Cn1c(N)cc(=O)n(C)c1=O ZINC000000105224 03/26/63/169032663 VFGRNTYELNYSKJ-UHFFFAOYSA-N 0 155.157 AA -1.334 0 Anodyne ref AAAARN Cn1c(N)cc(=O)n(C)c1=O Cn1c(N)cc(=O)[nH]c1=O ZINC000000154763 03/38/48/169033848 GZLZRPNUDBIQBM-UHFFFAOYSA-N 0 141.13 AA -1.344 0 Anodyne ref AAAARN Cn1c(N)cc(=O)[nH]c1=O CN1C(=O)N(C)[C@@H](O)[C@@H]1O ZINC000000191026 93/12/96/342931296 LGJMYGMNWHYGCB-IMJSIDKUSA-N 0 146.146 AA -1.38 0 Anodyne ref AAAARN CN1C(=O)N(C)[C@@H](O)[C@@H]1O CN1C(=O)N(C)[C@H](O)[C@H]1O ZINC000000191027 93/12/88/342931288 LGJMYGMNWHYGCB-QWWZWVQMSA-N 0 146.146 AA -1.38 0 Anodyne ref AAAARN CN1C(=O)N(C)[C@H](O)[C@H]1O CN1C(=O)N(C)[C@@H]2NC(=O)N[C@H]21 ZINC000000333708 93/40/24/342934024 NVMPHBRFTZFQPS-IMJSIDKUSA-N 0 170.172 AA -1.051 0 Anodyne ref AAAARN CN1C(=O)N(C)[C@@H]2NC(=O)N[C@H]21 N[C@@H](CC(=O)O)C(=O)O ZINC000000895032 24/36/51/169243651 CKLJMWTZIZZHCS-REOHCLBHSA-N -1 133.103 AA -1.127 0 Anodyne ref AAAARM [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] fda endogenous N[C@@H](CO)C(=O)O ZINC000000895034 24/45/45/169244545 MTCFGRXMJLQNBG-REOHCLBHSA-N -1 105.093 AA -1.609 3 Anodyne high AAAAHM N[C@@H](CO)C(=O)[O-] fda endogenous N[C@@H](CO)C(=O)O ZINC000000895034 24/45/44/169244544 MTCFGRXMJLQNBG-REOHCLBHSA-N 0 105.093 AA -1.609 0 Anodyne ref AAAARN [NH3+][C@@H](CO)C(=O)[O-] fda endogenous OCC(O)CO ZINC000000895048 42/33/05/169423305 PEDCQBHIVMGVHV-UHFFFAOYSA-N 0 92.094 AA -1.668 0 Anodyne ref AAAARN OCC(O)CO fda endogenous O=C(O)C[C@H](O)C(=O)O ZINC000000895074 34/34/03/169343403 BJEPYKJPYRNKOW-REOHCLBHSA-N -2 134.087 AA -1.093 0 Anodyne ref AAAARL O=C([O-])C[C@H](O)C(=O)[O-] investigational endogenous O=C(O)CC(O)(CC(=O)O)C(=O)O ZINC000000895081 94/15/44/342941544 KRKNYBCHXYNGOX-UHFFFAOYSA-N -3 192.123 AA -1.248 0 Anodyne ref AAAARL O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] fda endogenous C[C@@H](O)[C@H](N)C(=O)O ZINC000000895103 39/89/44/168398944 AYFVYJQAPQTCCC-GBXIJSLDSA-N 0 119.12 AA -1.221 0 Anodyne ref AAAARN C[C@@H](O)[C@H]([NH3+])C(=O)[O-] fda endogenous O=C(O)C[C@@H](O)C(=O)O ZINC000000895264 34/16/91/169341691 BJEPYKJPYRNKOW-UWTATZPHSA-N -2 134.087 AA -1.093 0 Anodyne ref AAAARL O=C([O-])C[C@@H](O)C(=O)[O-] investigational endogenous N[C@H](CO)C(=O)O ZINC000000895342 26/53/37/169265337 MTCFGRXMJLQNBG-UWTATZPHSA-N -1 105.093 AA -1.609 3 Anodyne high AAAAHM N[C@H](CO)C(=O)[O-] in-man endogenous N[C@H](CO)C(=O)O ZINC000000895342 26/53/35/169265335 MTCFGRXMJLQNBG-UWTATZPHSA-N 0 105.093 AA -1.609 0 Anodyne ref AAAARN [NH3+][C@H](CO)C(=O)[O-] in-man endogenous C[C@@H](O)[C@@H](N)C(=O)O ZINC000000895399 39/80/83/168398083 AYFVYJQAPQTCCC-PWNYCUMCSA-N 0 119.12 AA -1.221 0 Anodyne ref AAAARN C[C@@H](O)[C@@H]([NH3+])C(=O)[O-] endogenous in-vivo NC(CO)(CO)CO ZINC000000896695 16/78/74/169167874 LENZDBCJOHFCAS-UHFFFAOYSA-N 0 121.136 AA -2.339 3 Anodyne high AAAAHN NC(CO)(CO)CO fda metabolite NC(CO)(CO)CO ZINC000000896695 16/78/71/169167871 LENZDBCJOHFCAS-UHFFFAOYSA-N 1 121.136 AA -2.339 2 Anodyne low AAAALO [NH3+]C(CO)(CO)CO fda metabolite O=C(O)C(O)C(=O)O ZINC000000901335 94/21/17/342942117 ROBFUDYVXSDBQM-UHFFFAOYSA-N -2 120.06 AA -1.484 0 Anodyne ref AAAARL O=C([O-])C(O)C(=O)[O-] world endogenous O=C(O)[C@@H]1C[C@@H](O)CN1 ZINC000000901791 34/85/74/169348574 PMMYEEVYMWASQN-DMTCNVIQSA-N 0 131.131 AA -1.206 0 Anodyne ref AAAARN O=C([O-])[C@@H]1C[C@@H](O)C[NH2+]1 fda endogenous O=C1NC2NC(=O)NC2N1 ZINC000001081272 38/50/65/169385065 VPVSTMAPERLKKM-UHFFFAOYSA-N 0 142.118 AA -1.736 0 Anodyne ref AAAARN O=C1NC2NC(=O)NC2N1 in-vivo O=C1N[C@@H](O)[C@H](O)N1 ZINC000001083976 38/82/52/169388252 NNTWKXKLHMTGBU-LWMBPPNESA-N 0 118.092 AA -2.064 0 Anodyne ref AAAARN O=C1N[C@@H](O)[C@H](O)N1 O=C1N[C@H](O)[C@@H](O)N1 ZINC000001083979 38/96/92/169389692 NNTWKXKLHMTGBU-JCYAYHJZSA-N 0 118.092 AA -2.064 0 Anodyne ref AAAARN O=C1N[C@H](O)[C@@H](O)N1 OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O ZINC000001529270 28/65/17/351286517 RFSUNEUAIZKAJO-ARQDHWQXSA-N 0 180.156 AA -3.22 0 Anodyne ref AAAARN OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O in-man endogenous O=C1CNC(=O)CN1 ZINC000001529518 37/88/27/169378827 BXRNXXXXHLBUKK-UHFFFAOYSA-N 0 114.104 AA -1.768 0 Anodyne ref AAAARN O=C1CNC(=O)CN1 in-vitro N=C(N)NCCC[C@H](N)C(=O)O ZINC000001532525 13/81/35/169138135 ODKSFYDXXFIFQN-BYPYZUCNSA-N 1 174.204 AA -1.338 0 Anodyne ref AAAARO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-] fda endogenous NC(=O)CC[C@H](N)C(=O)O ZINC000001532526 14/95/09/169149509 ZDXPYRJPNDTMRX-VKHMYHEASA-N 0 146.146 AA -1.336 0 Anodyne ref AAAARN NC(=O)CC[C@H]([NH3+])C(=O)[O-] fda endogenous NC(=O)CC[C@@H](N)C(=O)O ZINC000001532609 14/98/20/169149820 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 0 146.146 AA -1.336 0 Anodyne ref AAAARN NC(=O)CC[C@@H]([NH3+])C(=O)[O-] in-man endogenous NC(=O)NCCC[C@H](N)C(=O)O ZINC000001532614 15/76/04/169157604 RHGKLRLOHDJJDR-BYPYZUCNSA-N 0 175.188 AA -1.153 0 Anodyne ref AAAARN NC(=O)NCCC[C@H]([NH3+])C(=O)[O-] world endogenous OCCOCCO ZINC000001668756 29/23/89/351292389 MTHSVFCYNBDYFN-UHFFFAOYSA-N 0 106.121 AA -1.012 0 Anodyne ref AAAARN OCCOCCO in-vitro NC[C@@H](O)CO ZINC000001694432 20/49/53/169204953 KQIGMPWTAHJUMN-GSVOUGTGSA-N 1 91.11 AA -1.702 0 Anodyne ref AAAARO [NH3+]C[C@@H](O)CO in-vitro O=CNCCNC=O ZINC000001733911 39/84/52/169398452 NBNDPGGJEJRDBJ-UHFFFAOYSA-N 0 116.12 AA -1.522 0 Anodyne ref AAAARN O=CNCCNC=O C[C@H](O)[C@H](N)C(=O)O ZINC000001747072 96/36/05/342963605 AYFVYJQAPQTCCC-HRFVKAFMSA-N 0 119.12 AA -1.221 0 Anodyne ref AAAARN C[C@H](O)[C@H]([NH3+])C(=O)[O-] in-man endogenous C[C@H](O)[C@@H](N)C(=O)O ZINC000001747073 41/15/07/574411507 AYFVYJQAPQTCCC-STHAYSLISA-N 0 119.12 AA -1.221 0 Anodyne ref AAAARN C[C@H](O)[C@@H]([NH3+])C(=O)[O-] in-vitro endogenous COC[C@@H](O)CO ZINC000001866958 18/41/93/168184193 PSJBSUHYCGQTHZ-BYPYZUCNSA-N 0 106.121 AA -1.014 0 Anodyne ref AAAARN COC[C@@H](O)CO CN1CCNC(=O)[C@H]1CC(=O)O ZINC000001926701 96/58/86/342965886 FQKYGXLDOAFGCC-RXMQYKEDSA-N 0 172.184 AA -1.109 1 Anodyne mid AAAAMN C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CN1CCNC(=O)[C@H]1CC(=O)O ZINC000001926701 96/58/85/342965885 FQKYGXLDOAFGCC-RXMQYKEDSA-N 0 172.184 AA -1.109 1 Anodyne mid AAAAMN C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] CN1CCNC(=O)[C@H]1CC(=O)O ZINC000001926701 96/58/83/342965883 FQKYGXLDOAFGCC-RXMQYKEDSA-N -1 172.184 AA -1.109 0 Anodyne ref AAAARM CN1CCNC(=O)[C@H]1CC(=O)[O-] CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926703 96/58/59/342965859 FQKYGXLDOAFGCC-YFKPBYRVSA-N 0 172.184 AA -1.109 1 Anodyne mid AAAAMN C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926703 96/58/58/342965858 FQKYGXLDOAFGCC-YFKPBYRVSA-N 0 172.184 AA -1.109 1 Anodyne mid AAAAMN C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926703 96/58/56/342965856 FQKYGXLDOAFGCC-YFKPBYRVSA-N -1 172.184 AA -1.109 0 Anodyne ref AAAARM CN1CCNC(=O)[C@@H]1CC(=O)[O-] COC(=O)CNC=O ZINC000002384738 09/17/98/168091798 FTMKOMANDDIUSM-UHFFFAOYSA-N 0 117.104 AA -1.095 0 Anodyne ref AAAARN COC(=O)CNC=O COC[C@H](O)CO ZINC000002504425 19/07/66/168190766 PSJBSUHYCGQTHZ-SCSAIBSYSA-N 0 106.121 AA -1.014 0 Anodyne ref AAAARN COC[C@H](O)CO CN1C(=O)N(C)[C@H]2NC(=O)N[C@@H]21 ZINC000003163214 98/15/71/342981571 NVMPHBRFTZFQPS-QWWZWVQMSA-N 0 170.172 AA -1.051 0 Anodyne ref AAAARN CN1C(=O)N(C)[C@H]2NC(=O)N[C@@H]21 NCCS(=O)(=O)O ZINC000003809490 19/20/06/169192006 XOAAWQZATWQOTB-UHFFFAOYSA-N 0 125.149 AA -1.167 0 Anodyne ref AAAARN [NH3+]CCS(=O)(=O)[O-] fda endogenous OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O ZINC000003830876 32/09/79/351320979 RFSUNEUAIZKAJO-ZXXMMSQZSA-N 0 180.156 AA -3.22 0 Anodyne ref AAABRN OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O in-vitro biogenic O=P(O)(O)OC(CO)CO ZINC000003830897 32/09/52/351320952 DHCLVCXQIBBOPH-UHFFFAOYSA-N -2 172.073 AA -1.551 0 Anodyne ref AAAARL O=P([O-])([O-])OC(CO)CO in-man endogenous CN1CCN(C(=O)CN)CC1 ZINC000004240492 98/93/08/342989308 ANHJTNKMQWWMDJ-UHFFFAOYSA-N 0 157.217 AA -1.281 3 Anodyne high AAAAHN CN1CCN(C(=O)CN)CC1 CN1CCN(C(=O)CN)CC1 ZINC000004240492 98/93/06/342989306 ANHJTNKMQWWMDJ-UHFFFAOYSA-N 2 157.217 AA -1.281 2 Anodyne low AAAALP C[NH+]1CCN(C(=O)C[NH3+])CC1 CN1CCN(C(=O)CN)CC1 ZINC000004240492 98/93/04/342989304 ANHJTNKMQWWMDJ-UHFFFAOYSA-N 1 157.217 AA -1.281 0 Anodyne ref AAAARO CN1CCN(C(=O)C[NH3+])CC1 O=C(O)C[C@@H]1NCCNC1=O ZINC000004291485 01/17/74/171011774 DXJIRWKIYQMFBA-BYPYZUCNSA-N 0 158.157 AA -1.451 1 Anodyne mid AAAAMN O=C([O-])C[C@@H]1[NH2+]CCNC1=O O=C(O)C[C@@H]1NCCNC1=O ZINC000004291485 01/17/71/171011771 DXJIRWKIYQMFBA-BYPYZUCNSA-N -1 158.157 AA -1.451 0 Anodyne ref AAAARM O=C([O-])C[C@@H]1NCCNC1=O O=C(O)C[C@H]1NCCNC1=O ZINC000004291486 34/35/15/169343515 DXJIRWKIYQMFBA-SCSAIBSYSA-N 0 158.157 AA -1.451 1 Anodyne mid AAAAMN O=C([O-])C[C@H]1[NH2+]CCNC1=O O=C(O)C[C@H]1NCCNC1=O ZINC000004291486 34/35/14/169343514 DXJIRWKIYQMFBA-SCSAIBSYSA-N -1 158.157 AA -1.451 0 Anodyne ref AAAARM O=C([O-])C[C@H]1NCCNC1=O N#CNC(=N)N ZINC000005112486 10/62/07/169106207 QGBSISYHAICWAH-UHFFFAOYSA-N 0 84.082 AA -1.049 0 Anodyne ref AAAARN N#CNC(=N)N in-vitro O=C(O)Cc1nnn[nH]1 ZINC000005178980 34/51/76/169345176 JUNAPQMUUHSYOV-UHFFFAOYSA-N -2 128.091 AA -1.173 3 Anodyne high AAAAHL O=C([O-])Cc1nnn[n-]1 O=C(O)Cc1nnn[nH]1 ZINC000005178980 34/51/74/169345174 JUNAPQMUUHSYOV-UHFFFAOYSA-N -1 128.091 AA -1.173 1 Anodyne mid AAAAMM O=C([O-])Cc1nn[nH]n1 O=C(O)Cc1nnn[nH]1 ZINC000005178980 34/51/73/169345173 JUNAPQMUUHSYOV-UHFFFAOYSA-N -2 128.091 AA -1.173 0 Anodyne ref AAAARL O=C([O-])Cc1nn[n-]n1 C[C@@H]1CNC(=O)C(=O)N1 ZINC000005179905 01/55/51/171015551 BMVSLYMESJMOCR-GSVOUGTGSA-N 0 128.131 AA -1.379 0 Anodyne ref AAABRN C[C@@H]1CNC(=O)C(=O)N1 O=C1CC(=O)NC(O)=N1 ZINC000005187769 36/82/05/169368205 HNYOPLTXPVRDBG-UHFFFAOYSA-N 0 128.087 AA -1.053 2 Anodyne low AAAALN O=c1cc(O)[nH]c(=O)[nH]1 world endogenous O=C1CC(=O)NC(O)=N1 ZINC000005187769 36/82/04/169368204 HNYOPLTXPVRDBG-UHFFFAOYSA-N -1 128.087 AA -1.053 0 Anodyne ref AAAARM O=c1cc([O-])[nH]c(=O)[nH]1 world endogenous NCc1n[nH]c(N)n1 ZINC000005561246 22/87/91/169228791 YAJUVCFUFFPHBD-UHFFFAOYSA-N 0 113.124 AA -1.154 1 Anodyne mid AAAAMN NCc1nc(N)n[nH]1 NCc1n[nH]c(N)n1 ZINC000005561246 22/87/89/169228789 YAJUVCFUFFPHBD-UHFFFAOYSA-N 1 113.124 AA -1.154 0 Anodyne ref AAAARO Nc1n[nH]c(C[NH3+])n1 NC(=O)c1nonc1N ZINC000005670118 10/50/62/527105062 NQUIGUVMOCOCDD-UHFFFAOYSA-N 0 128.091 AA -1.249 0 Anodyne ref AAAARN NC(=O)c1nonc1N C[C@H]1CNC(=O)C(=O)N1 ZINC000006481435 02/06/76/171020676 BMVSLYMESJMOCR-VKHMYHEASA-N 0 128.131 AA -1.379 0 Anodyne ref AAABRN C[C@H]1CNC(=O)C(=O)N1 O=C(O)C(O)O ZINC000006660936 02/07/23/171020723 GOCCREQJUBABAL-UHFFFAOYSA-N -1 92.05 AA -1.618 0 Anodyne ref AAAARM O=C([O-])C(O)O N=C(N)NN ZINC000008034829 13/91/48/169139148 HAMNKKUPIHEESI-UHFFFAOYSA-N 1 74.087 AA -1.657 2 Anodyne low AAAALO N[NH+]=C(N)N investigational N=C(N)NN ZINC000008034829 13/91/44/169139144 HAMNKKUPIHEESI-UHFFFAOYSA-N 0 74.087 AA -1.657 0 Anodyne ref AAAARN N=NC(N)N investigational NCCO ZINC000008214617 19/23/76/169192376 HZAXFHJVJLSVMW-UHFFFAOYSA-N 1 61.084 AA -1.063 0 Anodyne ref AAAARO [NH3+]CCO in-man endogenous NNC(N)=S ZINC000008830546 23/66/22/169236622 BRWIZMBXBAOCCF-UHFFFAOYSA-N 0 91.139 AA -1.307 0 Anodyne ref AAAARN NNC(N)=S in-vitro O=C1NC(=O)[C@H]2N=CN[C@H]2N1 ZINC000012138155 02/45/06/171024506 XFDDPZJZQMXPPZ-HRFVKAFMSA-N 0 154.129 AA -1.848 0 Anodyne ref AAAARN O=C1NC(=O)[C@H]2NC=N[C@H]2N1 O=C1NC(=O)[C@H]2N=CN[C@@H]2N1 ZINC000012138156 02/48/24/171024824 XFDDPZJZQMXPPZ-STHAYSLISA-N 0 154.129 AA -1.848 0 Anodyne ref AAAARN O=C1NC(=O)[C@H]2NC=N[C@@H]2N1 O=C1NC(=O)[C@@H]2N=CN[C@H]2N1 ZINC000012138157 02/48/27/171024827 XFDDPZJZQMXPPZ-GBXIJSLDSA-N 0 154.129 AA -1.848 0 Anodyne ref AAAARN O=C1NC(=O)[C@@H]2NC=N[C@H]2N1 O=C1NC(=O)[C@@H]2N=CN[C@@H]2N1 ZINC000012138158 02/49/37/171024937 XFDDPZJZQMXPPZ-PWNYCUMCSA-N 0 154.129 AA -1.848 0 Anodyne ref AAAARN O=C1NC(=O)[C@@H]2NC=N[C@@H]2N1 CN1C(=O)N(C)[C@H](O)[C@@H]1O ZINC000012416633 89/57/33/167895733 LGJMYGMNWHYGCB-ZXZARUISSA-N 0 146.146 AA -1.38 0 Anodyne ref AAAARN CN1C(=O)N(C)[C@H](O)[C@@H]1O O=c1[nH]c(=O)c2[nH]cnc2[nH]1 ZINC000013517187 02/74/93/171027493 LRFVTYWOQMYALW-UHFFFAOYSA-N 0 152.113 AA -1.061 2 Anodyne low AAAALN O=c1[nH]c(=O)c2nc[nH]c2[nH]1 world endogenous O=c1[nH]c(=O)c2[nH]cnc2[nH]1 ZINC000013517187 02/74/89/171027489 LRFVTYWOQMYALW-UHFFFAOYSA-N -2 152.113 AA -1.061 0 Anodyne ref AAAARL O=c1nc2nc[nH]c2c([O-])[n-]1 world endogenous CN1C(=O)N(C)[C@H]2NC(=O)N[C@H]21 ZINC000018105434 04/79/11/343047911 NVMPHBRFTZFQPS-ZXZARUISSA-N 0 170.172 AA -1.051 0 Anodyne ref AAAARN CN1C(=O)N(C)[C@H]2NC(=O)N[C@H]21 O=C1N[C@@H](O)[C@@H](O)N1 ZINC000018258078 38/87/00/169388700 NNTWKXKLHMTGBU-XIXRPRMCSA-N 0 118.092 AA -2.064 0 Anodyne ref AAAARN O=C1N[C@@H](O)[C@@H](O)N1 COC(=O)CN1CCN[C@@H](C)C1=O ZINC000019089411 09/08/40/168090840 CKQUHZRNWWMZNT-LURJTMIESA-N 1 186.211 AA -1.02 1 Anodyne mid AAAAMO COC(=O)CN1CC[NH2+][C@@H](C)C1=O COC(=O)CN1CCN[C@@H](C)C1=O ZINC000019089411 09/08/37/168090837 CKQUHZRNWWMZNT-LURJTMIESA-N 0 186.211 AA -1.02 0 Anodyne ref AAAARN COC(=O)CN1CCN[C@@H](C)C1=O COC(=O)CN1CCN[C@H](C)C1=O ZINC000019089415 09/20/16/168092016 CKQUHZRNWWMZNT-ZCFIWIBFSA-N 1 186.211 AA -1.02 1 Anodyne mid AAAAMO COC(=O)CN1CC[NH2+][C@H](C)C1=O COC(=O)CN1CCN[C@H](C)C1=O ZINC000019089415 09/20/14/168092014 CKQUHZRNWWMZNT-ZCFIWIBFSA-N 0 186.211 AA -1.02 0 Anodyne ref AAAARN COC(=O)CN1CCN[C@H](C)C1=O NC(=O)CN1CCNCC1 ZINC000019230101 15/06/18/169150618 VNRJGEMERJZKLQ-UHFFFAOYSA-N 0 143.19 AA -1.623 3 Anodyne high AAAAHN NC(=O)CN1CCNCC1 NC(=O)CN1CCNCC1 ZINC000019230101 15/06/16/169150616 VNRJGEMERJZKLQ-UHFFFAOYSA-N 1 143.19 AA -1.623 0 Anodyne ref AAAARO NC(=O)CN1CC[NH2+]CC1 OCCN1CCNCC1 ZINC000019230137 38/78/49/351387849 WFCSWCVEJLETKA-UHFFFAOYSA-N 1 130.191 AA -1.116 0 Anodyne ref AAAARO OCCN1CC[NH2+]CC1 in-vitro COC(=O)[C@@H](N)CO ZINC000019230192 10/75/13/168107513 ANSUDRATXSJBLY-VKHMYHEASA-N 1 119.12 AA -1.521 1 Anodyne mid AAAAMO COC(=O)[C@@H]([NH3+])CO in-vitro COC(=O)[C@@H](N)CO ZINC000019230192 10/75/11/168107511 ANSUDRATXSJBLY-VKHMYHEASA-N 0 119.12 AA -1.521 0 Anodyne ref AAAARN COC(=O)[C@@H](N)CO in-vitro COC(=O)[C@H](N)CO ZINC000019230193 11/86/16/168118616 ANSUDRATXSJBLY-GSVOUGTGSA-N 1 119.12 AA -1.521 1 Anodyne mid AAAAMO COC(=O)[C@H]([NH3+])CO in-vitro COC(=O)[C@H](N)CO ZINC000019230193 11/86/13/168118613 ANSUDRATXSJBLY-GSVOUGTGSA-N 0 119.12 AA -1.521 0 Anodyne ref AAAARN COC(=O)[C@H](N)CO in-vitro N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000019300962 25/70/55/169257055 REXPOWCRPFUCHS-QWWZWVQMSA-N 0 151.187 AA -1.897 3 Anodyne high AAAAHN N[C@@H]1CS(=O)(=O)C[C@H]1O N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000019300962 25/70/53/169257053 REXPOWCRPFUCHS-QWWZWVQMSA-N 0 151.187 AA -1.897 0 Anodyne ref AAAARN [NH3+][C@@H]1CS(=O)(=O)C[C@H]1O NCC(=O)N1CCNC(=O)C1 ZINC000019512728 17/52/82/169175282 MLLGOSAGNRZBRA-UHFFFAOYSA-N 0 157.173 AA -2.096 1 Anodyne mid AAAAMN NCC(=O)N1CCNC(=O)C1 NCC(=O)N1CCNC(=O)C1 ZINC000019512728 17/52/80/169175280 MLLGOSAGNRZBRA-UHFFFAOYSA-N 1 157.173 AA -2.096 0 Anodyne ref AAAARO [NH3+]CC(=O)N1CCNC(=O)C1 COC(=O)C[C@H]1NCCNC1=O ZINC000036007030 09/67/32/168096732 IPEHBEGTVNYMPV-RXMQYKEDSA-N 1 172.184 AA -1.362 2 Anodyne low AAAALO COC(=O)C[C@H]1[NH2+]CCNC1=O COC(=O)C[C@H]1NCCNC1=O ZINC000036007030 09/67/30/168096730 IPEHBEGTVNYMPV-RXMQYKEDSA-N 1 172.184 AA -1.362 0 Anodyne ref AAAARO COC(=O)C[C@H]1NCCNC1=O COC(=O)C[C@@H]1NCCNC1=O ZINC000036007031 09/46/91/168094691 IPEHBEGTVNYMPV-YFKPBYRVSA-N 1 172.184 AA -1.362 2 Anodyne low AAAALO COC(=O)C[C@@H]1[NH2+]CCNC1=O COC(=O)C[C@@H]1NCCNC1=O ZINC000036007031 09/46/87/168094687 IPEHBEGTVNYMPV-YFKPBYRVSA-N 1 172.184 AA -1.362 0 Anodyne ref AAAARO COC(=O)C[C@@H]1NCCNC1=O COC(=O)C(N)C(=O)OC ZINC000036532919 08/00/63/168080063 MHDFJESNGMDHQD-UHFFFAOYSA-N 0 147.13 AA -1.34 0 Anodyne ref AAAARN COC(=O)C(N)C(=O)OC O=C1CNC(=O)[C@@H](C(=O)O)N1 ZINC000076592919 37/82/30/169378230 CPCFVPKLPLOBDR-VKHMYHEASA-N -1 158.113 AA -2.314 0 Anodyne ref AAAARM O=C1CNC(=O)[C@@H](C(=O)[O-])N1