Cc1ccc(-c2csc(N)n2)cc1 ZINC000000038083 92/44/29/342924429 ARLHWYFAPHJCJT-UHFFFAOYSA-N 0 190.271 AF 2.701 0 Anodyne ref AFAARN Cc1ccc(-c2csc(N)n2)cc1 Cc1cc2occc(=O)c2cc1Cl ZINC000000057735 92/56/07/342925607 UQXYHMICNLSDMN-UHFFFAOYSA-N 0 194.617 AF 2.755 0 Anodyne ref AFAARN Cc1cc2occc(=O)c2cc1Cl OC1c2ccccc2Oc2ccccc21 ZINC000000058266 26/96/64/351269664 JFRMYMMIJXLMBB-UHFFFAOYSA-N 0 198.221 AF 2.874 0 Anodyne ref AFAARN OC1c2ccccc2Oc2ccccc21 in-vitro O=C(O)c1ccc(F)c2ccccc12 ZINC000000062673 35/73/94/169357394 DEWIOKQDRWFLFW-UHFFFAOYSA-N -1 190.173 AF 2.677 0 Anodyne ref AFAARM O=C([O-])c1ccc(F)c2ccccc12 c1ccc2c(c1)[nH]c1cnccc12 ZINC000000066039 47/97/25/169479725 AIFRHYZBTHREPW-UHFFFAOYSA-N 0 168.199 AF 2.716 0 Anodyne ref AFAARN c1ccc2c(c1)[nH]c1cnccc12 in-man endogenous O=C(O)CC12CC3CC(CC(C3)C1)C2 ZINC000000107420 99/16/09/170991609 AOTQGWFNFTVXNQ-UHFFFAOYSA-N -1 194.274 AF 2.678 0 Anodyne ref AFAARM O=C([O-])CC12CC3CC(CC(C3)C1)C2 Fc1cc(F)c(F)c(S)c1F ZINC000000119234 99/14/47/170991447 IGOGJHYWSOZGAE-UHFFFAOYSA-N -1 182.141 AF 2.532 0 Anodyne ref AFAARM Fc1cc(F)c(F)c([S-])c1F O=c1ccc2cc3ccoc3cc2o1 ZINC000000120283 27/10/02/351271002 ZCCUUQDIBDJBTK-UHFFFAOYSA-N 0 186.166 AF 2.539 0 Anodyne ref AFAARN O=c1ccc2cc3ccoc3cc2o1 in-man endogenous Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000126157 30/42/57/169304257 WSOKJBHBMAGBIP-UHFFFAOYSA-N 0 194.234 AF 2.531 0 Anodyne ref AFAARN Nc1nc(-c2ccc(F)cc2)cs1 Fc1ccc(-n2cccc2)cc1 ZINC000000137635 08/21/75/169082175 YMAPGGZDHAHLGN-UHFFFAOYSA-N 0 161.179 AF 2.616 0 Anodyne ref AFAARN Fc1ccc(-n2cccc2)cc1 COc1ccc(OC)c2ccccc12 ZINC000000141876 25/69/22/168256922 FWWRTYBQQDXLDD-UHFFFAOYSA-N 0 188.226 AF 2.857 0 Anodyne ref AFAARN COc1ccc(OC)c2ccccc12 O=Cc1c(Cl)cccc1Cl ZINC000000148002 27/09/68/351270968 DMIYKWPEFRFTPY-UHFFFAOYSA-N 0 175.014 AF 2.806 0 Anodyne ref AFAARN O=Cc1c(Cl)cccc1Cl in-vitro Cc1ccc2cc(F)ccc2n1 ZINC000000150342 85/41/16/168854116 GPIARMSVZOEZCV-UHFFFAOYSA-N 0 161.179 AF 2.682 0 Anodyne ref AFAARN Cc1ccc2cc(F)ccc2n1 in-vitro O=C(O)c1cc(Cl)cc(Cl)c1 ZINC000000152667 35/63/37/169356337 CXKCZFDUOYMOOP-UHFFFAOYSA-N -1 191.013 AF 2.692 0 Anodyne ref AFAARM O=C([O-])c1cc(Cl)cc(Cl)c1 FC(F)(F)c1cccc(Cl)n1 ZINC000000153257 07/23/70/169072370 ADVQMCQMDHBTHJ-UHFFFAOYSA-N 0 181.544 AF 2.754 0 Anodyne ref AFAARN FC(F)(F)c1cccc(Cl)n1 Fc1c(F)c(F)c2[nH]ccc2c1F ZINC000000153876 92/86/83/342928683 DTNBMVQXEVNTLO-UHFFFAOYSA-N 0 189.111 AF 2.724 0 Anodyne ref AFAARN Fc1c(F)c(F)c2[nH]ccc2c1F CC(=O)c1ccc2ccccc2c1O ZINC000000154709 32/72/09/166327209 JBGJVMVWYWUVOW-UHFFFAOYSA-N -1 186.21 AF 2.748 3 Anodyne high AFAAHM CC(=O)c1ccc2ccccc2c1[O-] CC(=O)c1ccc2ccccc2c1O ZINC000000154709 32/72/05/166327205 JBGJVMVWYWUVOW-UHFFFAOYSA-N 0 186.21 AF 2.748 0 Anodyne ref AFAARN CC(=O)c1ccc2ccccc2c1O O=C(c1ccccc1)c1cccc(O)c1 ZINC000000155218 36/42/11/169364211 SHULEACXTONYPS-UHFFFAOYSA-N -1 198.221 AF 2.623 3 Anodyne high AFAAHM O=C(c1ccccc1)c1cccc([O-])c1 O=C(c1ccccc1)c1cccc(O)c1 ZINC000000155218 36/42/10/169364210 SHULEACXTONYPS-UHFFFAOYSA-N 0 198.221 AF 2.623 0 Anodyne ref AFAARN O=C(c1ccccc1)c1cccc(O)c1 CC(=O)c1ccc(F)c(Cl)c1 ZINC000000157129 32/37/07/166323707 PCJPESKRPOTNGU-UHFFFAOYSA-N 0 172.586 AF 2.682 0 Anodyne ref AFAARN CC(=O)c1ccc(F)c(Cl)c1 N#Cc1c(Cl)cccc1Cl ZINC000000157318 11/46/23/169114623 YOYAIZYFCNQIRF-UHFFFAOYSA-N 0 172.014 AF 2.865 0 Mild ref AFEARN N#Cc1c(Cl)cccc1Cl in-vitro CC(=O)CSc1ccc(F)cc1 ZINC000000157348 92/93/11/342929311 MKJQBSVPZYELIJ-UHFFFAOYSA-N 0 184.235 AF 2.507 0 Anodyne ref AFAARN CC(=O)CSc1ccc(F)cc1 O=C(O)c1cccc(Cl)c1Cl ZINC000000157872 35/87/72/169358772 QAOJBHRZQQDFHA-UHFFFAOYSA-N -1 191.013 AF 2.692 0 Anodyne ref AFAARM O=C([O-])c1cccc(Cl)c1Cl Cc1ccc(-c2ccno2)cc1 ZINC000000158750 92/97/75/342929775 BJVLLTZZYAWHGW-UHFFFAOYSA-N 0 159.188 AF 2.65 0 Anodyne ref AFAARN Cc1ccc(-c2ccno2)cc1 N#Cc1cccc(Cl)c1Cl ZINC000000159430 12/48/06/169124806 OHDYZVVLNPXKDX-UHFFFAOYSA-N 0 172.014 AF 2.865 0 Mild ref AFEARN N#Cc1cccc(Cl)c1Cl O=C(O)c1cc(Cl)ccc1Cl ZINC000000159786 35/63/69/169356369 QVTQYSFCFOGITD-UHFFFAOYSA-N -1 191.013 AF 2.692 0 Anodyne ref AFAARM O=C([O-])c1cc(Cl)ccc1Cl in-vitro Fc1ccc(F)c(Br)c1 ZINC000000160131 08/35/25/169083525 XCRCSPKQEDMVBO-UHFFFAOYSA-N 0 192.99 AF 2.727 0 Anodyne ref AFAARN Fc1ccc(F)c(Br)c1 Cc1cc(F)ccc1Br ZINC000000160133 92/97/05/342929705 RJPNVPITBYXBNB-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1cc(F)ccc1Br CCCC(=O)c1ccc(OC)cc1 ZINC000000163628 83/52/60/166835260 JLCDSZXBELPBRD-UHFFFAOYSA-N 0 178.231 AF 2.678 0 Anodyne ref AFAARN CCCC(=O)c1ccc(OC)cc1 Cc1c(F)cccc1Cl ZINC000000164391 93/04/63/342930463 FNPVYRJTBXHIPB-UHFFFAOYSA-N 0 144.576 AF 2.788 0 Anodyne ref AFAARN Cc1c(F)cccc1Cl Fc1cc(F)cc(Br)c1 ZINC000000164583 08/11/82/169081182 JHLKSIOJYMGSMB-UHFFFAOYSA-N 0 192.99 AF 2.727 0 Anodyne ref AFAARN Fc1cc(F)cc(Br)c1 Fc1ccc(F)c(Cl)c1 ZINC000000164628 08/30/57/169083057 XWCKSJOUZQHFKI-UHFFFAOYSA-N 0 148.539 AF 2.618 0 Anodyne ref AFAARN Fc1ccc(F)c(Cl)c1 Cc1cc(Br)ccc1F ZINC000000164691 93/03/49/342930349 VXKYOKPNAXNAFU-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1cc(Br)ccc1F Fc1ccc(N=C=S)c(F)c1 ZINC000000164717 17/75/45/560177545 ABGGPKIFVAIRGU-UHFFFAOYSA-N 0 171.171 AF 2.699 0 Reactive ref AFGARN Fc1ccc(N=C=S)c(F)c1 in-vitro Fc1ccc(Br)cc1F ZINC000000164754 93/03/52/342930352 YMQPKONILWWJQG-UHFFFAOYSA-N 0 192.99 AF 2.727 0 Anodyne ref AFAARN Fc1ccc(Br)cc1F Cc1ccc(F)cc1Br ZINC000000164813 82/06/12/168820612 SFGFOJPGCOYQJK-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1ccc(F)cc1Br Cc1ccc(F)cc1Cl ZINC000000164825 82/07/28/168820728 CSARJIQZOSVYHA-UHFFFAOYSA-N 0 144.576 AF 2.788 0 Anodyne ref AFAARN Cc1ccc(F)cc1Cl Fc1ccc(Cl)cc1F ZINC000000164831 08/31/68/169083168 OPQMRQYYRSTBME-UHFFFAOYSA-N 0 148.539 AF 2.618 0 Anodyne ref AFAARN Fc1ccc(Cl)cc1F N#CCc1ccc(Br)cc1 ZINC000000164864 10/29/75/169102975 MFHFWRBXPQDZSA-UHFFFAOYSA-N 0 196.047 AF 2.515 0 Mild ref AFEARN N#CCc1ccc(Br)cc1 in-vitro CC(=O)c1c(O)ccc2ccccc12 ZINC000000164887 31/67/44/166316744 VUIOUIWZVKVFCI-UHFFFAOYSA-N -1 186.21 AF 2.748 3 Anodyne high AFAAHM CC(=O)c1c([O-])ccc2ccccc12 CC(=O)c1c(O)ccc2ccccc12 ZINC000000164887 31/67/42/166316742 VUIOUIWZVKVFCI-UHFFFAOYSA-N 0 186.21 AF 2.748 0 Anodyne ref AFAARN CC(=O)c1c(O)ccc2ccccc12 O=Cc1cc(Cl)cc(Cl)c1 ZINC000000165019 27/36/87/351273687 CASRSOJWLARCRX-UHFFFAOYSA-N 0 175.014 AF 2.806 0 Anodyne ref AFAARN O=Cc1cc(Cl)cc(Cl)c1 CC(C)(C)C(=O)Nc1ccc(F)cc1 ZINC000000166790 34/65/46/166346546 DDRGTIBAQBROSP-UHFFFAOYSA-N 0 195.237 AF 2.81 0 Anodyne ref AFAARN CC(C)(C)C(=O)Nc1ccc(F)cc1 Fc1ccc(S)cc1Cl ZINC000000167089 08/52/21/169085221 SFSHSIFYTWIGSF-UHFFFAOYSA-N -1 162.616 AF 2.768 0 Anodyne ref AFAARM Fc1ccc([S-])cc1Cl Fc1ccc(S)c(Cl)c1 ZINC000000167095 08/41/04/169084104 KUAPPJSILOMQPC-UHFFFAOYSA-N -1 162.616 AF 2.768 0 Anodyne ref AFAARM Fc1ccc([S-])c(Cl)c1 FC(F)(F)Oc1ccccc1 ZINC000000167127 07/07/67/169070767 GQHWSLKNULCZGI-UHFFFAOYSA-N 0 162.11 AF 2.585 0 Anodyne ref AFAARN FC(F)(F)Oc1ccccc1 CC(=O)c1cccc(Br)c1 ZINC000000167233 32/84/52/166328452 JYAQYXOVOHJRCS-UHFFFAOYSA-N 0 199.047 AF 2.652 0 Anodyne ref AFAARN CC(=O)c1cccc(Br)c1 CC(=O)c1cc(C)c(Cl)cc1F ZINC000000167963 31/74/29/166317429 NOYPJFRXHUSDQL-UHFFFAOYSA-N 0 186.613 AF 2.99 0 Anodyne ref AFAARN CC(=O)c1cc(C)c(Cl)cc1F Nc1nc(-c2cccc(F)c2)cs1 ZINC000000269224 30/51/64/169305164 XBHHILITQUEDDC-UHFFFAOYSA-N 0 194.234 AF 2.531 0 Anodyne ref AFAARN Nc1nc(-c2cccc(F)c2)cs1 Cc1ccc([N+](=O)[O-])cc1Cl ZINC000000331675 84/50/55/168845055 LLYXJBROWQDVMI-UHFFFAOYSA-N 0 171.583 AF 2.557 0 Bother ref AFBARN Cc1ccc([N+](=O)[O-])cc1Cl in-vitro O=C(c1ccccc1)c1ccc(O)cc1 ZINC000000388760 36/36/83/169363683 NPFYZDNDJHZQKY-UHFFFAOYSA-N -1 198.221 AF 2.623 1 Anodyne mid AFAAMM O=C(c1ccccc1)c1ccc([O-])cc1 in-vitro O=C(c1ccccc1)c1ccc(O)cc1 ZINC000000388760 36/36/82/169363682 NPFYZDNDJHZQKY-UHFFFAOYSA-N 0 198.221 AF 2.623 0 Anodyne ref AFAARN O=C(c1ccccc1)c1ccc(O)cc1 in-vitro Fc1ccc(Cl)c(F)c1 ZINC000000389582 08/28/54/169082854 AJCSNHQKXUSMMY-UHFFFAOYSA-N 0 148.539 AF 2.618 0 Anodyne ref AFAARN Fc1ccc(Cl)c(F)c1 Cc1ccc(F)c(Br)c1 ZINC000000389590 81/87/68/168818768 QLRKALMVPCQTMU-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1ccc(F)c(Br)c1 Cc1ccc(Br)cc1F ZINC000000389649 93/60/66/342936066 YZFVUQSAJMLFOZ-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1ccc(Br)cc1F Fc1cccc(Br)c1F ZINC000000389656 08/56/06/169085606 RKWWASUTWAFKHA-UHFFFAOYSA-N 0 192.99 AF 2.727 0 Anodyne ref AFAARN Fc1cccc(Br)c1F C=Cc1c(F)cccc1F ZINC000000389819 99/48/56/170994856 SFHOANYKPCNYMB-UHFFFAOYSA-N 0 140.132 AF 2.608 0 Anodyne ref AFAARN C=Cc1c(F)cccc1F Cc1ccc(F)c(Cl)c1 ZINC000000389861 93/63/67/342936367 IKNQPNLSEBWZKX-UHFFFAOYSA-N 0 144.576 AF 2.788 0 Anodyne ref AFAARN Cc1ccc(F)c(Cl)c1 Cc1ccc(Br)c(F)c1 ZINC000000395575 93/74/62/342937462 SLFNGVGRINFJLK-UHFFFAOYSA-N 0 189.027 AF 2.897 0 Anodyne ref AFAARN Cc1ccc(Br)c(F)c1 Cc1cc(Cl)ccc1F ZINC000000396111 75/98/04/168759804 JOXXHDGUTVUBDL-UHFFFAOYSA-N 0 144.576 AF 2.788 0 Anodyne ref AFAARN Cc1cc(Cl)ccc1F Cc1ccc2c(c1)C(=O)CCS2 ZINC000000396788 93/77/47/342937747 BYWVVMGBFKFYMY-UHFFFAOYSA-N 0 178.256 AF 2.674 0 Anodyne ref AFAARN Cc1ccc2c(c1)C(=O)CCS2 Fc1ccc(Br)cc1 ZINC000000402617 46/20/34/534462034 AITNMTXHTIIIBB-UHFFFAOYSA-N 0 175.0 AF 2.588 0 Anodyne ref AFAARN Fc1ccc(Br)cc1 Fc1cc(F)cc(Cl)c1 ZINC000000403988 08/21/53/169082153 RFKBODCWHNDUTJ-UHFFFAOYSA-N 0 148.539 AF 2.618 0 Anodyne ref AFAARN Fc1cc(F)cc(Cl)c1 Fc1ccccc1Br ZINC000000404312 08/72/44/169087244 IPWBFGUBXWMIPR-UHFFFAOYSA-N 0 175.0 AF 2.588 0 Anodyne ref AFAARN Fc1ccccc1Br Fc1cccc(Br)c1 ZINC000000404313 08/57/32/169085732 QDFKKJYEIFBEFC-UHFFFAOYSA-N 0 175.0 AF 2.588 0 Anodyne ref AFAARN Fc1cccc(Br)c1 Cc1c(F)c(F)cc(F)c1F ZINC000000406985 93/88/42/342938842 POMGTQLCZJZYAM-UHFFFAOYSA-N 0 164.101 AF 2.551 0 Anodyne ref AFAARN Cc1c(F)c(F)cc(F)c1F Cc1cc(F)ccc1Cl ZINC000000407095 93/90/12/342939012 NIOGDCDTKPQEAT-UHFFFAOYSA-N 0 144.576 AF 2.788 0 Anodyne ref AFAARN Cc1cc(F)ccc1Cl Fc1ccc(Br)c(F)c1 ZINC000000409193 93/92/33/342939233 MGHBDQZXPCTTIH-UHFFFAOYSA-N 0 192.99 AF 2.727 0 Anodyne ref AFAARN Fc1ccc(Br)c(F)c1 Fc1cccc(F)c1Br ZINC000000409194 08/60/17/169086017 HRZTZLCMURHWFY-UHFFFAOYSA-N 0 192.99 AF 2.727 0 Anodyne ref AFAARN Fc1cccc(F)c1Br Oc1c(Cl)cc(F)cc1Cl ZINC000000409267 93/92/17/342939217 BOJVIFKSTRCIRJ-UHFFFAOYSA-N 0 180.993 AF 2.838 2 Anodyne low AFAALN Oc1c(Cl)cc(F)cc1Cl Oc1c(Cl)cc(F)cc1Cl ZINC000000409267 93/92/16/342939216 BOJVIFKSTRCIRJ-UHFFFAOYSA-N 0 180.993 AF 2.838 0 Anodyne ref AFAARN [O-]c1c(Cl)cc(F)cc1Cl Cc1nc2cc(F)ccc2s1 ZINC000000409340 93/91/57/342939157 LDBFGRGBYVULTJ-UHFFFAOYSA-N 0 167.208 AF 2.744 0 Anodyne ref AFAARN Cc1nc2cc(F)ccc2s1 Cc1c(F)c(F)c(C)c(F)c1F ZINC000000409360 93/92/63/342939263 IWKPBYPUIPVYNZ-UHFFFAOYSA-N 0 178.128 AF 2.86 0 Anodyne ref AFAARN Cc1c(F)c(F)c(C)c(F)c1F Fc1cc(F)c(Cl)c(F)c1 ZINC000000409369 99/55/28/170995528 HNUHTJBTOGQIHV-UHFFFAOYSA-N 0 166.529 AF 2.757 0 Anodyne ref AFAARN Fc1cc(F)c(Cl)c(F)c1 COc1ccc2ccccc2c1 ZINC000000967412 26/44/20/168264420 LUZDYPLAQQGJEA-UHFFFAOYSA-N 0 158.2 AF 2.848 0 Anodyne ref AFAARN COc1ccc2ccccc2c1 in-man endogenous CC(C)[C@H]1CC[C@H](C)CC1=O ZINC000000967523 94/23/61/342942361 NFLGAXVYCFJBMK-DTWKUNHWSA-N 0 154.253 AF 2.648 0 Anodyne ref AFAARN CC(C)[C@H]1CC[C@H](C)CC1=O in-man endogenous Cc1ccc(C(C)C)c(O)c1 ZINC000000967597 94/23/76/342942376 MGSRCZKZVOBKFT-UHFFFAOYSA-N 0 150.221 AF 2.824 0 Anodyne ref AFAARN Cc1ccc(C(C)C)c(O)c1 fda biogenic CC(C)[C@@H]1CC[C@@H](C)CC1=O ZINC000000967796 94/24/08/342942408 NFLGAXVYCFJBMK-BDAKNGLRSA-N 0 154.253 AF 2.648 0 Anodyne ref AFAARN CC(C)[C@@H]1CC[C@@H](C)CC1=O in-man endogenous C=C(C)[C@@H]1CC[C@H](C)C(=O)C1 ZINC000000967813 41/11/18/574411118 AZOCECCLWFDTAP-DTWKUNHWSA-N 0 152.237 AF 2.568 0 Mild ref AFEARN C=C(C)[C@@H]1CC[C@H](C)C(=O)C1 in-man endogenous C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 ZINC000000967816 41/11/24/574411124 AZOCECCLWFDTAP-RKDXNWHRSA-N 0 152.237 AF 2.568 0 Mild ref AFEARN C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 in-man endogenous CC(C)[C@@H]1CC[C@H](C)CC1=O ZINC000000968037 94/22/82/342942282 NFLGAXVYCFJBMK-IUCAKERBSA-N 0 154.253 AF 2.648 0 Anodyne ref AFAARN CC(C)[C@@H]1CC[C@H](C)CC1=O in-man endogenous OCC1c2ccccc2-c2ccccc21 ZINC000001004778 28/31/30/351283130 XXSCONYSQQLHTH-UHFFFAOYSA-N 0 196.249 AF 2.791 0 Anodyne ref AFAARN OCC1c2ccccc2-c2ccccc21 C=C(C)[C@@H]1CC[C@H](C)[C@@H](OC(C)=O)C1 ZINC000001081096 41/11/20/574411120 TUSIZTVSUSBSQI-WCQGTBRESA-N 0 196.29 AF 2.93 0 Mild ref AFEARN C=C(C)[C@@H]1CC[C@H](C)[C@@H](OC(C)=O)C1 in-man endogenous CC(=O)c1c(C)cc(C)cc1C ZINC000001081287 31/40/37/166314037 XWCIICLTKWRWCI-UHFFFAOYSA-N 0 162.232 AF 2.814 0 Anodyne ref AFAARN CC(=O)c1c(C)cc(C)cc1C Cc1ccc(Cl)c(C=O)c1F ZINC000001081539 81/74/97/168817497 GGZOMBUJFMOEEZ-UHFFFAOYSA-N 0 172.586 AF 2.6 0 Anodyne ref AFAARN Cc1ccc(Cl)c(C=O)c1F Cc1cc(Cl)cc(Cl)c1N ZINC000001081550 94/36/94/342943694 UAISVUGQLKXPFF-UHFFFAOYSA-N 0 176.046 AF 2.884 0 Anodyne ref AFAARN Cc1cc(Cl)cc(Cl)c1N CC(O)(c1ccccc1)c1ccccc1 ZINC000001090568 94/35/29/342943529 GIMDPFBLSKQRNP-UHFFFAOYSA-N 0 198.265 AF 2.942 0 Anodyne ref AFAARN CC(O)(c1ccccc1)c1ccccc1 in-vitro COc1ccc2ccccc2c1C=O ZINC000001410772 26/55/36/168265536 YIQGLTKAOHRZOL-UHFFFAOYSA-N 0 186.21 AF 2.661 0 Anodyne ref AFAARN COc1ccc2ccccc2c1C=O C=Cc1ccccc1C ZINC000001435985 94/52/96/342945296 NVZWEEGUWXZOKI-UHFFFAOYSA-N 0 118.179 AF 2.638 0 Anodyne ref AFAARN C=Cc1ccccc1C CC(C)=CCC/C(C)=C/CO ZINC000001529210 94/62/14/342946214 GLZPCOQZEFWAFX-JXMROGBWSA-N 0 154.253 AF 2.671 0 Anodyne ref AFAARN CC(C)=CCC/C(C)=C/CO in-man endogenous CCCCCCCCC(=O)O ZINC000001529234 94/66/28/342946628 FBUKVWPVBMHYJY-UHFFFAOYSA-N -1 158.241 AF 2.822 0 Mild ref AFEARM CCCCCCCCC(=O)[O-] in-man endogenous C=C[C@@](C)(O)CCC=C(C)C ZINC000001529819 20/76/40/171207640 CDOSHBSSFJOMGT-SNVBAGLBSA-N 0 154.253 AF 2.67 0 Mild ref AFEARN C=C[C@@](C)(O)CCC=C(C)C in-man endogenous C=C[C@](C)(O)CCC=C(C)C ZINC000001529820 22/19/66/166221966 CDOSHBSSFJOMGT-JTQLQIEISA-N 0 154.253 AF 2.67 0 Mild ref AFEARN C=C[C@](C)(O)CCC=C(C)C in-man endogenous CC(C)=CCC[C@@H](C)CCO ZINC000001531601 28/70/61/351287061 QMVPMAAFGQKVCJ-SNVBAGLBSA-N 0 156.269 AF 2.751 0 Anodyne ref AFAARN CC(C)=CCC[C@@H](C)CCO in-man endogenous CCCCCC ZINC000001532209 94/66/56/342946656 VLKZOEOYAKHREP-UHFFFAOYSA-N 0 86.178 AF 2.587 0 Anodyne ref AFAARN CCCCCC in-man endogenous CC(C)=CCC[C@H](C)CCO ZINC000001532246 41/62/30/166416230 QMVPMAAFGQKVCJ-JTQLQIEISA-N 0 156.269 AF 2.751 0 Anodyne ref AFAARN CC(C)=CCC[C@H](C)CCO in-man endogenous COc1cccc(C(F)(F)F)c1 ZINC000001556214 26/77/46/168267746 XHONYVFDZSPELQ-UHFFFAOYSA-N 0 176.137 AF 2.714 0 Anodyne ref AFAARN COc1cccc(C(F)(F)F)c1 Cc1ccc(C#N)c(Cl)c1 ZINC000001558551 94/70/54/342947054 LKWQNMIDLFGETG-UHFFFAOYSA-N 0 151.596 AF 2.52 0 Mild ref AFEARN Cc1ccc(C#N)c(Cl)c1 C=Cc1ccccc1Cl ZINC000001561519 99/76/49/170997649 ISRGONDNXBCDBM-UHFFFAOYSA-N 0 138.597 AF 2.983 0 Anodyne ref AFAARN C=Cc1ccccc1Cl