Cn1ncc(Cl)c1C(=O)O ZINC000000031786 06/48/51/169064851 SOCMTMNWGCJGLA-UHFFFAOYSA-N -1 160.56 AC 0.772 0 Anodyne ref ACAARM Cn1ncc(Cl)c1C(=O)[O-] CCOC(=O)Cc1csc(N)n1 ZINC000000035856 34/02/73/167340273 SHQNGLYXRFCPGZ-UHFFFAOYSA-N 0 186.236 AC 0.831 0 Anodyne ref ACAARN CCOC(=O)Cc1csc(N)n1 Cc1nc(N)sc1C(=O)N(C)C ZINC000000035866 92/45/91/342924591 DVJPMCANMMJVQH-UHFFFAOYSA-N 0 185.252 AC 0.736 0 Anodyne ref ACAARN Cc1nc(N)sc1C(=O)N(C)C O=C(O)c1ccc(-n2cnnn2)cc1 ZINC000000036461 35/78/82/169357882 DNFUQGMGGZFYPL-UHFFFAOYSA-N -1 190.162 AC 0.36 0 Anodyne ref ACAARM O=C([O-])c1ccc(-n2cnnn2)cc1 Cc1n[nH]c(C)c1N ZINC000000039481 92/45/42/342924542 LNVWRBNPXCUYJI-UHFFFAOYSA-N 0 111.148 AC 0.609 0 Anodyne ref ACAARN Cc1n[nH]c(C)c1N Cc1cc(C)n2nc(C(=O)O)nc2n1 ZINC000000039681 92/46/07/342924607 LIVBNPDDJKFYDF-UHFFFAOYSA-N -1 192.178 AC 0.439 0 Anodyne ref ACAARM Cc1cc(C)n2nc(C(=O)[O-])nc2n1 CCC(=O)N1CCC[C@H]1C(=O)O ZINC000000039735 92/45/52/342924552 DAOGFHQPAHSMQS-LURJTMIESA-N -1 171.196 AC 0.472 0 Anodyne ref ACAARM CCC(=O)N1CCC[C@H]1C(=O)[O-] in-vitro CCC(=O)N1CCC[C@@H]1C(=O)O ZINC000000039736 92/45/31/342924531 DAOGFHQPAHSMQS-ZCFIWIBFSA-N -1 171.196 AC 0.472 0 Anodyne ref ACAARM CCC(=O)N1CCC[C@@H]1C(=O)[O-] in-vitro O=C(O)CNC(=O)c1cccs1 ZINC000000043548 34/15/89/169341589 NXTJGIBOVGESBV-UHFFFAOYSA-N -1 185.204 AC 0.562 0 Anodyne ref ACAARM O=C([O-])CNC(=O)c1cccs1 Cc1n[nH]c(C)c1[N+](=O)[O-] ZINC000000049624 92/49/90/342924990 OFQCJVVJRNPSET-UHFFFAOYSA-N 0 141.13 AC 0.935 0 Bother ref ACBARN Cc1n[nH]c(C)c1[N+](=O)[O-] Nc1ccc(C(=O)O)c([N+](=O)[O-])c1 ZINC000000052613 29/12/41/169291241 SAJYSJVBNGUWJK-UHFFFAOYSA-N -1 182.135 AC 0.875 0 Bother ref ACBARM Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 NC(=O)COc1ccc(C=O)cc1 ZINC000000054240 15/41/94/169154194 FLPJVCMIKUWSDR-UHFFFAOYSA-N 0 179.175 AC 0.363 0 Anodyne ref ACAARN NC(=O)COc1ccc(C=O)cc1 O=C(O)[C@@H]1COc2ccccc2O1 ZINC000000054811 34/88/91/169348891 HMBHAQMOBKLWRX-QMMMGPOBSA-N -1 180.159 AC 0.911 0 Anodyne ref ACAARM O=C([O-])[C@@H]1COc2ccccc2O1 in-vitro O=C(O)[C@H]1COc2ccccc2O1 ZINC000000054812 35/36/40/169353640 HMBHAQMOBKLWRX-MRVPVSSYSA-N -1 180.159 AC 0.911 0 Anodyne ref ACAARM O=C([O-])[C@H]1COc2ccccc2O1 in-vitro Cc1cc2c(=O)n(N)c(C)nc2s1 ZINC000000059003 78/43/93/168784393 PSLGAMKWMYXUSC-UHFFFAOYSA-N 0 195.247 AC 0.789 0 Anodyne ref ACAARN Cc1cc2c(=O)n(N)c(C)nc2s1 Cc1n[nH]c(C)c1CN ZINC000000064910 92/52/92/342925292 YJVZLKBKPGYLJW-UHFFFAOYSA-N 0 125.175 AC 0.485 3 Anodyne high ACAAHN Cc1n[nH]c(C)c1CN Cc1n[nH]c(C)c1CN ZINC000000064910 92/52/89/342925289 YJVZLKBKPGYLJW-UHFFFAOYSA-N 1 125.175 AC 0.485 0 Anodyne ref ACAARO Cc1n[nH]c(C)c1C[NH3+] Cc1cc(C)n(CC(=O)O)n1 ZINC000000070386 92/58/09/342925809 JYSWEDYPQJOEPO-UHFFFAOYSA-N -1 154.169 AC 0.585 0 Anodyne ref ACAARM Cc1cc(C)n(CC(=O)[O-])n1 NC(=O)c1ccsc1N ZINC000000078193 92/60/00/342926000 WHZIZZOTISTHCT-UHFFFAOYSA-N 0 142.183 AC 0.429 0 Clean ref ACCARN NC(=O)c1ccsc1N O=C(O)CCn1nnc2ccccc21 ZINC000000085912 34/04/70/169340470 NZNPMUUOXMZCBF-UHFFFAOYSA-N -1 191.19 AC 0.906 0 Anodyne ref ACAARM O=C([O-])CCn1nnc2ccccc21 COC(=O)c1sc(N)nc1C ZINC000000107756 13/93/56/168139356 TYUGYIMCRDPMPJ-UHFFFAOYSA-N 0 172.209 AC 0.82 0 Anodyne ref ACAARN COC(=O)c1sc(N)nc1C Cn1cc(C=O)cn1 ZINC000000109495 03/85/12/169038512 MYFZXSOYJVWTBL-UHFFFAOYSA-N 0 110.116 AC 0.233 0 Anodyne ref ACAARN Cn1cc(C=O)cn1 C[C@H](N)C(=O)N1CCCCC1 ZINC000000112495 92/69/76/342926976 WHBVSWNJAJECCU-ZETCQYMHSA-N 0 156.229 AC 0.346 3 Anodyne high ACAAHN C[C@H](N)C(=O)N1CCCCC1 C[C@H](N)C(=O)N1CCCCC1 ZINC000000112495 92/69/73/342926973 WHBVSWNJAJECCU-ZETCQYMHSA-N 1 156.229 AC 0.346 0 Anodyne ref ACAARO C[C@H]([NH3+])C(=O)N1CCCCC1 C[C@@H](N)C(=O)N1CCCCC1 ZINC000000112499 35/84/10/168358410 WHBVSWNJAJECCU-SSDOTTSWSA-N 0 156.229 AC 0.346 3 Anodyne high ACAAHN C[C@@H](N)C(=O)N1CCCCC1 C[C@@H](N)C(=O)N1CCCCC1 ZINC000000112499 35/84/08/168358408 WHBVSWNJAJECCU-SSDOTTSWSA-N 1 156.229 AC 0.346 0 Anodyne ref ACAARO C[C@@H]([NH3+])C(=O)N1CCCCC1 Cc1noc(C)c1C(=O)O ZINC000000112526 92/67/41/342926741 IJEUISLJVBUNRE-UHFFFAOYSA-N -1 141.126 AC 0.99 0 Anodyne ref ACAARM Cc1noc(C)c1C(=O)[O-] CC(=O)c1ccc(-n2cnnn2)cc1 ZINC000000114163 32/18/28/166321828 QRBRBXFYBWGBPP-UHFFFAOYSA-N 0 188.19 AC 0.865 0 Anodyne ref ACAARN CC(=O)c1ccc(-n2cnnn2)cc1 Clc1ccc(N2CCOCC2)nn1 ZINC000000115178 17/84/51/132178451 QDXCFLKGKSWHMI-UHFFFAOYSA-N 0 199.641 AC 0.967 0 Anodyne ref ACAARN Clc1ccc(N2CCOCC2)nn1 Nc1nnc(C2CC2)s1 ZINC000000115392 31/11/03/169311103 AVLUMBXGKFNNAS-UHFFFAOYSA-N 0 141.199 AC 0.998 0 Anodyne ref ACAARN Nc1nnc(C2CC2)s1 in-vitro NC(=O)c1c(N)sc2c1CCC2 ZINC000000117721 16/41/92/169164192 CIYGFKXNRTYHLB-UHFFFAOYSA-N 0 182.248 AC 0.918 0 Anodyne ref ACAARN NC(=O)c1c(N)sc2c1CCC2 Cc1nn(CC(=O)O)c(C)c1[N+](=O)[O-] ZINC000000126525 92/71/98/342927198 BFNTYPOJGJVSTK-UHFFFAOYSA-N -1 199.166 AC 0.493 0 Bother ref ACBARM Cc1nn(CC(=O)[O-])c(C)c1[N+](=O)[O-] CNC(=O)c1ccc(N)cc1 ZINC000000136207 92/76/68/342927668 XAGFYNSCWICYPA-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1ccc(N)cc1 Cc1cc(C)nc(NN)n1 ZINC000000139160 92/76/86/342927686 PHTHKSNCQCCOHM-UHFFFAOYSA-N 1 138.174 AC 0.379 0 Anodyne ref ACAARO Cc1cc(C)[nH+]c(NN)n1 CC(C)NC(=O)CC#N ZINC000000152958 92/85/42/342928542 LOAHXFVORLJMML-UHFFFAOYSA-N 0 126.159 AC 0.425 0 Mild ref ACEARN CC(C)NC(=O)CC#N NCc1ccc(O)cc1 ZINC000000153933 22/31/37/169223137 RQJDUEKERVZLLU-UHFFFAOYSA-N 1 123.155 AC 0.851 0 Anodyne ref ACAARO [NH3+]Cc1ccc(O)cc1 in-man endogenous C1CC(C2CCNCC2)CCN1 ZINC000000155347 08/43/12/166084312 PRNRUOJLUPUJDN-UHFFFAOYSA-N 2 168.284 AC 0.986 0 Anodyne ref ACAARP C1CC(C2CC[NH2+]CC2)CC[NH2+]1 CC1(C)OC(=O)C[C@@H]1C(=O)O ZINC000000155692 99/23/85/170992385 UZBOWOQARWWIER-SCSAIBSYSA-N -1 158.153 AC 0.413 0 Anodyne ref ACAARM CC1(C)OC(=O)C[C@@H]1C(=O)[O-] CC1(C)OC(=O)C[C@H]1C(=O)O ZINC000000155693 99/22/21/170992221 UZBOWOQARWWIER-BYPYZUCNSA-N -1 158.153 AC 0.413 0 Anodyne ref ACAARM CC1(C)OC(=O)C[C@H]1C(=O)[O-] Nc1cccc2nonc12 ZINC000000158119 29/79/31/169297931 IPCMVRZVNJHUHR-UHFFFAOYSA-N 0 135.126 AC 0.805 0 Anodyne ref ACAARN Nc1cccc2nonc12 Cc1n[nH]c(C)c1C(=O)O ZINC000000158520 92/97/54/342929754 IOOWDXMXZBYKLR-UHFFFAOYSA-N -1 140.142 AC 0.725 0 Anodyne ref ACAARM Cc1n[nH]c(C)c1C(=O)[O-] in-vitro Cc1cc(C(=O)O)no1 ZINC000000158679 92/97/60/342929760 BNMPIJWVMVNSRD-UHFFFAOYSA-N -1 127.099 AC 0.681 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])no1 in-vitro Cc1cc(CN)no1 ZINC000000158683 92/97/02/342929702 AZVWIMLQRLKLHH-UHFFFAOYSA-N 0 112.132 AC 0.442 1 Anodyne mid ACAAMN Cc1cc(CN)no1 Cc1cc(CN)no1 ZINC000000158683 92/97/01/342929701 AZVWIMLQRLKLHH-UHFFFAOYSA-N 1 112.132 AC 0.442 0 Anodyne ref ACAARO Cc1cc(C[NH3+])no1 Cc1nn(C)c(C)c1C(=O)O ZINC000000158801 92/97/65/342929765 NOIOGQJFLIPRBI-UHFFFAOYSA-N -1 154.169 AC 0.735 0 Anodyne ref ACAARM Cc1nn(C)c(C)c1C(=O)[O-] Cc1nn(C)c(C)c1C=O ZINC000000158804 92/97/48/342929748 HMTUBXVXHHITGO-UHFFFAOYSA-N 0 138.17 AC 0.849 0 Anodyne ref ACAARN Cc1nn(C)c(C)c1C=O Cc1nn(C)c(C)c1CN ZINC000000158807 92/97/96/342929796 DGVBHLRORWEBLP-UHFFFAOYSA-N 0 139.202 AC 0.496 3 Anodyne high ACAAHN Cc1nn(C)c(C)c1CN Cc1nn(C)c(C)c1CN ZINC000000158807 92/97/95/342929795 DGVBHLRORWEBLP-UHFFFAOYSA-N 1 139.202 AC 0.496 0 Anodyne ref ACAARO Cc1nn(C)c(C)c1C[NH3+] NCc1ccc(N2CCOCC2)cc1 ZINC000000158855 17/85/12/132178512 LTILPSKZXNIITC-UHFFFAOYSA-N 1 192.262 AC 0.982 0 Clean ref ACCARO [NH3+]Cc1ccc(N2CCOCC2)cc1 N#CCC(=O)N1CCCC1 ZINC000000159743 09/23/87/169092387 VEUDVNNBYYRZBV-UHFFFAOYSA-N 0 138.17 AC 0.522 0 Mild ref ACEARN N#CCC(=O)N1CCCC1 OCC1CCOCC1 ZINC000000161997 27/26/32/351272632 YSNVSVCWTBLLRW-UHFFFAOYSA-N 0 116.16 AC 0.405 0 Anodyne ref ACAARN OCC1CCOCC1 Cc1nc(C(=N)N)cs1 ZINC000000166456 93/07/29/342930729 SEHSTONTNZCNLJ-UHFFFAOYSA-N 0 141.199 AC 0.736 1 Anodyne mid ACAAMN Cc1nc(C(=N)N)cs1 Cc1nc(C(=N)N)cs1 ZINC000000166456 93/07/27/342930727 SEHSTONTNZCNLJ-UHFFFAOYSA-N 1 141.199 AC 0.736 0 Anodyne ref ACAARO Cc1nc(C(N)=[NH2+])cs1 Nc1n[nH]c2ncccc12 ZINC000000168464 30/33/04/169303304 LUAQTQAFUORQHV-UHFFFAOYSA-N 0 134.142 AC 0.54 1 Anodyne mid ACAAMN Nc1[nH]nc2ncccc12 in-vitro Nc1n[nH]c2ncccc12 ZINC000000168464 30/33/03/169303303 LUAQTQAFUORQHV-UHFFFAOYSA-N 0 134.142 AC 0.54 0 Anodyne ref ACAARN Nc1n[nH]c2ncccc12 in-vitro Cn1nc(N)c2cccnc21 ZINC000000168469 06/21/81/169062181 SHBCCEDOUTZFFW-UHFFFAOYSA-N 0 148.169 AC 0.551 0 Anodyne ref ACAARN Cn1nc(N)c2cccnc21 CC(C)[C@H](N)CC(=O)O ZINC000000170089 93/07/83/342930783 GLUJNGJDHCTUJY-RXMQYKEDSA-N 0 131.175 AC 0.444 0 Anodyne ref ACAARN CC(C)[C@H]([NH3+])CC(=O)[O-] in-vitro CC(C)[C@@H](N)CC(=O)O ZINC000000170090 57/79/57/166577957 GLUJNGJDHCTUJY-YFKPBYRVSA-N 0 131.175 AC 0.444 0 Anodyne ref ACAARN CC(C)[C@@H]([NH3+])CC(=O)[O-] in-man endogenous N[C@H](CC(=O)O)c1ccc(O)cc1 ZINC000000170331 26/38/07/169263807 JYPHNHPXFNEZBR-MRVPVSSYSA-N 0 181.191 AC 0.867 0 Anodyne ref ACAARN [NH3+][C@H](CC(=O)[O-])c1ccc(O)cc1 in-man endogenous N[C@@H](CC(=O)O)c1ccc(O)cc1 ZINC000000170333 24/34/02/169243402 JYPHNHPXFNEZBR-QMMMGPOBSA-N 0 181.191 AC 0.867 0 Anodyne ref ACAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(O)cc1 in-man endogenous CC(C)C[C@H](N)CC(=O)O ZINC000000170350 49/50/94/166495094 MLYMSIKVLAPCAK-LURJTMIESA-N 0 145.202 AC 0.835 0 Anodyne ref ACAARN CC(C)C[C@H]([NH3+])CC(=O)[O-] in-vitro CC(C)C[C@@H](N)CC(=O)O ZINC000000170352 27/36/45/351273645 MLYMSIKVLAPCAK-ZCFIWIBFSA-N 0 145.202 AC 0.835 0 Anodyne ref ACAARN CC(C)C[C@@H]([NH3+])CC(=O)[O-] in-vitro O=C(O)c1cccc(-n2cnnn2)c1 ZINC000000198540 93/16/83/342931683 UNTMKIYQHROFCP-UHFFFAOYSA-N -1 190.162 AC 0.36 0 Anodyne ref ACAARM O=C([O-])c1cccc(-n2cnnn2)c1 NCCc1ccncc1 ZINC000000215300 19/94/21/169199421 IDLHTECVNDEOIY-UHFFFAOYSA-N 1 122.171 AC 0.583 0 Anodyne ref ACAARO [NH3+]CCc1ccncc1 NC[C@@H](O)COCc1ccco1 ZINC000000249239 20/47/65/169204765 QRELYEUKSFYFRQ-SSDOTTSWSA-N 1 171.196 AC 0.116 0 Anodyne ref ACAARO [NH3+]C[C@@H](O)COCc1ccco1 NC[C@H](O)COCc1ccco1 ZINC000000249243 21/27/55/169212755 QRELYEUKSFYFRQ-ZETCQYMHSA-N 1 171.196 AC 0.116 0 Anodyne ref ACAARO [NH3+]C[C@H](O)COCc1ccco1 O=C(O)CCN1CCCCC1 ZINC000000265638 33/79/43/169337943 LPDGWMLCUHULJF-UHFFFAOYSA-N 0 157.213 AC 0.947 0 Anodyne ref ACAARN O=C([O-])CC[NH+]1CCCCC1 Cc1ccn(CCC(=O)O)n1 ZINC000000266938 88/80/56/168888056 FPLLCFQUZAEVIE-UHFFFAOYSA-N -1 154.169 AC 0.666 0 Anodyne ref ACAARM Cc1ccn(CCC(=O)[O-])n1 CC(=O)c1ccc(OCC(N)=O)cc1 ZINC000000269428 32/59/27/166325927 WNPYFCWDYCFXJA-UHFFFAOYSA-N 0 193.202 AC 0.753 0 Anodyne ref ACAARN CC(=O)c1ccc(OCC(N)=O)cc1 COc1cc(N)ccc1-n1cnnn1 ZINC000000269577 23/81/58/168238158 TUPYLXVIGMMVPZ-UHFFFAOYSA-N 0 191.194 AC 0.253 0 Anodyne ref ACAARN COc1cc(N)ccc1-n1cnnn1 CN(CC(=O)O)C(=O)c1ccco1 ZINC000000280872 93/28/52/342932852 XGUIRNHIRGCLJK-UHFFFAOYSA-N -1 183.163 AC 0.436 0 Anodyne ref ACAARM CN(CC(=O)[O-])C(=O)c1ccco1 Nn1nnnc1Nc1ccccc1 ZINC000000282566 31/27/61/169312761 SFOKIBXOKFIPKT-UHFFFAOYSA-N 0 176.183 AC 0.13 0 Anodyne ref ACAARN Nn1nnnc1Nc1ccccc1 O=C(O)Cn1nnc2ccccc21 ZINC000000286042 34/50/59/169345059 QOXXZTPKJWPIDK-UHFFFAOYSA-N -1 177.163 AC 0.516 0 Anodyne ref ACAARM O=C([O-])Cn1nnc2ccccc21 Cn1c(NN)nc2ccccc2c1=O ZINC000000292456 03/50/46/169035046 BQDOAXFBKRUNTF-UHFFFAOYSA-N 0 190.206 AC 0.219 0 Anodyne ref ACAARN Cn1c(NN)nc2ccccc2c1=O in-vivo O=C(O)C[C@H]1NC(=O)c2ccccc21 ZINC000000309653 34/35/11/169343511 ARVSJYVMPQBCTL-MRVPVSSYSA-N -1 191.186 AC 0.946 0 Anodyne ref ACAARM O=C([O-])C[C@H]1NC(=O)c2ccccc21 O=C(O)C[C@@H]1NC(=O)c2ccccc21 ZINC000000309654 93/32/89/342933289 ARVSJYVMPQBCTL-QMMMGPOBSA-N -1 191.186 AC 0.946 0 Anodyne ref ACAARM O=C([O-])C[C@@H]1NC(=O)c2ccccc21 O=C(O)c1ccc(CO)o1 ZINC000000327584 35/73/18/169357318 PCSKKIUURRTAEM-UHFFFAOYSA-N -1 142.11 AC 0.47 0 Anodyne ref ACAARM O=C([O-])c1ccc(CO)o1 in-man endogenous Cc1ccnn1CCC(=O)O ZINC000000327612 93/33/15/342933315 AVWPEIKOPXXROD-UHFFFAOYSA-N -1 154.169 AC 0.666 0 Anodyne ref ACAARM Cc1ccnn1CCC(=O)[O-] Cc1c(CN)cnn1C ZINC000000333395 93/41/46/342934146 YMMVIBHFGRZKPK-UHFFFAOYSA-N 0 125.175 AC 0.187 3 Anodyne high ACAAHN Cc1c(CN)cnn1C in-vitro Cc1c(CN)cnn1C ZINC000000333395 93/41/45/342934145 YMMVIBHFGRZKPK-UHFFFAOYSA-N 1 125.175 AC 0.187 0 Anodyne ref ACAARO Cc1c(C[NH3+])cnn1C in-vitro COc1cc(C(=O)O)ccn1 ZINC000000336011 22/84/11/168228411 DPNDWFVORIGXQO-UHFFFAOYSA-N -1 153.137 AC 0.788 0 Anodyne ref ACAARM COc1cc(C(=O)[O-])ccn1 c1cc(-c2nn[nH]n2)ccn1 ZINC000000336525 27/60/33/351276033 JMILUUVWLRKJFB-UHFFFAOYSA-N -1 147.141 AC 0.262 3 Anodyne high ACAAHM c1cc(-c2nn[n-]n2)ccn1 c1cc(-c2nn[nH]n2)ccn1 ZINC000000336525 27/60/28/351276028 JMILUUVWLRKJFB-UHFFFAOYSA-N -1 147.141 AC 0.262 3 Anodyne high ACAAHM c1cc(-c2nnn[n-]2)ccn1 c1cc(-c2nn[nH]n2)ccn1 ZINC000000336525 27/60/22/351276022 JMILUUVWLRKJFB-UHFFFAOYSA-N 0 147.141 AC 0.262 0 Anodyne ref ACAARN c1cc(-c2nn[nH]n2)ccn1 Cc1nc(N(C)C)ncc1C(=O)O ZINC000000347240 93/48/47/342934847 VPJJRVRVZCLDGF-UHFFFAOYSA-N -1 181.195 AC 0.549 0 Anodyne ref ACAARM Cc1nc(N(C)C)ncc1C(=O)[O-] CCn1cc(C(=O)O)cn1 ZINC000000356346 93/49/17/342934917 BXXOXFNLGLMZSO-UHFFFAOYSA-N -1 140.142 AC 0.601 0 Anodyne ref ACAARM CCn1cc(C(=O)[O-])cn1 Cc1nc(N)sc1C(=O)O ZINC000000356411 94/69/74/168946974 QCVFVGONDMKXEE-UHFFFAOYSA-N -1 158.182 AC 0.732 0 Anodyne ref ACAARM Cc1nc(N)sc1C(=O)[O-] CC(=O)c1cn(C)nc1C ZINC000000375124 33/06/35/166330635 BRJHIUPNDYVERF-UHFFFAOYSA-N 0 138.17 AC 0.931 0 Anodyne ref ACAARN CC(=O)c1cn(C)nc1C Cc1nn(C)cc1C=O ZINC000000380802 98/47/31/168984731 IGJREDVLGVEPFI-UHFFFAOYSA-N 0 124.143 AC 0.541 0 Anodyne ref ACAARN Cc1nn(C)cc1C=O NNc1ccccc1C(=O)O ZINC000000389495 23/88/30/169238830 KFGVDCBVGNMCJC-UHFFFAOYSA-N -1 152.153 AC 0.67 0 Anodyne ref ACAARM NNc1ccccc1C(=O)[O-] COC(=O)c1cc(O)no1 ZINC000000389603 12/81/26/168128126 BBFWUUBQSXVHHZ-UHFFFAOYSA-N -1 143.098 AC 0.167 0 Anodyne ref ACAARM COC(=O)c1cc(=O)[n-]o1 in-vitro O=C(O)C1(O)CCCCC1 ZINC000000390990 93/63/35/342936335 BPOVRAAUERBWFK-UHFFFAOYSA-N -1 144.17 AC 0.766 0 Anodyne ref ACAARM O=C([O-])C1(O)CCCCC1 CCn1nccc1C(=O)O ZINC000000392139 93/68/26/342936826 FSMHDKRQCDWWGZ-UHFFFAOYSA-N -1 140.142 AC 0.601 0 Anodyne ref ACAARM CCn1nccc1C(=O)[O-] in-vitro CCn1ccc(C(=O)O)n1 ZINC000000392140 93/68/25/342936825 YRKRPSDCHZQNDF-UHFFFAOYSA-N -1 140.142 AC 0.601 0 Anodyne ref ACAARM CCn1ccc(C(=O)[O-])n1 CN(C)C1CCNCC1 ZINC000000393639 93/68/11/342936811 YFJAIURZMRJPDB-UHFFFAOYSA-N 1 128.219 AC 0.3 3 Anodyne high ACAAHO C[NH+](C)C1CCNCC1 CN(C)C1CCNCC1 ZINC000000393639 93/68/10/342936810 YFJAIURZMRJPDB-UHFFFAOYSA-N 1 128.219 AC 0.3 3 Anodyne high ACAAHO CN(C)C1CC[NH2+]CC1 CN(C)C1CCNCC1 ZINC000000393639 93/68/09/342936809 YFJAIURZMRJPDB-UHFFFAOYSA-N 2 128.219 AC 0.3 0 Anodyne ref ACAARP C[NH+](C)C1CC[NH2+]CC1 O[C@@H]1Cc2ccccc2C[C@H]1O ZINC000000393877 27/84/35/351278435 DHTGPMXCRKCPTP-NXEZZACHSA-N 0 164.204 AC 0.507 0 Anodyne ref ACABRN O[C@@H]1Cc2ccccc2C[C@H]1O in-vitro O[C@H]1Cc2ccccc2C[C@@H]1O ZINC000000393878 27/85/19/351278519 DHTGPMXCRKCPTP-UWVGGRQHSA-N 0 164.204 AC 0.507 0 Anodyne ref ACABRN O[C@H]1Cc2ccccc2C[C@@H]1O in-vitro CS(=O)(=O)CC(=O)c1ccccc1 ZINC000000395147 29/24/05/168292405 CAUSPZIZBLGLKW-UHFFFAOYSA-N -1 198.243 AC 0.914 0 Anodyne ref ACAARM CS(=O)(=O)C=C([O-])c1ccccc1