Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O ZINC000000002159 84/64/78/355846478 IQFYYKKMVGJFEH-CSMHCCOUSA-N 0 242.231 BA -1.514 0 Anodyne ref BAAARN Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O fda Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000000025672 41/09/41/574410941 IQFYYKKMVGJFEH-XLPZGREQSA-N 0 242.231 BA -1.514 0 Anodyne ref BAAARN Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O in-man endogenous NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n1 ZINC000001091444 31/43/54/181314354 IWUCXVSUMQZMFG-GUMKFJOWSA-N 0 244.207 BA -3.011 0 Anodyne ref BAAARN NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n1 investigational N[C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)O ZINC000001490608 70/18/38/342701838 VSGUEKZRMJVQOH-LURJTMIESA-N -1 239.231 BA -1.563 3 Anodyne high BAAAHM N[C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)[O-] in-vivo N[C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)O ZINC000001490608 70/18/33/342701833 VSGUEKZRMJVQOH-LURJTMIESA-N 0 239.231 BA -1.563 0 Anodyne ref BAAARN [NH3+][C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)[O-] in-vivo CC(C)(CO)[C@@H](O)C(=O)NCCCO ZINC000001530303 70/24/67/342702467 SNPLKNRPJHDVJA-ZETCQYMHSA-N 0 205.254 BA -1.136 0 Anodyne ref BAAARN CC(C)(CO)[C@@H](O)C(=O)NCCCO fda endogenous Nc1nc2c(ncn2COCCO)c(=O)[nH]1 ZINC000001530555 50/19/78/346501978 MKUXAQIIEYXACX-UHFFFAOYSA-N 0 225.208 BA -1.332 0 Anodyne ref BAAARN Nc1nc2c(ncn2COCCO)c(=O)[nH]1 fda O=S(=O)(O)CCCNC(CO)(CO)CO ZINC000001611594 70/56/19/342705619 YNLCVAQJIKOXER-UHFFFAOYSA-N -1 243.281 BA -2.43 3 Anodyne high BAAAHM O=S(=O)([O-])CCCNC(CO)(CO)CO in-vitro O=S(=O)(O)CCCNC(CO)(CO)CO ZINC000001611594 70/56/17/342705617 YNLCVAQJIKOXER-UHFFFAOYSA-N 0 243.281 BA -2.43 0 Anodyne ref BAAARN O=S(=O)([O-])CCC[NH2+]C(CO)(CO)CO in-vitro CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C ZINC000002024505 38/44/09/172384409 PCYDYHRBODKVEL-WDSKDSINSA-N 0 204.226 BA -2.115 0 Anodyne ref BAAARN CN(C)C(=O)[C@@H](O)[C@H](O)C(=O)N(C)C in-vitro NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/35/181367735 CQOVPNPJLQNMDC-ZETCQYMHSA-N 1 226.236 BA -1.13 2 Anodyne low BAAALO [NH3+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] world endogenous NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/34/181367734 CQOVPNPJLQNMDC-ZETCQYMHSA-N 1 226.236 BA -1.13 2 Anodyne low BAAALO [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] world endogenous NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/33/181367733 CQOVPNPJLQNMDC-ZETCQYMHSA-N 0 226.236 BA -1.13 1 Anodyne mid BAAAMN [NH3+]CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] world endogenous NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000002040854 36/77/32/181367732 CQOVPNPJLQNMDC-ZETCQYMHSA-N 0 226.236 BA -1.13 0 Anodyne ref BAAARN [NH3+]CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] world endogenous CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000002511432 12/26/60/170122660 IKXCHOUDIPZROZ-LXGUWJNJSA-N 1 209.242 BA -2.968 0 Anodyne ref BAAARO CC[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O ZINC000002530708 72/29/45/342722945 DBWPFHJYSTVBCZ-BYPYZUCNSA-N -2 217.156 BA -1.912 3 Anodyne high BAAAHL N[C@@H](Cn1cc(F)c(=O)[n-]c1=O)C(=O)[O-] in-vivo N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O ZINC000002530708 72/29/44/342722944 DBWPFHJYSTVBCZ-BYPYZUCNSA-N -1 217.156 BA -1.912 3 Anodyne high BAAAHM [NH3+][C@@H](Cn1cc(F)c(=O)[n-]c1=O)C(=O)[O-] in-vivo N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O ZINC000002530708 72/29/43/342722943 DBWPFHJYSTVBCZ-BYPYZUCNSA-N 0 217.156 BA -1.912 0 Anodyne ref BAAARN [NH3+][C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)[O-] in-vivo Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000002583632 07/82/99/363078299 UHDGCWIWMRVCDJ-XVFCMESISA-N 0 243.219 BA -2.563 0 Anodyne ref BAAARN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 investigational endogenous O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000002583633 00/52/20/183005220 DRTQHJPVMGBUCF-XVFCMESISA-N 0 244.203 BA -2.852 0 Anodyne ref BAAARN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 investigational endogenous CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000003794711 02/90/48/384029048 UQRORFVVSGFNRO-UTINFBMNSA-N 0 219.281 BA -1.454 3 Anodyne high BAAAHN CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO fda CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000003794711 02/90/47/384029047 UQRORFVVSGFNRO-UTINFBMNSA-N 1 219.281 BA -1.454 1 Anodyne mid BAAAMO CCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO fda CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000003794711 02/90/39/384029039 UQRORFVVSGFNRO-UTINFBMNSA-N 1 219.281 BA -1.454 0 Anodyne ref BAAARO CCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO fda Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 ZINC000003795098 76/08/74/181760874 UHDGCWIWMRVCDJ-CCXZUQQUSA-N 0 243.219 BA -2.563 0 Anodyne ref BAAARN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 fda endogenous NCCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000003812862 36/96/17/181369617 WRUUGTRCQOWXEG-UHFFFAOYSA-N -3 235.069 BA -1.663 3 Anodyne high BAAAHL [NH3+]CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] fda NCCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000003812862 36/96/13/181369613 WRUUGTRCQOWXEG-UHFFFAOYSA-N -1 235.069 BA -1.663 2 Anodyne low BAAALM [NH3+]CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O fda NCCC(O)(P(=O)(O)O)P(=O)(O)O ZINC000003812862 36/96/11/181369611 WRUUGTRCQOWXEG-UHFFFAOYSA-N -1 235.069 BA -1.663 2 Anodyne low BAAALM [NH3+]CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O fda Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1 ZINC000003817231 73/78/93/342737893 NVZFZMCNALTPBY-XVFCMESISA-N 0 245.21 BA -1.586 0 Anodyne ref BAAARN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1 in-vitro C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O ZINC000003830725 02/93/59/384029359 ZWAOHEXOSAUJHY-GPJNPLOBSA-N -1 246.194 BA -1.685 3 Anodyne high BAAAHM C[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@H]1O in-vitro C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O ZINC000003830725 02/93/57/384029357 ZWAOHEXOSAUJHY-GPJNPLOBSA-N -1 246.194 BA -1.685 0 Anodyne ref BAAARM C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O in-vitro C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O ZINC000003830727 02/96/62/384029662 ZWAOHEXOSAUJHY-YQHTUYAKSA-N -1 246.194 BA -1.685 3 Anodyne high BAAAHM C[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O world C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O ZINC000003830727 02/96/57/384029657 ZWAOHEXOSAUJHY-YQHTUYAKSA-N -1 246.194 BA -1.685 0 Anodyne ref BAAARM C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O world O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000003834164 00/50/44/183005044 DRTQHJPVMGBUCF-CCXZUQQUSA-N 0 244.203 BA -2.852 0 Anodyne ref BAAARN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 investigational biogenic CN(CC(=O)O)/C(N)=N/P(=O)(O)O ZINC000003869774 41/20/70/574412070 DRBBFCLWYRJSJZ-UHFFFAOYSA-N -2 211.114 BA -1.59 0 Mild ref BAEARL CN(CC(=O)[O-])C(N)=[NH+]P(=O)([O-])[O-] world endogenous O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1 ZINC000004016691 00/50/20/183005020 UIYWFOZZIZEEKJ-XVFCMESISA-N 0 246.194 BA -1.875 0 Anodyne ref BAAARN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1 N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12 ZINC000004027061 21/07/46/181210746 BBDAGFIXKZCXAH-CCXZUQQUSA-N 0 225.204 BA -1.626 0 Anodyne ref BAAARN N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12 in-man OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000004097426 07/71/68/183077168 IBAQFPQHRJAVAV-ULAWRXDQSA-N 0 207.226 BA -3.262 1 Anodyne mid BAAAMN OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO fda OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000004097426 07/71/67/183077167 IBAQFPQHRJAVAV-ULAWRXDQSA-N 1 207.226 BA -3.262 1 Anodyne mid BAAAMO OCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO fda OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000004097426 07/71/66/183077166 IBAQFPQHRJAVAV-ULAWRXDQSA-N 1 207.226 BA -3.262 0 Anodyne ref BAAARO OCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO fda C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O ZINC000004164422 04/18/16/384041816 ZWAOHEXOSAUJHY-UACQAKEDSA-N -1 246.194 BA -1.685 3 Anodyne high BAAAHM C[C@H]1O[C@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O world C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O ZINC000004164422 04/18/06/384041806 ZWAOHEXOSAUJHY-UACQAKEDSA-N 0 246.194 BA -1.685 0 Anodyne ref BAAARN C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O world Nc1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1 ZINC000005239365 76/09/02/342760902 CKTSBUTUHBMZGZ-ATRFCDNQSA-N 0 227.22 BA -1.534 0 Anodyne ref BAAARN Nc1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1 in-vitro Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1 ZINC000006091575 02/97/96/363029796 UHDGCWIWMRVCDJ-PXBUCIJWSA-N 0 243.219 BA -2.563 0 Anodyne ref BAAARN Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1 investigational biogenic NCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O ZINC000008583964 36/91/82/181369182 CQOVPNPJLQNMDC-SSDOTTSWSA-N 1 226.236 BA -1.13 2 Anodyne low BAAALO [NH3+]CCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] world NCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O ZINC000008583964 36/91/81/181369181 CQOVPNPJLQNMDC-SSDOTTSWSA-N 1 226.236 BA -1.13 2 Anodyne low BAAALO [NH3+]CCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] world NCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O ZINC000008583964 36/91/76/181369176 CQOVPNPJLQNMDC-SSDOTTSWSA-N 0 226.236 BA -1.13 1 Anodyne mid BAAAMN [NH3+]CCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] world NCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O ZINC000008583964 36/91/72/181369172 CQOVPNPJLQNMDC-SSDOTTSWSA-N 0 226.236 BA -1.13 0 Anodyne ref BAAARN [NH3+]CCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] world O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000008613151 00/49/98/183004998 DRTQHJPVMGBUCF-YDKYIBAVSA-N 0 244.203 BA -2.852 0 Anodyne ref BAAARN O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 investigational biogenic O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000011525576 00/56/48/183005648 DRTQHJPVMGBUCF-PXBUCIJWSA-N 0 244.203 BA -2.852 0 Anodyne ref BAAARN O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 investigational biogenic Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1 ZINC000012336757 76/09/79/181760979 UHDGCWIWMRVCDJ-YDKYIBAVSA-N 0 243.219 BA -2.563 0 Anodyne ref BAAARN Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1 investigational biogenic Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 ZINC000016929327 61/11/03/384611103 XAUDJQYHKZQPEU-KVQBGUIXSA-N 0 228.208 BA -2.139 0 Anodyne ref BAAARN Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 fda Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 ZINC000018286013 76/16/64/181761664 CKTSBUTUHBMZGZ-SHYZEUOFSA-N 0 227.22 BA -1.534 0 Anodyne ref BAAARN Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 in-man endogenous O=S(=O)(O)CCN1CCN(CCO)CC1 ZINC000019203136 94/34/65/342943465 JKMHFZQWWAIEOD-UHFFFAOYSA-N 0 238.309 BA -1.516 2 Anodyne low BAAALN O=S(=O)([O-])CCN1CC[NH+](CCO)CC1 in-vitro O=S(=O)(O)CCN1CCN(CCO)CC1 ZINC000019203136 94/34/64/342943464 JKMHFZQWWAIEOD-UHFFFAOYSA-N 0 238.309 BA -1.516 1 Anodyne mid BAAAMN O=S(=O)([O-])CC[NH+]1CCN(CCO)CC1 in-vitro O=S(=O)(O)CCN1CCN(CCO)CC1 ZINC000019203136 94/34/63/342943463 JKMHFZQWWAIEOD-UHFFFAOYSA-N 0 238.309 BA -1.516 0 Anodyne ref BAAARN O=S(=O)([O-])CCN1CCN(CCO)CC1 in-vitro C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@H](O)[C@@H]1O ZINC000021302830 66/32/41/384663241 YSNABXSEHNLERR-ZIYNGMLESA-N 0 245.21 BA -1.396 0 Anodyne ref BAAARN C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@H](O)[C@@H]1O world NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)n1 ZINC000021981353 31/35/73/181313573 IWUCXVSUMQZMFG-ORKRIWSOSA-N 0 244.207 BA -3.011 0 Anodyne ref BAAARN NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)n1 investigational C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O ZINC000021983574 54/33/63/385543363 ZWAOHEXOSAUJHY-DAPPJFTDSA-N -1 246.194 BA -1.685 3 Anodyne high BAAAHM C[C@H]1O[C@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@H]1O C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O ZINC000021983574 54/33/48/385543348 ZWAOHEXOSAUJHY-DAPPJFTDSA-N 0 246.194 BA -1.685 0 Anodyne ref BAAARN C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O