]c(-c2ccccc2)c(-c2ccccc2)n1N Nc1nc(-c2ccccc2)c(-c2ccccc2)n1N ZINC000000494066 96/55/81/274965581 WXQOHYIZALVTPS-UHFFFAOYSA-N 0 250.305 CF 2.513 0 Anodyne ref CFAARN Nc1nc(-c2ccccc2)c(-c2ccccc2)n1N COC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000000499439 63/18/13/371631813 DNHVXZDHGTWAQW-UHFFFAOYSA-N 0 254.083 CF 2.717 0 Anodyne ref CFAARN COC(=O)c1cc2cc(Br)ccc2[nH]1 Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1N ZINC000000510203 76/53/44/278765344 QQXUZEMDFOVOOJ-UHFFFAOYSA-N 0 258.712 CF 2.965 0 Anodyne ref CFAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1N Cc1coc2cc3oc(=O)c(CC(=O)O)c(C)c3cc12 ZINC000000520364 66/12/74/169661274 GZTDMFIUPUXXTH-UHFFFAOYSA-N -1 272.256 CF 2.783 0 Anodyne ref CFAARM Cc1coc2cc3oc(=O)c(CC(=O)[O-])c(C)c3cc12 Cc1c(C(=O)O)[nH]c2ccc(Br)cc12 ZINC000000521431 01/57/80/301015780 YUMRTSLYUVLHQK-UHFFFAOYSA-N -1 254.083 CF 2.937 0 Anodyne ref CFAARM Cc1c(C(=O)[O-])[nH]c2ccc(Br)cc12 COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)O)o1 ZINC000000525029 63/55/92/371635592 YJUUDNCOAPWQKX-QPJJXVBHSA-N -1 289.243 CF 2.961 0 Bother ref CFBARM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)[O-])o1 Cc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000000525957 96/82/26/500968226 ZYMGFBUOTQVAEV-UHFFFAOYSA-N 0 295.386 CF 2.54 0 Clean ref CFCARN Cc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 Cc1cc(C=O)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000000527361 63/56/66/371635666 NNWLCURZXVIPEC-LBPRGKRZSA-N -1 287.315 CF 2.759 0 Clean ref CFCARM Cc1cc(C=O)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 Cc1cc(C=O)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000000527362 66/23/66/169662366 NNWLCURZXVIPEC-GFCCVEGCSA-N -1 287.315 CF 2.759 0 Clean ref CFCARM Cc1cc(C=O)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1 COc1ccc(-c2ccc(C(=O)O)o2)cc1[N+](=O)[O-] ZINC000000527417 63/47/26/371634726 XROODOZOFWFIEX-UHFFFAOYSA-N -1 263.205 CF 2.562 0 Bother ref CFBARM COc1ccc(-c2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] CC(C)Sc1nnc(CCNC(=O)OC(C)(C)C)o1 ZINC000000527447 63/52/52/371635252 LHJGJIHGXOOXMX-UHFFFAOYSA-N 0 287.385 CF 2.637 0 Anodyne ref CFAARN CC(C)Sc1nnc(CCNC(=O)OC(C)(C)C)o1 COc1cc2c(C(=O)O)c(C)n(C)c2cc1Br ZINC000000529862 03/21/81/295032181 LTBHATYBASAESJ-UHFFFAOYSA-N -1 298.136 CF 2.956 0 Anodyne ref CFAARM COc1cc2c(C(=O)[O-])c(C)n(C)c2cc1Br COc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1[N+](=O)[O-] ZINC000000531989 63/55/60/371635560 NYCOIMYVQYWDTG-QPJJXVBHSA-N -1 289.243 CF 2.961 0 Bother ref CFBARM COc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1[N+](=O)[O-] CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)O)c12 ZINC000000532728 63/54/27/371635427 PPSGPOYIPZNDKA-VIFPVBQESA-N -1 276.288 CF 2.516 0 Anodyne ref CFAARM CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)[O-])c12