Cc1ccc(O)c2ncccc12 ZINC000000002171 92/36/00/342923600 RPVGLMKJGQMQSN-UHFFFAOYSA-N 0 159.188 AE 2.249 0 Anodyne ref AEAARN Cc1ccc(O)c2ncccc12 in-man COC(=O)c1ccc2ccccc2n1 ZINC000000031320 13/24/25/168132425 CILJSZLWPHTUIP-UHFFFAOYSA-N 0 187.198 AE 2.021 0 Anodyne ref AEAARN COC(=O)c1ccc2ccccc2n1 Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000000033985 92/44/75/342924475 MVMMGVPSTRNMSV-UHFFFAOYSA-N -1 190.198 AE 2.115 3 Anodyne high AEAAHM Cc1cc(=O)oc2c(C)c([O-])ccc12 in-vitro biogenic Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000000033985 92/44/71/342924471 MVMMGVPSTRNMSV-UHFFFAOYSA-N 0 190.198 AE 2.115 0 Anodyne ref AEAARN Cc1cc(=O)oc2c(C)c(O)ccc12 in-vitro biogenic O=[N+]([O-])c1cccc(-n2cccc2)c1 ZINC000000037525 26/86/42/351268642 GTWSUEQDVMZTRP-UHFFFAOYSA-N 0 188.186 AE 2.386 0 Bother ref AEBARN O=[N+]([O-])c1cccc(-n2cccc2)c1 NCc1cnc(-c2ccccc2)s1 ZINC000000038493 22/63/34/169226334 PKLIUDDDCZOCFU-UHFFFAOYSA-N 0 190.271 AE 2.269 3 Anodyne high AEAAHN NCc1cnc(-c2ccccc2)s1 NCc1cnc(-c2ccccc2)s1 ZINC000000038493 22/63/32/169226332 PKLIUDDDCZOCFU-UHFFFAOYSA-N 1 190.271 AE 2.269 0 Anodyne ref AEAARO [NH3+]Cc1cnc(-c2ccccc2)s1 CC(C)(C)c1cnc(N)s1 ZINC000000039631 38/54/49/166385449 YPVUVTIITAMAPQ-UHFFFAOYSA-N 0 156.254 AE 2.023 0 Anodyne ref AEAARN CC(C)(C)c1cnc(N)s1 Cc1cc(C)c(C#N)c(=S)[nH]1 ZINC000000039678 92/44/66/342924466 CZRHEROEPICLRO-UHFFFAOYSA-N 0 164.233 AE 2.233 0 Mild ref AEEARN Cc1cc(C)c(C#N)c(=S)[nH]1 CC(=O)Nc1sc(C)c(C)c1C#N ZINC000000039845 28/60/31/166286031 KQGQIJBFNSFSGQ-UHFFFAOYSA-N 0 194.259 AE 2.195 0 Mild ref AEEARN CC(=O)Nc1sc(C)c(C)c1C#N N#CCC(=O)Nc1cccc(Cl)c1 ZINC000000043859 92/49/04/342924904 JHGKLDZJAHYJIP-UHFFFAOYSA-N 0 194.621 AE 2.192 0 Mild ref AEEARN N#CCC(=O)Nc1cccc(Cl)c1 Cc1c(C#N)c2ccccc2n1C ZINC000000049936 70/59/81/168705981 QWHVKHABWPGMGT-UHFFFAOYSA-N 0 170.215 AE 2.358 0 Mild ref AEEARN Cc1c(C#N)c2ccccc2n1C Cc1ccc(N2CCCC2=O)cc1 ZINC000000050509 92/50/41/342925041 ORPHOKOVVUFNKE-UHFFFAOYSA-N 0 175.231 AE 2.122 0 Anodyne ref AEAARN Cc1ccc(N2CCCC2=O)cc1 Cc1cc(O)c(C(C)C)cc1N ZINC000000052617 77/34/44/168773444 RGRUKJFIPJHWNL-UHFFFAOYSA-N 0 165.236 AE 2.406 0 Anodyne ref AEAARN Cc1cc(O)c(C(C)C)cc1N COc1ccc(N)cc1C(F)(F)F ZINC000000056366 25/45/44/168254544 CQJCPOVTPNWVBW-UHFFFAOYSA-N 0 191.152 AE 2.296 0 Anodyne ref AEAARN COc1ccc(N)cc1C(F)(F)F COc1ccc2c(C)cc(=O)oc2c1 ZINC000000058049 21/53/65/171215365 UDFPKNSWSYBIHO-UHFFFAOYSA-N 0 190.198 AE 2.11 0 Anodyne ref AEAARN COc1ccc2c(C)cc(=O)oc2c1 in-vitro Cc1c(C=O)c2ccccc2n1C ZINC000000059844 92/54/23/342925423 HYGUWHAXRMPCCP-UHFFFAOYSA-N 0 173.215 AE 2.299 0 Anodyne ref AEAARN Cc1c(C=O)c2ccccc2n1C COCc1ccc(O)c2ncccc12 ZINC000000060166 19/42/71/168194271 YNADRYIGLPRUCC-UHFFFAOYSA-N -1 189.214 AE 2.087 3 Anodyne high AEAAHM COCc1ccc([O-])c2ncccc12 COCc1ccc(O)c2ncccc12 ZINC000000060166 19/42/69/168194269 YNADRYIGLPRUCC-UHFFFAOYSA-N 0 189.214 AE 2.087 0 Anodyne ref AEAARN COCc1ccc(O)c2ncccc12 Cc1cc(C(=O)O)c2ccccc2n1 ZINC000000062063 92/55/94/342925594 UIDHNPTVQFNWOJ-UHFFFAOYSA-N -1 187.198 AE 2.241 0 Anodyne ref AEAARM Cc1cc(C(=O)[O-])c2ccccc2n1 N#CCC(=O)Nc1ccccc1Cl ZINC000000064802 92/53/87/342925387 QNLTWNKEBOCLPE-UHFFFAOYSA-N 0 194.621 AE 2.192 0 Mild ref AEEARN N#CCC(=O)Nc1ccccc1Cl NCc1cc2ccccc2s1 ZINC000000064943 22/19/20/169221920 WKYFWFHTABURGB-UHFFFAOYSA-N 0 163.245 AE 2.36 3 Anodyne high AEAAHN NCc1cc2ccccc2s1 NCc1cc2ccccc2s1 ZINC000000064943 22/19/18/169221918 WKYFWFHTABURGB-UHFFFAOYSA-N 1 163.245 AE 2.36 0 Anodyne ref AEAARO [NH3+]Cc1cc2ccccc2s1 O=C(O)Cc1ccc2ccccc2c1 ZINC000000065317 34/37/63/169343763 VIBOGIYPPWLDTI-UHFFFAOYSA-N -1 186.21 AE 2.467 0 Anodyne ref AEAARM O=C([O-])Cc1ccc2ccccc2c1 in-vitro N#Cc1cc(-c2ccccc2)oc1N ZINC000000066647 11/58/43/169115843 UWTDTJWGYWUILP-UHFFFAOYSA-N 0 184.198 AE 2.4 0 Mild ref AEEARN N#Cc1cc(-c2ccccc2)oc1N Nc1ccc(Cc2ccncc2)cc1 ZINC000000067652 99/09/09/170990909 WZXYYQHVDJMIFF-UHFFFAOYSA-N 0 184.242 AE 2.255 0 Clean ref AECARN Nc1ccc(Cc2ccncc2)cc1 C1CCN(CC[C@H]2CCCCN2)CC1 ZINC000000068058 09/17/73/166091773 SKMHPZXWMNAWGC-GFCCVEGCSA-N 1 196.338 AE 2.005 3 Anodyne high AEAAHO C1CCN(CC[C@H]2CCCC[NH2+]2)CC1 in-vitro C1CCN(CC[C@H]2CCCCN2)CC1 ZINC000000068058 09/17/71/166091771 SKMHPZXWMNAWGC-GFCCVEGCSA-N 2 196.338 AE 2.005 0 Anodyne ref AEAARP C1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 in-vitro C1CCN(CC[C@@H]2CCCCN2)CC1 ZINC000000068060 09/11/26/166091126 SKMHPZXWMNAWGC-LBPRGKRZSA-N 1 196.338 AE 2.005 3 Anodyne high AEAAHO C1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 in-vitro C1CCN(CC[C@@H]2CCCCN2)CC1 ZINC000000068060 09/11/25/166091125 SKMHPZXWMNAWGC-LBPRGKRZSA-N 2 196.338 AE 2.005 0 Anodyne ref AEAARP C1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 in-vitro Oc1ccc2cc(O)ccc2c1 ZINC000000074155 26/95/81/351269581 MNZMMCVIXORAQL-UHFFFAOYSA-N 0 160.172 AE 2.251 0 Anodyne ref AEAARN Oc1ccc2cc(O)ccc2c1 in-vitro biogenic O=[N+]([O-])c1cccc(N2CCCC2)c1 ZINC000000075326 41/39/43/169413943 GRNJGZQBTNJPIL-UHFFFAOYSA-N 0 192.218 AE 2.195 0 Bother ref AEBARN O=[N+]([O-])c1cccc(N2CCCC2)c1 OCc1nc(-c2ccccc2)cs1 ZINC000000076760 26/96/74/351269674 TYUWZKSJURGPRJ-UHFFFAOYSA-N 0 191.255 AE 2.302 0 Anodyne ref AEAARN OCc1nc(-c2ccccc2)cs1 NCCc1c[nH]c2ccc(Cl)cc12 ZINC000000077277 19/62/08/169196208 FVQKQPVVCKOWLM-UHFFFAOYSA-N 1 194.665 AE 2.323 0 Anodyne ref AEAARO [NH3+]CCc1c[nH]c2ccc(Cl)cc12 in-vitro Cc1nc2cc(O)ccc2s1 ZINC000000078988 95/72/13/168957213 LAKVUPMDDFICNR-UHFFFAOYSA-N 0 165.217 AE 2.31 0 Anodyne ref AEAARN Cc1nc2cc(O)ccc2s1 O=C(O)/C=C/c1ccccc1Cl ZINC000000080793 33/42/87/169334287 KJRRTHHNKJBVBO-AATRIKPKSA-N -1 182.606 AE 2.438 0 Anodyne ref AEAARM O=C([O-])/C=C/c1ccccc1Cl O=C(O)/C=C/c1ccc(Cl)cc1 ZINC000000080865 33/43/37/169334337 GXLIFJYFGMHYDY-ZZXKWVIFSA-N -1 182.606 AE 2.438 0 Anodyne ref AEAARM O=C([O-])/C=C/c1ccc(Cl)cc1 in-vitro biogenic O=C(O)CCSc1ccccc1 ZINC000000082300 33/80/07/169338007 IGPROYLOGZTOAM-UHFFFAOYSA-N -1 182.244 AE 2.253 0 Anodyne ref AEAARM O=C([O-])CCSc1ccccc1 CCOc1ccc(/C=C/C(=O)O)cc1 ZINC000000087946 26/92/31/351269231 DZLOUWYGNATKKZ-VMPITWQZSA-N -1 192.214 AE 2.183 0 Anodyne ref AEAARM CCOc1ccc(/C=C/C(=O)[O-])cc1 CCc1cc(=O)oc2cc(O)ccc12 ZINC000000090067 92/62/62/342926262 UNRDBISCGQHNDA-UHFFFAOYSA-N -1 190.198 AE 2.061 1 Anodyne mid AEAAMM CCc1cc(=O)oc2cc([O-])ccc12 CCc1cc(=O)oc2cc(O)ccc12 ZINC000000090067 92/62/59/342926259 UNRDBISCGQHNDA-UHFFFAOYSA-N 0 190.198 AE 2.061 0 Anodyne ref AEAARN CCc1cc(=O)oc2cc(O)ccc12 N#CCC(=O)Nc1ccc(Cl)cc1 ZINC000000091625 92/62/96/342926296 FLLVVAHFEBGZKD-UHFFFAOYSA-N 0 194.621 AE 2.192 0 Mild ref AEEARN N#CCC(=O)Nc1ccc(Cl)cc1 O=[N+]([O-])c1cccc2cnccc12 ZINC000000093213 26/95/69/351269569 PYGMPFQCCWBTJQ-UHFFFAOYSA-N 0 174.159 AE 2.143 0 Bother ref AEBARN O=[N+]([O-])c1cccc2cnccc12 in-vitro N#CCC(=O)c1ccc(Cl)cc1 ZINC000000095250 92/65/52/342926552 JYOUFPNYTOFCSJ-UHFFFAOYSA-N -1 179.606 AE 2.436 3 Mild high AEEAHM N#CC=C([O-])c1ccc(Cl)cc1 in-vitro N#CCC(=O)c1ccc(Cl)cc1 ZINC000000095250 92/65/48/342926548 JYOUFPNYTOFCSJ-UHFFFAOYSA-N 0 179.606 AE 2.436 0 Mild ref AEEARN N#CCC(=O)c1ccc(Cl)cc1 in-vitro Cc1ccc(C(=O)CCC(=O)O)cc1 ZINC000000098250 79/96/29/168799629 OEEUWZITKKSXAZ-UHFFFAOYSA-N -1 192.214 AE 2.043 0 Anodyne ref AEAARM Cc1ccc(C(=O)CCC(=O)[O-])cc1 C[C@H](O)c1nc2cc(Cl)ccc2[nH]1 ZINC000000104388 92/67/08/342926708 VFJYRNNAJWCSRK-YFKPBYRVSA-N 0 196.637 AE 2.27 1 Anodyne mid AEAAMN C[C@H](O)c1nc2ccc(Cl)cc2[nH]1 C[C@H](O)c1nc2cc(Cl)ccc2[nH]1 ZINC000000104388 92/67/06/342926706 VFJYRNNAJWCSRK-YFKPBYRVSA-N 0 196.637 AE 2.27 0 Anodyne ref AEAARN C[C@H](O)c1nc2cc(Cl)ccc2[nH]1 C[C@@H](O)c1nc2cc(Cl)ccc2[nH]1 ZINC000000104392 27/06/50/351270650 VFJYRNNAJWCSRK-RXMQYKEDSA-N 0 196.637 AE 2.27 1 Anodyne mid AEAAMN C[C@@H](O)c1nc2ccc(Cl)cc2[nH]1 C[C@@H](O)c1nc2cc(Cl)ccc2[nH]1 ZINC000000104392 27/06/45/351270645 VFJYRNNAJWCSRK-RXMQYKEDSA-N 0 196.637 AE 2.27 0 Anodyne ref AEAARN C[C@@H](O)c1nc2cc(Cl)ccc2[nH]1 CN(C)/C=C/C(=O)c1ccc(F)cc1 ZINC000000104541 92/69/90/342926990 GTJNUCRUOWBWEW-BQYQJAHWSA-N 0 193.221 AE 2.084 0 Mild ref AEEARN CN(C)/C=C/C(=O)c1ccc(F)cc1 CN(C)/C=C/C(=O)c1cccs1 ZINC000000104546 82/01/36/167820136 NXYSVZGMDFMOJJ-AATRIKPKSA-N 0 181.26 AE 2.006 0 Mild ref AEEARN CN(C)/C=C/C(=O)c1cccs1 Oc1ccccc1-n1cccc1 ZINC000000105122 45/91/49/169459149 NZABOAAWARHJSH-UHFFFAOYSA-N 0 159.188 AE 2.183 0 Anodyne ref AEAARN Oc1ccccc1-n1cccc1 O=C(O)/C=C/c1ccc2ccccc2n1 ZINC000000106339 33/40/47/169334047 QHJIDQGIAPCVMU-BQYQJAHWSA-N -1 199.209 AE 2.333 0 Anodyne ref AEAARM O=C([O-])/C=C/c1ccc2ccccc2n1 CC(=O)c1nc2ccccc2s1 ZINC000000108679 33/63/89/166336389 GSTOPVGJHLPSBJ-UHFFFAOYSA-N 0 177.228 AE 2.499 0 Anodyne ref AEAARN CC(=O)c1nc2ccccc2s1 CNc1ccc(C(F)(F)F)cc1N ZINC000000112270 99/16/35/170991635 KWYSQBACVABOFL-UHFFFAOYSA-N 0 190.168 AE 2.329 0 Anodyne ref AEAARN CNc1ccc(C(F)(F)F)cc1N N#Cc1ccc2ccccc2n1 ZINC000000112436 99/16/63/170991663 WDXARTMCIRVMAE-UHFFFAOYSA-N 0 154.172 AE 2.106 0 Mild ref AEEARN N#Cc1ccc2ccccc2n1 Nc1c(O)ccc2ccccc12 ZINC000000119429 28/23/56/169282356 FHMMQQXRSYSWCM-UHFFFAOYSA-N 0 159.188 AE 2.128 0 Anodyne ref AEAARN Nc1c(O)ccc2ccccc12 CCCC(=O)Nc1ccc(N)cc1 ZINC000000123129 92/71/63/342927163 LFXCELCZRVHGIJ-UHFFFAOYSA-N 0 178.235 AE 2.007 0 Clean ref AECARN CCCC(=O)Nc1ccc(N)cc1 CCCC(=O)Nc1cccc(N)c1 ZINC000000123132 83/23/31/166832331 DRXFARCOYOPZDW-UHFFFAOYSA-N 0 178.235 AE 2.007 0 Anodyne ref AEAARN CCCC(=O)Nc1cccc(N)c1 O=[N+]([O-])C12CC3CC(CC(C3)C1)C2 ZINC000000124723 92/71/68/342927168 HONLSNLUVRQMEK-UHFFFAOYSA-N 0 181.235 AE 2.232 0 Bother ref AEBARN O=[N+]([O-])C12CC3CC(CC(C3)C1)C2 CN(C)/C=C/C(=O)c1ccsc1 ZINC000000126607 81/97/80/167819780 CDOOQLDZGMQWQC-HWKANZROSA-N 0 181.26 AE 2.006 0 Mild ref AEEARN CN(C)/C=C/C(=O)c1ccsc1 O=C(O)CCc1ccc(Cl)cc1 ZINC000000129056 33/90/34/169339034 BBSLOKZINKEUCR-UHFFFAOYSA-N -1 184.622 AE 2.357 0 Anodyne ref AEAARM O=C([O-])CCc1ccc(Cl)cc1 in-vitro CCOc1ccc(CCC(=O)O)cc1 ZINC000000129386 27/08/86/351270886 ZDSHOEQSCJOGCK-UHFFFAOYSA-N -1 194.23 AE 2.103 0 Anodyne ref AEAARM CCOc1ccc(CCC(=O)[O-])cc1 COc1ccc2[nH]c(C)cc2c1 ZINC000000135257 99/16/69/170991669 VSWGLJOQFUMFOQ-UHFFFAOYSA-N 0 161.204 AE 2.485 0 Anodyne ref AEAARN COc1ccc2[nH]c(C)cc2c1 in-vitro Nc1ccccc1-n1cccc1 ZINC000000137173 29/83/38/169298338 GDMZHPUPLWQIBD-UHFFFAOYSA-N 0 158.204 AE 2.059 0 Anodyne ref AEAARN Nc1ccccc1-n1cccc1 O=[N+]([O-])c1ccc(-n2cccc2)cc1 ZINC000000138289 27/09/45/351270945 PWCFKNYSCGRNRW-UHFFFAOYSA-N 0 188.186 AE 2.386 0 Bother ref AEBARN O=[N+]([O-])c1ccc(-n2cccc2)cc1 O=C(O)CSCc1ccccc1 ZINC000000138404 34/22/50/169342250 AWLVTQRRKPBQEQ-UHFFFAOYSA-N -1 182.244 AE 2.004 0 Anodyne ref AEAARM O=C([O-])CSCc1ccccc1 Cc1ccc2[nH]c(C)c(CCN)c2c1 ZINC000000141643 99/17/31/170991731 CMDMWYFWSISWBT-UHFFFAOYSA-N 1 188.274 AE 2.286 0 Anodyne ref AEAARO Cc1ccc2[nH]c(C)c(CC[NH3+])c2c1 Cc1ccc(C(=O)/C=C/N(C)C)cc1 ZINC000000142370 79/91/48/168799148 RRVBRKWQJVEFJN-CMDGGOBGSA-N 0 189.258 AE 2.253 0 Mild ref AEEARN Cc1ccc(C(=O)/C=C/N(C)C)cc1 N#Cc1c[nH]c2ccccc12 ZINC000000142407 11/52/74/169115274 CHIFTAQVXHNVRW-UHFFFAOYSA-N 0 142.161 AE 2.04 0 Mild ref AEEARN N#Cc1c[nH]c2ccccc12 Cc1ccc(/C=C/C(=O)O)cc1 ZINC000000145556 92/81/53/342928153 RURHILYUWQEGOS-VOTSOKGWSA-N -1 162.188 AE 2.093 0 Anodyne ref AEAARM Cc1ccc(/C=C/C(=O)[O-])cc1 CCc1ccccc1NC(=O)CC#N ZINC000000145739 92/81/77/342928177 PSOHSBHEQKJRIQ-UHFFFAOYSA-N 0 188.23 AE 2.101 0 Mild ref AEEARN CCc1ccccc1NC(=O)CC#N CCC(CC)c1nnc(N)s1 ZINC000000151050 92/81/05/342928105 UYCCDPREZYWEDA-UHFFFAOYSA-N 0 171.269 AE 2.024 0 Anodyne ref AEAARN CCC(CC)c1nnc(N)s1 Cc1ccc(-n2nc(C)cc2N)cc1 ZINC000000151225 92/80/85/342928085 WQUNBEPKWJLYJD-UHFFFAOYSA-N 0 187.246 AE 2.071 0 Anodyne ref AEAARN Cc1ccc(-n2nc(C)cc2N)cc1 CC(=O)c1ccc(F)c(F)c1 ZINC000000152902 32/51/48/166325148 VWJSSJFLXRMYNV-UHFFFAOYSA-N 0 156.131 AE 2.167 0 Anodyne ref AEAARN CC(=O)c1ccc(F)c(F)c1 CC(C)c1ccc(NN)cc1 ZINC000000153134 92/85/89/342928589 ZYATZFJUOXJFPY-UHFFFAOYSA-N 0 150.225 AE 2.096 0 Anodyne ref AEAARN CC(C)c1ccc(NN)cc1 in-vitro Nc1cccc(C(=O)c2ccccc2)c1 ZINC000000153255 29/69/60/169296960 FUADXEJBHCKVBN-UHFFFAOYSA-N 0 197.237 AE 2.5 0 Anodyne ref AEAARN Nc1cccc(C(=O)c2ccccc2)c1 Nc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000154807 29/45/09/169294509 SJODITPGMMSNRF-UHFFFAOYSA-N 0 195.221 AE 2.48 0 Anodyne ref AEAARN Nc1ccc2c(c1)C(=O)c1ccccc1-2 O=C(O)/C=C/c1c[nH]c2ccccc12 ZINC000000155654 33/45/33/169334533 PLVPPLCLBIEYEA-AATRIKPKSA-N -1 187.198 AE 2.266 0 Anodyne ref AEAARM O=C([O-])/C=C/c1c[nH]c2ccccc12 in-vitro O=C1CCCN1c1ccc(Cl)cc1 ZINC000000155730 37/18/25/169371825 NAIVIVMHCDWBEF-UHFFFAOYSA-N 0 195.649 AE 2.467 0 Anodyne ref AEAARN O=C1CCCN1c1ccc(Cl)cc1 O=C(O)c1ccc2cc(O)ccc2c1 ZINC000000156275 92/89/16/342928916 KAUQJMHLAFIZDU-UHFFFAOYSA-N -1 188.182 AE 2.244 0 Anodyne ref AEAARM O=C([O-])c1ccc2cc(O)ccc2c1 in-vitro biogenic Brc1ccc2c(c1)CCN2 ZINC000000156461 92/89/07/342928907 QEDCHCLHHGGYBT-UHFFFAOYSA-N 0 198.063 AE 2.417 0 Anodyne ref AEAARN Brc1ccc2c(c1)CCN2 in-vitro ON=C1C2CC3CC(C2)CC1C3 ZINC000000156568 27/17/44/351271744 RABVIFXMFZFITE-UHFFFAOYSA-N 0 165.236 AE 2.273 0 Mild ref AEEARN ON=C1C2CC3CC(C2)CC1C3 CCOc1ccccc1/C=C/C(=O)O ZINC000000156584 27/15/64/351271564 UXTDCJJEJZCEBF-BQYQJAHWSA-N -1 192.214 AE 2.183 0 Anodyne ref AEAARM CCOc1ccccc1/C=C/C(=O)[O-] CCOc1cccc(/C=C/C(=O)O)c1 ZINC000000156658 42/33/55/167423355 DOEYODSOYOGJQH-VOTSOKGWSA-N -1 192.214 AE 2.183 0 Anodyne ref AEAARM CCOc1cccc(/C=C/C(=O)[O-])c1 N#Cc1ccc2[nH]ccc2c1 ZINC000000157017 99/21/06/170992106 YHYLDEVWYOFIJK-UHFFFAOYSA-N 0 142.161 AE 2.04 0 Mild ref AEEARN N#Cc1ccc2[nH]ccc2c1 in-vitro O=Cc1c[nH]c2ccc(F)cc12 ZINC000000157226 27/15/41/351271541 YUAJKGBLPVLADK-UHFFFAOYSA-N 0 163.151 AE 2.119 0 Anodyne ref AEAARN O=Cc1c[nH]c2ccc(F)cc12 Cc1nc(CCl)cs1 ZINC000000157256 17/75/16/560177516 AQBBZYVPKBIILN-UHFFFAOYSA-N 0 147.63 AE 2.19 0 Reactive ref AEGARN Cc1nc(CCl)cs1 in-vitro CCOc1ccc(OCC)c(N)c1 ZINC000000157614 27/16/72/351271672 XPKFTIYOZUJAGA-UHFFFAOYSA-N 0 181.235 AE 2.066 0 Anodyne ref AEAARN CCOc1ccc(OCC)c(N)c1 Cc1ccc(C)n1CC1CCNCC1 ZINC000000157735 80/82/41/168808241 RMANVGUXWRCNTE-UHFFFAOYSA-N 1 192.306 AE 2.105 0 Anodyne ref AEAARO Cc1ccc(C)n1CC1CC[NH2+]CC1 CCCc1ccc(NC(C)=O)cc1O ZINC000000157766 10/30/87/167103087 WEIMMECSAQVSGO-UHFFFAOYSA-N 0 193.246 AE 2.303 0 Anodyne ref AEAARN CCCc1ccc(NC(C)=O)cc1O O=Cc1ccc2ccccc2n1 ZINC000000158602 27/17/17/351271717 WPYJKGWLDJECQD-UHFFFAOYSA-N 0 157.172 AE 2.047 0 Anodyne ref AEAARN O=Cc1ccc2ccccc2n1 O=Cc1nc2ccccc2s1 ZINC000000158622 27/15/62/351271562 RHKPJTFLRQNNGJ-UHFFFAOYSA-N 0 163.201 AE 2.109 0 Anodyne ref AEAARN O=Cc1nc2ccccc2s1 Sc1nnc(-c2cccs2)o1 ZINC000000158901 92/97/24/342929724 BRVMOBLCZJOKJV-UHFFFAOYSA-N 0 184.245 AE 2.087 0 Anodyne ref AEAARN S=C1N=NC(c2cccs2)O1 NCc1ccc2sccc2c1 ZINC000000159027 22/42/59/169224259 QUXRGPGYJFNJAG-UHFFFAOYSA-N 1 163.245 AE 2.36 0 Anodyne ref AEAARO [NH3+]Cc1ccc2sccc2c1 O=C(O)c1ccc(-n2cccc2)cc1 ZINC000000159033 35/79/63/169357963 NLSIIPKSANRIGS-UHFFFAOYSA-N -1 187.198 AE 2.176 0 Anodyne ref AEAARM O=C([O-])c1ccc(-n2cccc2)cc1 CSc1ccccc1C(=O)O ZINC000000161220 31/24/89/168312489 LWJQGKJCZOGGPJ-UHFFFAOYSA-N -1 168.217 AE 2.107 0 Anodyne ref AEAARM CSc1ccccc1C(=O)[O-] COC(=O)c1ccc2ncccc2c1 ZINC000000161652 13/24/20/168132420 XSRWQTDEIOHXSL-UHFFFAOYSA-N 0 187.198 AE 2.021 0 Anodyne ref AEAARN COC(=O)c1ccc2ncccc2c1 CNCc1cccc(C(F)(F)F)c1 ZINC000000161982 01/85/41/168018541 JFLPPELZYKHKQZ-UHFFFAOYSA-N 1 189.18 AE 2.425 0 Anodyne ref AEAARO C[NH2+]Cc1cccc(C(F)(F)F)c1