Cc1cc([C@@H]2CCCN2)on1 ZINC000000008089 92/42/70/342924270 PJMAXCRZQLWZFH-ZETCQYMHSA-N 1 152.197 AD 1.408 0 Anodyne ref ADAARO Cc1cc([C@@H]2CCC[NH2+]2)on1 Cc1cc([C@H]2CCCN2)on1 ZINC000000008090 92/42/89/342924289 PJMAXCRZQLWZFH-SSDOTTSWSA-N 1 152.197 AD 1.408 0 Anodyne ref ADAARO Cc1cc([C@H]2CCC[NH2+]2)on1 O=Cc1nc2ccccc2[nH]1 ZINC000000039036 26/86/22/351268622 DQOSJWYZDQIMGM-UHFFFAOYSA-N 0 146.149 AD 1.375 0 Anodyne ref ADAARN O=Cc1nc2ccccc2[nH]1 in-vitro O=C(O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000000040472 33/57/87/169335787 CJJMAWPEZKYJAP-JZVMUCMXSA-N -1 196.246 AD 1.402 0 Anodyne ref ADAARM O=C([O-])C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 Cc1cc(C)c(CO)c(C)c1C=O ZINC000000043560 92/50/95/342925095 GJSOCYDNDMREOL-UHFFFAOYSA-N 0 178.231 AD 1.917 0 Anodyne ref ADAARN Cc1cc(C)c(CO)c(C)c1C=O COc1ccc(N2CCCC2=O)cc1 ZINC000000050369 25/47/61/168254761 IDJCCRRYIMWLSQ-UHFFFAOYSA-N 0 191.23 AD 1.822 0 Anodyne ref ADAARN COc1ccc(N2CCCC2=O)cc1 CCn1c(N)nc2ccccc21 ZINC000000053442 92/48/77/342924877 AQOCOHSUICOLQL-UHFFFAOYSA-N 0 161.208 AD 1.638 1 Anodyne mid ADAAMN CCn1c(N)nc2ccccc21 CCn1c(N)nc2ccccc21 ZINC000000053442 92/48/75/342924875 AQOCOHSUICOLQL-UHFFFAOYSA-N 0 161.208 AD 1.638 0 Anodyne ref ADAARN CCn1c(N)[nH+]c2ccccc21 O=C(O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000054929 33/42/05/169334205 WWXMVRYHLZMQIG-SNAWJCMRSA-N -1 193.158 AD 1.693 0 Bother ref ADBARM O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1 in-vitro biogenic Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000000058125 92/53/19/342925319 KVOJTUXGYQVLAJ-UHFFFAOYSA-N -1 192.17 AD 1.513 1 Clean mid ADCAMM Cc1cc(=O)oc2cc([O-])c(O)cc12 aggregator in-vitro biogenic Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000000058125 92/53/17/342925317 KVOJTUXGYQVLAJ-UHFFFAOYSA-N 0 192.17 AD 1.513 0 Clean ref ADCARN Cc1cc(=O)oc2cc(O)c(O)cc12 aggregator in-vitro biogenic Cc1cc(=O)oc2cc(O)cc(O)c12 ZINC000000058126 92/53/00/342925300 QNVWGEJMXOQQPM-UHFFFAOYSA-N -2 192.17 AD 1.513 3 Anodyne high ADAAHL Cc1cc(=O)oc2cc([O-])cc([O-])c12 in-vitro biogenic Cc1cc(=O)oc2cc(O)cc(O)c12 ZINC000000058126 92/52/98/342925298 QNVWGEJMXOQQPM-UHFFFAOYSA-N -1 192.17 AD 1.513 1 Anodyne mid ADAAMM Cc1cc(=O)oc2cc(O)cc([O-])c12 in-vitro biogenic Cc1cc(=O)oc2cc(O)cc(O)c12 ZINC000000058126 92/52/95/342925295 QNVWGEJMXOQQPM-UHFFFAOYSA-N 0 192.17 AD 1.513 0 Anodyne ref ADAARN Cc1cc(=O)oc2cc(O)cc(O)c12 in-vitro biogenic COc1cc(/C=C/C(=O)O)ccc1O ZINC000000058258 22/77/33/168227733 KSEBMYQBYZTDHS-HWKANZROSA-N -1 194.186 AD 1.499 0 Anodyne ref ADAARM COc1cc(/C=C/C(=O)[O-])ccc1O in-man endogenous Cc1ccc(C(=O)/C=C/C(=O)O)cc1 ZINC000000061858 92/53/22/342925322 VNJMEFZKYZHWEO-VOTSOKGWSA-N -1 190.198 AD 1.819 0 Mild ref ADEARM Cc1ccc(C(=O)/C=C/C(=O)[O-])cc1 CNCc1ccsc1 ZINC000000064946 02/04/75/168020475 YZPQZFRRRSIHLR-UHFFFAOYSA-N 1 127.212 AD 1.468 0 Anodyne ref ADAARO C[NH2+]Cc1ccsc1 COc1ccc(/C=C/C(=O)O)cc1 ZINC000000077999 24/33/33/168243333 AFDXODALSZRGIH-QPJJXVBHSA-N -1 178.187 AD 1.793 0 Anodyne ref ADAARM COc1ccc(/C=C/C(=O)[O-])cc1 in-man endogenous O=c1ccc(-c2cccs2)n[nH]1 ZINC000000078707 26/97/17/351269717 LBFRUJCPJHRZLS-UHFFFAOYSA-N 0 178.216 AD 1.498 0 Anodyne ref ADAARN O=c1ccc(-c2cccs2)n[nH]1 CCOC(=O)c1c(C)csc1N ZINC000000080323 36/59/39/167365939 ILYCZKOBLRJJSW-UHFFFAOYSA-N 0 185.248 AD 1.815 0 Anodyne ref ADAARN CCOC(=O)c1c(C)csc1N O=C(O)CCC(=O)Nc1ccccc1 ZINC000000083831 92/57/57/342925757 KTFGFGGLCMGYTP-UHFFFAOYSA-N -1 193.202 AD 1.49 0 Anodyne ref ADAARM O=C([O-])CCC(=O)Nc1ccccc1 world Cc1nc2ccccc2nc1C=O ZINC000000085258 92/64/42/342926442 AZIGGTBMCCWNPW-UHFFFAOYSA-N 0 172.187 AD 1.751 0 Anodyne ref ADAARN Cc1nc2ccccc2nc1C=O in-vitro NNc1ccccc1Br ZINC000000088591 23/84/98/169238498 ZWMQVBSLMQSMDH-UHFFFAOYSA-N 0 187.04 AD 1.735 0 Anodyne ref ADAARN NNc1ccccc1Br CC(C)(C)NC(=O)c1ccccc1N ZINC000000098465 36/39/67/166363967 YHBZJCBYHUVKCM-UHFFFAOYSA-N 0 192.262 AD 1.797 0 Anodyne ref ADAARN CC(C)(C)NC(=O)c1ccccc1N CN1CCC[C@]2(CCCNC2)C1 ZINC000000106618 92/70/11/342927011 HHIKCULWCMZQRO-JTQLQIEISA-N 1 168.284 AD 1.082 1 Anodyne mid ADAAMO CN1CCC[C@]2(CCC[NH2+]C2)C1 CN1CCC[C@]2(CCCNC2)C1 ZINC000000106618 92/70/09/342927009 HHIKCULWCMZQRO-JTQLQIEISA-N 2 168.284 AD 1.082 1 Anodyne mid ADAAMP C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 CN1CCC[C@]2(CCCNC2)C1 ZINC000000106618 92/70/07/342927007 HHIKCULWCMZQRO-JTQLQIEISA-N 2 168.284 AD 1.082 0 Anodyne ref ADAARP C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 CN1CCC[C@@]2(CCCNC2)C1 ZINC000000106624 92/67/27/342926727 HHIKCULWCMZQRO-SNVBAGLBSA-N 1 168.284 AD 1.082 1 Anodyne mid ADAAMO CN1CCC[C@@]2(CCC[NH2+]C2)C1 CN1CCC[C@@]2(CCCNC2)C1 ZINC000000106624 92/67/26/342926726 HHIKCULWCMZQRO-SNVBAGLBSA-N 2 168.284 AD 1.082 1 Anodyne mid ADAAMP C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 CN1CCC[C@@]2(CCCNC2)C1 ZINC000000106624 92/67/22/342926722 HHIKCULWCMZQRO-SNVBAGLBSA-N 2 168.284 AD 1.082 0 Anodyne ref ADAARP C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 Nc1cccc(Cl)c1CCO ZINC000000106658 29/65/66/169296566 PVBOKNRVNJCKRR-UHFFFAOYSA-N 0 171.627 AD 1.457 0 Anodyne ref ADAARN Nc1cccc(Cl)c1CCO Nc1ccccc1C(=O)N1CCCC1 ZINC000000106731 29/88/48/169298848 AAHCONIDGZPHOL-UHFFFAOYSA-N 0 190.246 AD 1.505 0 Anodyne ref ADAARN Nc1ccccc1C(=O)N1CCCC1 CN(C)/C=C/C(=O)c1ccccn1 ZINC000000109815 92/69/30/342926930 BWERGHWJEBQNQV-SOFGYWHQSA-N 0 176.219 AD 1.34 0 Mild ref ADEARN CN(C)/C=C/C(=O)c1ccccn1 CN(C)/C=C/C(=O)c1ccncc1 ZINC000000109844 92/69/07/342926907 JZGHSXBVKSMAKH-VMPITWQZSA-N 0 176.219 AD 1.34 0 Mild ref ADEARN CN(C)/C=C/C(=O)c1ccncc1 CN(C)/C=C/C(=O)c1cccnc1 ZINC000000109849 92/68/46/342926846 MZLRFUCMBQWLNV-FNORWQNLSA-N 0 176.219 AD 1.34 0 Mild ref ADEARN CN(C)/C=C/C(=O)c1cccnc1 CCOC(=O)c1cc(C)on1 ZINC000000118737 36/86/75/167368675 OCCIGHIQVMLYBZ-UHFFFAOYSA-N 0 155.153 AD 1.16 0 Anodyne ref ADAARN CCOC(=O)c1cc(C)on1 CCOC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000000118764 36/96/44/167369644 RCXMILPYEKVQLB-UHFFFAOYSA-N 0 196.25 AD 1.884 0 Anodyne ref ADAARN CCOC(=O)c1cc(C(C)(C)C)[nH]n1 COc1ccc(NC(C)=O)cc1N ZINC000000120146 25/54/95/168255495 SJWQCBCAGCEWCV-UHFFFAOYSA-N 0 180.207 AD 1.236 0 Anodyne ref ADAARN COc1ccc(NC(C)=O)cc1N OC[C@@H]1CCCN1Cc1ccccc1 ZINC000000120477 27/05/92/351270592 ZAIQBJPTOXDDKA-LBPRGKRZSA-N 1 191.274 AD 1.643 1 Anodyne mid ADAAMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1 OC[C@@H]1CCCN1Cc1ccccc1 ZINC000000120477 27/05/89/351270589 ZAIQBJPTOXDDKA-LBPRGKRZSA-N 1 191.274 AD 1.643 0 Anodyne ref ADAARO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1 OC[C@H]1CCCN1Cc1ccccc1 ZINC000000120486 27/08/34/351270834 ZAIQBJPTOXDDKA-GFCCVEGCSA-N 1 191.274 AD 1.643 1 Anodyne mid ADAAMO OC[C@H]1CCC[N@H+]1Cc1ccccc1 OC[C@H]1CCCN1Cc1ccccc1 ZINC000000120486 27/08/30/351270830 ZAIQBJPTOXDDKA-GFCCVEGCSA-N 1 191.274 AD 1.643 0 Anodyne ref ADAARO OC[C@H]1CCC[N@@H+]1Cc1ccccc1 Cc1cccc(C)c1OCC(=O)O ZINC000000120508 86/36/86/168863686 MLBCURLNKYKBEQ-UHFFFAOYSA-N -1 180.203 AD 1.767 0 Anodyne ref ADAARM Cc1cccc(C)c1OCC(=O)[O-] in-vivo CCc1ccc(O)c(N)c1 ZINC000000125075 92/72/98/342927298 LUKYIMOTPSTGQB-UHFFFAOYSA-N 0 137.182 AD 1.537 0 Anodyne ref ADAARN CCc1ccc(O)c(N)c1 Cc1c(C#N)c(=O)[nH]c2ccccc12 ZINC000000127862 70/53/44/168705344 XNWOEPJJGKULBS-UHFFFAOYSA-N 0 184.198 AD 1.708 0 Mild ref ADEARN Cc1c(C#N)c(=O)[nH]c2ccccc12 Cn1cnnc1-c1cccc(N)c1 ZINC000000129595 05/85/91/169058591 YSSZZGGTNQQAPU-UHFFFAOYSA-N 0 174.207 AD 1.064 0 Anodyne ref ADAARN Cn1cnnc1-c1cccc(N)c1 NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000000138981 14/74/70/169147470 CKBZJTAMRPPVSR-UHFFFAOYSA-N 0 179.263 AD 1.688 0 Anodyne ref ADAARN NC(=O)C12CC3CC(CC(C3)C1)C2 in-vitro CN(C)/C=C/C(=O)c1ccco1 ZINC000000142361 81/86/25/167818625 FZMFPCLBMUFJGR-AATRIKPKSA-N 0 165.192 AD 1.538 0 Mild ref ADEARN CN(C)/C=C/C(=O)c1ccco1 O=C(O)/C=C/c1ccc2c(c1)OCO2 ZINC000000152476 33/46/05/169334605 QFQYZMGOKIROEC-DUXPYHPUSA-N -1 192.17 AD 1.513 0 Anodyne ref ADAARM O=C([O-])/C=C/c1ccc2c(c1)OCO2 in-vitro CC(=O)Nc1ccc(C)cc1N ZINC000000152518 28/44/51/166284451 JBJRVPVZADJOOX-UHFFFAOYSA-N 0 164.208 AD 1.536 0 Anodyne ref ADAARN CC(=O)Nc1ccc(C)cc1N COc1ccc(Cl)nn1 ZINC000000152973 25/28/50/168252850 XBJLKXOOHLLTPG-UHFFFAOYSA-N 0 144.561 AD 1.139 0 Anodyne ref ADAARN COc1ccc(Cl)nn1 Cc1ccc(Cl)nn1 ZINC000000152979 92/85/71/342928571 PRORLQAJNJMGAR-UHFFFAOYSA-N 0 128.562 AD 1.438 0 Anodyne ref ADAARN Cc1ccc(Cl)nn1 in-vitro O=C(O)/C=C/c1ccccc1F ZINC000000153566 33/48/05/169334805 IOUDZAFBPDDAMK-AATRIKPKSA-N -1 166.151 AD 1.923 0 Anodyne ref ADAARM O=C([O-])/C=C/c1ccccc1F O=[N+]([O-])c1ccc2c(c1)NCC2 ZINC000000153773 92/85/65/342928565 LTNYDSMDSLOMSM-UHFFFAOYSA-N 0 164.164 AD 1.563 0 Bother ref ADBARN O=[N+]([O-])c1ccc2c(c1)NCC2 CC(=O)N1CCc2ccc(N)cc21 ZINC000000153931 26/74/75/166267475 LOZKZWIQDVEDCQ-UHFFFAOYSA-N 0 176.219 AD 1.178 0 Anodyne ref ADAARN CC(=O)N1CCc2ccc(N)cc21 O=C(O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000154472 33/48/61/169334861 BBQDLDVSEDAYAA-AATRIKPKSA-N -1 193.158 AD 1.693 0 Bother ref ADBARM O=C([O-])/C=C/c1ccccc1[N+](=O)[O-] NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000000154485 15/83/22/169158322 QYYHPAUOLCHORH-UHFFFAOYSA-N 0 194.278 AD 1.623 0 Anodyne ref ADAARN NC(=O)NC12CC3CC(CC(C3)C1)C2 O=C(O)/C=C/c1cccs1 ZINC000000154897 33/48/98/169334898 KKMZQOIASVGJQE-ONEGZZNKSA-N -1 154.19 AD 1.846 0 Anodyne ref ADAARM O=C([O-])/C=C/c1cccs1 CCOC(=O)CN1CCCCC1 ZINC000000155331 33/23/51/167332351 LXZHLNWWDDNIOJ-UHFFFAOYSA-N 1 171.24 AD 1.035 1 Anodyne mid ADAAMO CCOC(=O)C[NH+]1CCCCC1 CCOC(=O)CN1CCCCC1 ZINC000000155331 33/23/47/167332347 LXZHLNWWDDNIOJ-UHFFFAOYSA-N 0 171.24 AD 1.035 0 Anodyne ref ADAARN CCOC(=O)CN1CCCCC1 CCOC(=O)c1c(CC)noc1C ZINC000000156187 36/61/38/167366138 JDWLDZUUTIPZHV-UHFFFAOYSA-N 0 183.207 AD 1.722 0 Anodyne ref ADAARN CCOC(=O)c1c(CC)noc1C COc1ccc(CC(=O)O)c(OC)c1 ZINC000000156375 25/01/55/168250155 ZFXFMGARFHRTTO-UHFFFAOYSA-N -1 196.202 AD 1.331 0 Anodyne ref ADAARM COc1ccc(CC(=O)[O-])c(OC)c1 in-vitro CC(=O)c1ccc(O)c(O)c1O ZINC000000156821 32/56/53/166325653 XIROXSOOOAZHLL-UHFFFAOYSA-N -1 168.148 AD 1.006 3 Clean high ADCAHM CC(=O)c1ccc([O-])c(O)c1O in-vitro CC(=O)c1ccc(O)c(O)c1O ZINC000000156821 32/56/43/166325643 XIROXSOOOAZHLL-UHFFFAOYSA-N 0 168.148 AD 1.006 0 Clean ref ADCARN CC(=O)c1ccc(O)c(O)c1O in-vitro O/N=C/c1ccsc1 ZINC000000157006 31/43/78/169314378 CPCZUXSHORSJIZ-ZZXKWVIFSA-N 0 127.168 AD 1.556 0 Mild ref ADEARN O/N=C/c1ccsc1 CCOC(=O)c1c(C)noc1C ZINC000000157366 36/54/16/167365416 OQRHVDXUJAQVNT-UHFFFAOYSA-N 0 169.18 AD 1.468 0 Anodyne ref ADAARN CCOC(=O)c1c(C)noc1C CC(=O)c1c(O)cc(O)cc1O ZINC000000157773 31/68/10/166316810 XLEYFDVVXLMULC-UHFFFAOYSA-N -1 168.148 AD 1.006 3 Anodyne high ADAAHM CC(=O)c1c(O)cc([O-])cc1O in-man endogenous CC(=O)c1c(O)cc(O)cc1O ZINC000000157773 31/68/08/166316808 XLEYFDVVXLMULC-UHFFFAOYSA-N 0 168.148 AD 1.006 0 Anodyne ref ADAARN CC(=O)c1c(O)cc(O)cc1O in-man endogenous O=C(O)c1ccnc2ccccc12 ZINC000000158606 35/94/58/169359458 VQMSRUREDGBWKT-UHFFFAOYSA-N -1 173.171 AD 1.933 0 Anodyne ref ADAARM O=C([O-])c1ccnc2ccccc12 biogenic in-vivo Cc1nc(C)c(C(=O)O)s1 ZINC000000158615 92/97/19/342929719 MQGBARXPCXAFRZ-UHFFFAOYSA-N -1 157.194 AD 1.458 0 Anodyne ref ADAARM Cc1nc(C)c(C(=O)[O-])s1 in-vitro O=C(O)c1ccc2ncsc2c1 ZINC000000158619 92/97/85/342929785 DMPZJACLHDWUFS-UHFFFAOYSA-N -1 179.2 AD 1.994 0 Anodyne ref ADAARM O=C([O-])c1ccc2ncsc2c1 O=C(O)c1nc2ccccc2s1 ZINC000000158621 92/97/94/342929794 UUVDQMYRPUHXPB-UHFFFAOYSA-N -1 179.2 AD 1.994 0 Anodyne ref ADAARM O=C([O-])c1nc2ccccc2s1 O=C(O)c1nc2ccccc2[nH]1 ZINC000000158649 99/20/19/170992019 RHXSYTACTOMVLJ-UHFFFAOYSA-N -1 162.148 AD 1.261 0 Anodyne ref ADAARM O=C([O-])c1nc2ccccc2[nH]1 in-vivo Nc1ccc2nccnc2c1 ZINC000000158699 29/55/34/169295534 MSGRFBKVMUKEGZ-UHFFFAOYSA-N 0 145.165 AD 1.212 0 Anodyne ref ADAARN Nc1ccc2nccnc2c1 c1cncc(CNCc2ccco2)c1 ZINC000000158749 92/97/41/342929741 MZMZQNAMCDNTOE-UHFFFAOYSA-N 1 188.23 AD 1.964 1 Anodyne mid ADAAMO c1cncc(C[NH2+]Cc2ccco2)c1 c1cncc(CNCc2ccco2)c1 ZINC000000158749 92/97/40/342929740 MZMZQNAMCDNTOE-UHFFFAOYSA-N 0 188.23 AD 1.964 0 Anodyne ref ADAARN c1cncc(CNCc2ccco2)c1 O=C(O)c1ccsc1 ZINC000000158755 35/91/82/169359182 YNVOMSDITJMNET-UHFFFAOYSA-N -1 128.152 AD 1.446 0 Anodyne ref ADAARM O=C([O-])c1ccsc1 NCc1ccsc1 ZINC000000158761 22/56/27/169225627 DUDAKCCDHRNMDJ-UHFFFAOYSA-N 0 113.185 AD 1.207 3 Anodyne high ADAAHN NCc1ccsc1 in-vitro NCc1ccsc1 ZINC000000158761 22/56/26/169225626 DUDAKCCDHRNMDJ-UHFFFAOYSA-N 1 113.185 AD 1.207 0 Anodyne ref ADAARO [NH3+]Cc1ccsc1 in-vitro O=C(O)c1ccc(-n2cccn2)cc1 ZINC000000158878 35/78/80/169357880 XOEKYPIBVOGCDG-UHFFFAOYSA-N -1 188.186 AD 1.57 0 Anodyne ref ADAARM O=C([O-])c1ccc(-n2cccn2)cc1 Nc1ccc(-n2cccn2)cc1 ZINC000000158887 29/06/87/169290687 CSFIQHZIFKIQNO-UHFFFAOYSA-N 0 159.192 AD 1.454 0 Clean ref ADCARN Nc1ccc(-n2cccn2)cc1 CCOC(=O)c1snnc1C ZINC000000159323 37/81/43/167378143 AHPXTXGCMLOXGA-UHFFFAOYSA-N 0 172.209 AD 1.023 0 Anodyne ref ADAARN CCOC(=O)c1snnc1C O=C1CCCN1c1cccc(O)c1 ZINC000000161262 37/19/26/169371926 YZVOLCQVEKXPHT-UHFFFAOYSA-N 0 177.203 AD 1.519 0 Anodyne ref ADAARN O=C1CCCN1c1cccc(O)c1 O=C(O)/C=C/c1ccncc1 ZINC000000161450 33/47/33/169334733 SSAYTINUCCRGDR-OWOJBTEDSA-N -1 149.149 AD 1.179 0 Anodyne ref ADAARM O=C([O-])/C=C/c1ccncc1 in-vitro OC12CC3CC(C1)CC(O)(C3)C2 ZINC000000162333 27/25/58/351272558 MOLCWHCSXCKHAP-UHFFFAOYSA-N 0 168.236 AD 1.062 0 Anodyne ref ADAARN OC12CC3CC(C1)CC(O)(C3)C2 in-vitro COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000000162618 24/53/17/168245317 VXLKYQQBEPCMJE-UHFFFAOYSA-N 0 195.174 AD 1.806 0 Bother ref ADBARN COc1ccc(C(C)=O)cc1[N+](=O)[O-] Cc1cc(C#N)cc(C)c1O ZINC000000162656 93/01/86/342930186 WFYGXOWFEIOHCZ-UHFFFAOYSA-N -1 147.177 AD 1.881 3 Mild high ADEAHM Cc1cc(C#N)cc(C)c1[O-] Cc1cc(C#N)cc(C)c1O ZINC000000162656 93/01/85/342930185 WFYGXOWFEIOHCZ-UHFFFAOYSA-N 0 147.177 AD 1.881 0 Mild ref ADEARN Cc1cc(C#N)cc(C)c1O Cc1ccc2oc(=O)[nH]c2c1 ZINC000000163634 93/04/88/342930488 GBLBFWAKNXWFFS-UHFFFAOYSA-N 0 149.149 AD 1.43 0 Anodyne ref ADAARN Cc1ccc2oc(=O)[nH]c2c1 Cc1ccc2[nH]c(=O)oc2c1 ZINC000000163636 93/04/32/342930432 SAQACWOVZKNHSB-UHFFFAOYSA-N 0 149.149 AD 1.43 0 Anodyne ref ADAARN Cc1ccc2[nH]c(=O)oc2c1 Nc1ccc2ncccc2c1 ZINC000000163693 29/54/38/169295438 RJSRSRITMWVIQT-UHFFFAOYSA-N 0 144.177 AD 1.817 0 Anodyne ref ADAARN Nc1ccc2ncccc2c1 in-vitro Cc1cccc(NC(=S)NN)c1 ZINC000000164197 86/91/23/168869123 JDWNBXPSQBZKSC-UHFFFAOYSA-N 0 181.264 AD 1.155 0 Anodyne ref ADAARN Cc1cccc(NC(=S)NN)c1 O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000164538 33/42/65/169334265 XMMRNCHTDONGRJ-ZZXKWVIFSA-N -1 193.158 AD 1.693 0 Bother ref ADBARM O=C([O-])/C=C/c1ccc([N+](=O)[O-])cc1 in-vitro biogenic O=C(O)c1c[nH]c(-c2ccccc2)n1 ZINC000000164985 35/58/17/169355817 XCAXKZJNJCKTQH-UHFFFAOYSA-N -1 188.186 AD 1.775 0 Anodyne ref ADAARM O=C([O-])c1c[nH]c(-c2ccccc2)n1 in-vivo O=[N+]([O-])c1ccc2nccnc2c1 ZINC000000167696 99/29/60/170992960 YLKFDRWBZAALPN-UHFFFAOYSA-N 0 175.147 AD 1.538 0 Bother ref ADBARN O=[N+]([O-])c1ccc2nccnc2c1 O=C(O)c1cn2cc(Cl)ccc2n1 ZINC000000169234 35/91/37/169359137 YZBKAIKDSQEETA-UHFFFAOYSA-N 0 196.593 AD 1.686 2 Anodyne low ADAALN O=C([O-])c1cn2cc(Cl)ccc2[nH+]1 O=C(O)c1cn2cc(Cl)ccc2n1 ZINC000000169234 35/91/34/169359134 YZBKAIKDSQEETA-UHFFFAOYSA-N 0 196.593 AD 1.686 0 Anodyne ref ADAARN O=C([O-])c1cn2cc(Cl)ccc2n1 Nc1nccc(-c2cccs2)n1 ZINC000000170329 30/93/53/169309353 IXOUSLAWDHODKH-UHFFFAOYSA-N 0 177.232 AD 1.787 0 Anodyne ref ADAARN Nc1nccc(-c2cccs2)n1 CC(C)NC(=O)c1ccccc1N ZINC000000170974 93/12/48/342931248 FWQYJOPJMIEKHZ-UHFFFAOYSA-N 0 178.235 AD 1.407 0 Anodyne ref ADAARN CC(C)NC(=O)c1ccccc1N C=CCC(O)(CC=C)[C@@H](N)C(C)C ZINC000000173957 16/55/40/166165540 GFFSZZBAUXRZQZ-JTQLQIEISA-N 1 183.295 AD 1.853 0 Mild ref ADEARO C=CCC(O)(CC=C)[C@@H]([NH3+])C(C)C