C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000000346 68/73/65/401687365 ANGKOCUUWGHLCE-HKUYNNGSSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 fda COc1ccccc1N1CCN(C(=O)c2ccc(N)cc2)CC1 ZINC000000083545 68/78/82/401687882 LNWURGYRESTCAD-UHFFFAOYSA-N 0 311.385 DE 2.24 0 Anodyne ref DEAARN COc1ccccc1N1CCN(C(=O)c2ccc(N)cc2)CC1 C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000896958 70/36/38/401703638 ANGKOCUUWGHLCE-PKOBYXMFSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 fda C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000896968 17/76/71/280177671 ANGKOCUUWGHLCE-MJGOQNOKSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 fda C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000000968301 70/32/97/401703297 ANGKOCUUWGHLCE-IEBWSBKVSA-N 1 318.437 DE 2.456 0 Bother ref DEBARO C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 fda CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 ZINC000001530567 70/83/75/401708375 NWIUTZDMDHAVTP-KRWDZBQOSA-N 1 307.434 DE 2.393 0 Anodyne ref DEAARO CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCC2CC2)cc1 fda CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 ZINC000001530568 87/11/90/180871190 NWIUTZDMDHAVTP-QGZVFWFLSA-N 1 307.434 DE 2.393 0 Anodyne ref DEAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1 fda CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC ZINC000001544798 70/85/69/401708569 FFNWMBDISAYHDC-UHFFFAOYSA-N 0 300.786 DE 2.429 3 Anodyne high DEAAHN CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC in-vivo CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC ZINC000001544798 70/85/63/401708563 FFNWMBDISAYHDC-UHFFFAOYSA-N 1 300.786 DE 2.429 0 Anodyne ref DEAARO CC[NH+](CC)CCOC(=O)c1cc(Cl)c(N)cc1OC in-vivo CN1CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000001693017 17/36/54/277173654 OVGMKPGXRHJNKJ-WMZOPIPTSA-N 0 303.402 DE 2.312 1 Anodyne mid DEAAMN CN1CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 CN1CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000001693017 17/36/53/277173653 OVGMKPGXRHJNKJ-WMZOPIPTSA-N 1 303.402 DE 2.312 1 Anodyne mid DEAAMO C[N@H+]1CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 CN1CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000001693017 17/36/50/277173650 OVGMKPGXRHJNKJ-WMZOPIPTSA-N 1 303.402 DE 2.312 0 Anodyne ref DEAARO C[N@@H+]1CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 CN1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003954478 13/89/50/277138950 OVGMKPGXRHJNKJ-AEFFLSMTSA-N 0 303.402 DE 2.312 1 Anodyne mid DEAAMN CN1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 CN1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003954478 13/89/48/277138948 OVGMKPGXRHJNKJ-AEFFLSMTSA-N 1 303.402 DE 2.312 1 Anodyne mid DEAAMO C[N@H+]1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 CN1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003954478 13/89/44/277138944 OVGMKPGXRHJNKJ-AEFFLSMTSA-N 1 303.402 DE 2.312 0 Anodyne ref DEAARO C[N@@H+]1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000003956788 05/95/36/181059536 YQNQNVDNTFHQSW-UHFFFAOYSA-N 0 307.287 DE 2.229 0 Bother ref DEBARN CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 fda CN1CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065156 14/35/80/283143580 OVGMKPGXRHJNKJ-FUHWJXTLSA-N 0 303.402 DE 2.312 1 Anodyne mid DEAAMN CN1CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 in-vitro CN1CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065156 14/35/74/283143574 OVGMKPGXRHJNKJ-FUHWJXTLSA-N 1 303.402 DE 2.312 1 Anodyne mid DEAAMO C[N@H+]1CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 in-vitro CN1CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065156 14/35/65/283143565 OVGMKPGXRHJNKJ-FUHWJXTLSA-N 1 303.402 DE 2.312 0 Anodyne ref DEAARO C[N@@H+]1CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 in-vitro CN1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065158 06/06/20/283060620 OVGMKPGXRHJNKJ-SJLPKXTDSA-N 0 303.402 DE 2.312 1 Anodyne mid DEAAMN CN1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 in-vitro CN1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065158 06/06/18/283060618 OVGMKPGXRHJNKJ-SJLPKXTDSA-N 1 303.402 DE 2.312 1 Anodyne mid DEAAMO C[N@H+]1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 in-vitro CN1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005065158 06/06/14/283060614 OVGMKPGXRHJNKJ-SJLPKXTDSA-N 1 303.402 DE 2.312 0 Anodyne ref DEAARO C[N@@H+]1CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 in-vitro COC(=O)/N=c1\[nH]c2ccc([S@@](=O)c3ccccc3)cc2[nH]1 ZINC000008584337 75/37/15/401753715 BEZZFPOZAYTVHN-JOCHJYFZSA-N 0 315.354 DE 2.33 0 Anodyne ref DEAARN COC(=O)Nc1nc2cc([S@@](=O)c3ccccc3)ccc2[nH]1 in-man endogenous COC(=O)/N=c1\[nH]c2ccc([S@](=O)c3ccccc3)cc2[nH]1 ZINC000008584338 56/71/35/181567135 BEZZFPOZAYTVHN-QFIPXVFZSA-N 0 315.354 DE 2.33 0 Anodyne ref DEAARN COC(=O)Nc1nc2cc([S@](=O)c3ccccc3)ccc2[nH]1 in-man endogenous COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C ZINC000014974583 81/43/41/401814341 QULDDKSCVCJTPV-UHFFFAOYSA-N 1 318.768 DE 2.131 1 Anodyne mid DEAAMO COc1c(C)c[nH+]c(Cn2cnc3c(Cl)nc(N)nc32)c1C investigational COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C ZINC000014974583 81/43/38/401814338 QULDDKSCVCJTPV-UHFFFAOYSA-N 0 318.768 DE 2.131 0 Anodyne ref DEAARN COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C investigational O=C(O)c1cc(Br)nn1-c1ncccc1Cl ZINC000015810042 22/14/31/304221431 FORBXGROTPOMEH-UHFFFAOYSA-N -1 302.515 DE 2.381 0 Anodyne ref DEAARM O=C([O-])c1cc(Br)nn1-c1ncccc1Cl COc1cc(-c2oc3cc(O)c(O)cc3c(=O)c2O)ccc1O ZINC000021992187 30/22/49/182302249 KQBHOMRPRBEQFF-UHFFFAOYSA-N 0 316.265 DE 2.291 2 Clean low DECBLN COc1cc(-c2oc3cc(O)c(O)cc3c(=O)c2O)ccc1O COc1cc(-c2oc3cc(O)c(O)cc3c(=O)c2O)ccc1O ZINC000021992187 30/22/47/182302247 KQBHOMRPRBEQFF-UHFFFAOYSA-N -1 316.265 DE 2.291 0 Clean ref DECBRM COc1cc(-c2oc3cc([O-])c(O)cc3c(=O)c2O)ccc1O O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@@]1(C(=O)O)c1ccccc1 ZINC000022016822 30/41/88/182304188 XWJCCJTWOLBUSW-ORAYPTAESA-N -1 321.332 DE 2.325 0 Anodyne ref DEABRM O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@@]1(C(=O)[O-])c1ccccc1 C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O ZINC000053084692 05/08/36/402050836 NEMGRZFTLSKBAP-LBPRGKRZSA-N 0 302.349 DE 2.368 1 Anodyne mid DEAAMN C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O fda C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O ZINC000053084692 05/08/31/402050831 NEMGRZFTLSKBAP-LBPRGKRZSA-N 1 302.349 DE 2.368 0 Anodyne ref DEAARO C[C@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O fda