O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000000001785 50/78/02/371507802 FTVWIRXFELQLPI-CYBMUJFWSA-N -1 272.256 CF 2.51 1 Anodyne mid CFAAMM O=C1C[C@H](c2ccc(O)cc2)Oc2cc([O-])cc(O)c21 in-vitro biogenic O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000000001785 50/77/98/371507798 FTVWIRXFELQLPI-CYBMUJFWSA-N 0 272.256 CF 2.51 0 Anodyne ref CFAARN O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 in-vitro biogenic O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000000004935 84/68/85/284846885 URFCJEUYXNAHFI-CYBMUJFWSA-N -1 256.257 CF 2.804 1 Anodyne mid CFAAMM O=C1C[C@H](c2ccccc2)Oc2cc([O-])cc(O)c21 in-man endogenous O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000000004935 84/68/83/284846883 URFCJEUYXNAHFI-CYBMUJFWSA-N 0 256.257 CF 2.804 0 Anodyne ref CFAARN O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 in-man endogenous O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 ZINC000000038519 51/35/44/169513544 RRONHWAVOYADJL-HNNXBMFYSA-N -1 299.326 CF 2.609 0 Anodyne ref CFAARM O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1 in-vitro biogenic O=C(N[C@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 ZINC000000038520 51/39/93/371513993 RRONHWAVOYADJL-OAHLLOKOSA-N -1 299.326 CF 2.609 0 Anodyne ref CFAARM O=C(N[C@H](Cc1ccccc1)C(=O)[O-])OCc1ccccc1 in-vitro biogenic O=c1cc(-c2cccc(O)c2)oc2cccc(O)c12 ZINC000000038934 51/32/81/371513281 SZMQXDYEGKRZDG-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Anodyne high CFAAHM O=c1cc(-c2cccc(O)c2)oc2cccc([O-])c12 O=c1cc(-c2cccc(O)c2)oc2cccc(O)c12 ZINC000000038934 51/32/73/371513273 SZMQXDYEGKRZDG-UHFFFAOYSA-N 0 254.241 CF 2.871 1 Anodyne mid CFAAMN O=c1cc(-c2cccc(O)c2)oc2cccc(O)c12 O=c1cc(-c2cccc(O)c2)oc2cccc(O)c12 ZINC000000038934 51/32/70/371513270 SZMQXDYEGKRZDG-UHFFFAOYSA-N -1 254.241 CF 2.871 1 Anodyne mid CFAAMM O=c1cccc2oc(-c3cccc(O)c3)cc([O-])c1-2 O=c1cc(-c2cccc(O)c2)oc2cccc(O)c12 ZINC000000038934 51/32/61/371513261 SZMQXDYEGKRZDG-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1cccc2oc(-c3cccc(O)c3)cc(O)c1-2 O=c1cc(-c2cccc(O)c2)oc2cc(O)ccc12 ZINC000000038935 51/38/53/371513853 DYARIVMCYYQNNQ-UHFFFAOYSA-N 0 254.241 CF 2.871 2 Anodyne low CFAALN O=c1cc(-c2cccc(O)c2)oc2cc(O)ccc12 in-vitro O=c1cc(-c2cccc(O)c2)oc2cc(O)ccc12 ZINC000000038935 51/38/47/371513847 DYARIVMCYYQNNQ-UHFFFAOYSA-N -1 254.241 CF 2.871 0 Anodyne ref CFAARM O=c1cc(-c2cccc(O)c2)oc2cc([O-])ccc12 in-vitro COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O ZINC000000039288 51/42/02/371514202 ZTHLHHDJRXJGRX-UHFFFAOYSA-N -1 284.267 CF 2.88 1 Clean mid CFCAMM COc1cc2oc(-c3ccccc3)cc([O-])c-2c(=O)c1O in-vitro biogenic COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O ZINC000000039288 51/41/99/371514199 ZTHLHHDJRXJGRX-UHFFFAOYSA-N 0 284.267 CF 2.88 1 Clean mid CFCAMN COc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1O in-vitro biogenic COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O ZINC000000039288 51/41/93/371514193 ZTHLHHDJRXJGRX-UHFFFAOYSA-N -1 284.267 CF 2.88 1 Clean mid CFCAMM COc1cc2oc(-c3ccccc3)cc(=O)c2c([O-])c1O in-vitro biogenic COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O ZINC000000039288 51/41/89/371514189 ZTHLHHDJRXJGRX-UHFFFAOYSA-N 0 284.267 CF 2.88 0 Clean ref CFCARN COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O in-vitro biogenic O=c1c(O)c(-c2ccccc2O)oc2ccccc12 ZINC000000039289 51/40/24/371514024 VECGDSZOFMYGAF-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Anodyne high CFAAHM O=c1c(O)c(-c2ccccc2[O-])oc2ccccc12 O=c1c(O)c(-c2ccccc2O)oc2ccccc12 ZINC000000039289 51/40/14/371514014 VECGDSZOFMYGAF-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1c(O)c(-c2ccccc2O)oc2ccccc12 O=c1cc(-c2ccccc2O)oc2cc(O)ccc12 ZINC000000039290 51/33/60/371513360 NUGPQONICGTVNA-UHFFFAOYSA-N -2 254.241 CF 2.871 3 Anodyne high CFAAHL O=c1cc(-c2ccccc2[O-])oc2cc([O-])ccc12 in-vitro O=c1cc(-c2ccccc2O)oc2cc(O)ccc12 ZINC000000039290 51/33/54/371513354 NUGPQONICGTVNA-UHFFFAOYSA-N 0 254.241 CF 2.871 2 Anodyne low CFAALN O=c1cc(-c2ccccc2O)oc2cc(O)ccc12 in-vitro O=c1cc(-c2ccccc2O)oc2cc(O)ccc12 ZINC000000039290 51/33/44/371513344 NUGPQONICGTVNA-UHFFFAOYSA-N -1 254.241 CF 2.871 0 Anodyne ref CFAARM O=c1cc(-c2ccccc2O)oc2cc([O-])ccc12 in-vitro O=c1cc(-c2cccc(O)c2O)oc2ccccc12 ZINC000000039292 51/38/62/169513862 NAIMYXZJCNXCQD-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Clean high CFCAHM O=c1cc(-c2cccc(O)c2[O-])oc2ccccc12 O=c1cc(-c2cccc(O)c2O)oc2ccccc12 ZINC000000039292 51/38/59/169513859 NAIMYXZJCNXCQD-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Clean ref CFCARN O=c1cc(-c2cccc(O)c2O)oc2ccccc12 O=c1cc(-c2ccc(O)cc2O)oc2ccccc12 ZINC000000039293 51/41/36/371514136 CZYNUKPCSYBXCE-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Anodyne high CFAAHM O=c1cc(-c2ccc(O)cc2[O-])oc2ccccc12 O=c1cc(-c2ccc(O)cc2O)oc2ccccc12 ZINC000000039293 51/41/26/371514126 CZYNUKPCSYBXCE-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1cc(-c2ccc(O)cc2O)oc2ccccc12 O=c1c(O)c(-c2cccc(O)c2)oc2ccccc12 ZINC000000039298 51/40/25/169514025 QZESEGHSLFKZIV-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1c(O)c(-c2cccc(O)c2)oc2ccccc12 O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12 ZINC000000039317 51/43/24/371514324 KXPQYWKYYDYOCQ-UHFFFAOYSA-N -1 270.24 CF 2.577 1 Clean mid CFCAMM O=c1cc(-c2ccc(O)c(O)c2)oc2cccc([O-])c12 in-vitro O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12 ZINC000000039317 51/43/18/371514318 KXPQYWKYYDYOCQ-UHFFFAOYSA-N -1 270.24 CF 2.577 1 Clean mid CFCAMM O=c1cccc2oc(-c3ccc(O)c(O)c3)cc([O-])c1-2 in-vitro O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12 ZINC000000039317 51/43/09/371514309 KXPQYWKYYDYOCQ-UHFFFAOYSA-N 0 270.24 CF 2.577 1 Clean mid CFCAMN O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12 in-vitro O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12 ZINC000000039317 51/43/03/371514303 KXPQYWKYYDYOCQ-UHFFFAOYSA-N 0 270.24 CF 2.577 0 Clean ref CFCARN O=c1cccc2oc(-c3ccc(O)c(O)c3)cc(O)c1-2 in-vitro O=c1cc(-c2ccccc2O)oc2c(O)c(O)ccc12 ZINC000000039319 51/43/44/371514344 JHGZYXRWZXMYBZ-UHFFFAOYSA-N -2 270.24 CF 2.577 3 Clean high CFCAHL O=c1cc(-c2ccccc2[O-])oc2c(O)c([O-])ccc12 O=c1cc(-c2ccccc2O)oc2c(O)c(O)ccc12 ZINC000000039319 51/43/37/371514337 JHGZYXRWZXMYBZ-UHFFFAOYSA-N 0 270.24 CF 2.577 2 Clean low CFCALN O=c1cc(-c2ccccc2O)oc2c(O)c(O)ccc12 O=c1cc(-c2ccccc2O)oc2c(O)c(O)ccc12 ZINC000000039319 51/43/30/371514330 JHGZYXRWZXMYBZ-UHFFFAOYSA-N -1 270.24 CF 2.577 0 Clean ref CFCARM O=c1cc(-c2ccccc2O)oc2c(O)c([O-])ccc12 O=c1cc(-c2cccc(O)c2)oc2c(O)c(O)ccc12 ZINC000000039320 51/38/95/371513895 ZJZSQGDOCUHCCW-UHFFFAOYSA-N 0 270.24 CF 2.577 2 Clean low CFCALN O=c1cc(-c2cccc(O)c2)oc2c(O)c(O)ccc12 O=c1cc(-c2cccc(O)c2)oc2c(O)c(O)ccc12 ZINC000000039320 51/38/90/371513890 ZJZSQGDOCUHCCW-UHFFFAOYSA-N -1 270.24 CF 2.577 0 Clean ref CFCARM O=c1cc(-c2cccc(O)c2)oc2c(O)c([O-])ccc12 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccccc12 ZINC000000039321 51/36/35/371513635 KPGMHZQXQVDYNT-UHFFFAOYSA-N -1 270.24 CF 2.577 3 Clean high CFCAHM O=c1c(O)c(-c2ccc([O-])c(O)c2)oc2ccccc12 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccccc12 ZINC000000039321 51/36/01/371513601 KPGMHZQXQVDYNT-UHFFFAOYSA-N 0 270.24 CF 2.577 0 Clean ref CFCARN O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccccc12 O=C(O)c1cc(Br)c(O)c(Br)c1 ZINC000000056596 22/08/46/304220846 PHWAJJWKNLWZGJ-UHFFFAOYSA-N -1 295.914 CF 2.615 1 Anodyne mid CFAAMM O=C([O-])c1cc(Br)c(O)c(Br)c1 in-vitro O=C(O)c1cc(Br)c(O)c(Br)c1 ZINC000000056596 22/08/45/304220845 PHWAJJWKNLWZGJ-UHFFFAOYSA-N -2 295.914 CF 2.615 0 Anodyne ref CFAARL O=C([O-])c1cc(Br)c([O-])c(Br)c1 in-vitro COc1c2occc2c(OC)c2c(=O)cc(C)oc12 ZINC000000056654 18/96/50/286189650 HSMPDPBYAYSOBC-UHFFFAOYSA-N 0 260.245 CF 2.865 0 Anodyne ref CFAARN COc1c2occc2c(OC)c2c(=O)cc(C)oc12 world biogenic O=C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000056722 51/83/04/371518304 NDKDFTQNXLHCGO-UHFFFAOYSA-N -1 297.31 CF 2.61 0 Anodyne ref CFAARM O=C([O-])CNC(=O)OCC1c2ccccc2-c2ccccc21 O=Cc1cc(Br)c(O)c(Br)c1 ZINC000000057039 51/84/72/371518472 SXRHGLQCOLNZPT-UHFFFAOYSA-N -1 279.915 CF 2.73 0 Anodyne ref CFAARM O=Cc1cc(Br)c([O-])c(Br)c1 Nc1ccc(OC(F)(F)F)cc1Br ZINC000000057048 51/81/71/371518171 ROSTYHNIIDIBEG-UHFFFAOYSA-N 0 256.021 CF 2.93 0 Anodyne ref CFAARN Nc1ccc(OC(F)(F)F)cc1Br O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12 ZINC000000057647 51/88/91/371518891 QHYWQIVTVQAKQF-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=C1C=CC=C2OC(c3ccccc3)C(=O)C(O)=C12 O=c1c(O)c(-c2ccccc2)oc2ccc(O)cc12 ZINC000000057648 52/03/61/371520361 XHLOLFKZCUCROE-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1c(O)c(-c2ccccc2)oc2ccc(O)cc12 O=c1cc(-c2ccccc2O)oc2cccc(O)c12 ZINC000000057651 52/05/83/371520583 QAGGRDVXPIXVDQ-UHFFFAOYSA-N -2 254.241 CF 2.871 3 Anodyne high CFAAHL O=c1cc(-c2ccccc2[O-])oc2cccc([O-])c12 in-vitro O=c1cc(-c2ccccc2O)oc2cccc(O)c12 ZINC000000057651 52/05/78/371520578 QAGGRDVXPIXVDQ-UHFFFAOYSA-N 0 254.241 CF 2.871 2 Anodyne low CFAALN O=c1cc(-c2ccccc2O)oc2cccc(O)c12 in-vitro O=c1cc(-c2ccccc2O)oc2cccc(O)c12 ZINC000000057651 52/05/74/371520574 QAGGRDVXPIXVDQ-UHFFFAOYSA-N -1 254.241 CF 2.871 1 Anodyne mid CFAAMM O=c1cccc2oc(-c3ccccc3O)cc([O-])c1-2 in-vitro O=c1cc(-c2ccccc2O)oc2cccc(O)c12 ZINC000000057651 52/05/69/371520569 QAGGRDVXPIXVDQ-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1cccc2oc(-c3ccccc3O)cc(O)c1-2 in-vitro O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12 ZINC000000057652 52/00/65/371520065 OKRNDQLCMXUCGG-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Anodyne high CFAAHM O=c1cc(-c2ccc(O)cc2)oc2cccc([O-])c12 in-vitro O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12 ZINC000000057652 52/00/62/371520062 OKRNDQLCMXUCGG-UHFFFAOYSA-N 0 254.241 CF 2.871 1 Anodyne mid CFAAMN O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12 in-vitro O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12 ZINC000000057652 52/00/48/371520048 OKRNDQLCMXUCGG-UHFFFAOYSA-N -1 254.241 CF 2.871 1 Anodyne mid CFAAMM O=c1cccc2oc(-c3ccc(O)cc3)cc([O-])c1-2 in-vitro O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12 ZINC000000057652 52/00/40/371520040 OKRNDQLCMXUCGG-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1cccc2oc(-c3ccc(O)cc3)cc(O)c1-2 in-vitro O=c1cc(-c2ccccc2O)oc2ccc(O)cc12 ZINC000000057654 81/70/42/304817042 YCGXYGWBHFKQHY-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Anodyne high CFAAHM O=c1cc(-c2ccccc2[O-])oc2ccc(O)cc12 in-vitro O=c1cc(-c2ccccc2O)oc2ccc(O)cc12 ZINC000000057654 81/70/41/304817041 YCGXYGWBHFKQHY-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1cc(-c2ccccc2O)oc2ccc(O)cc12 in-vitro O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12 ZINC000000057655 51/99/71/371519971 YHLLABKHTFWHSZ-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12 O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12 ZINC000000057656 52/05/28/371520528 FFULTBKXWHYHFQ-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Anodyne high CFAAHM O=c1cc(-c2ccc([O-])cc2)oc2ccc(O)cc12 in-vitro O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12 ZINC000000057656 52/05/23/371520523 FFULTBKXWHYHFQ-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12 in-vitro O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12 ZINC000000057657 51/95/71/371519571 COCYGNDCWFKTMF-UHFFFAOYSA-N 0 254.241 CF 2.871 2 Clean low CFCALN O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12 in-vitro biogenic O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12 ZINC000000057657 51/95/68/371519568 COCYGNDCWFKTMF-UHFFFAOYSA-N -1 254.241 CF 2.871 0 Clean ref CFCARM O=c1cc(-c2ccccc2)oc2c(O)c([O-])ccc12 in-vitro biogenic O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12 ZINC000000057658 52/04/05/371520405 LCAWNFIFMLXZPQ-UHFFFAOYSA-N -2 254.241 CF 2.871 3 Anodyne high CFAAHL O=c1cc(-c2ccc([O-])cc2)oc2cc([O-])ccc12 biogenic in-vivo O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12 ZINC000000057658 52/04/00/371520400 LCAWNFIFMLXZPQ-UHFFFAOYSA-N 0 254.241 CF 2.871 2 Anodyne low CFAALN O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12 biogenic in-vivo O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12 ZINC000000057658 52/03/97/371520397 LCAWNFIFMLXZPQ-UHFFFAOYSA-N -1 254.241 CF 2.871 0 Anodyne ref CFAARM O=c1cc(-c2ccc(O)cc2)oc2cc([O-])ccc12 biogenic in-vivo O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12 ZINC000000057659 52/03/29/371520329 SRNPMQHYWVKBAV-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Clean high CFCAHM O=c1cc(-c2ccc([O-])c(O)c2)oc2ccccc12 aggregator in-vitro O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12 ZINC000000057659 52/03/24/371520324 SRNPMQHYWVKBAV-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Clean ref CFCARN O=c1cc(-c2ccc(O)c(O)c2)oc2ccccc12 aggregator in-vitro O=c1cc(-c2ccc(O)c(O)c2)oc2ccc(O)cc12 ZINC000000057695 52/07/07/371520707 BYVNWEGWXASECK-UHFFFAOYSA-N 0 270.24 CF 2.577 0 Clean ref CFCARN O=c1cc(-c2ccc(O)c(O)c2)oc2ccc(O)cc12 O=C(c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000000057708 52/03/19/371520319 WTRJNEICFURGNX-UHFFFAOYSA-N 0 264.284 CF 2.809 1 Anodyne mid CFAAMN O=C(c1cnn(-c2ccccc2)c1)c1ccccc1O O=C(c1cnn(-c2ccccc2)c1)c1ccccc1O ZINC000000057708 52/03/11/371520311 WTRJNEICFURGNX-UHFFFAOYSA-N -1 264.284 CF 2.809 0 Anodyne ref CFAARM O=C(c1cnn(-c2ccccc2)c1)c1ccccc1[O-] COc1ccc2c(CBr)cc(=O)oc2c1 ZINC000000057729 17/70/57/560177057 CTENSLORRMFPDH-UHFFFAOYSA-N 0 269.094 CF 2.697 0 Reactive ref CFGARN COc1ccc2c(CBr)cc(=O)oc2c1 in-vitro O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12 ZINC000000057750 52/04/48/371520448 GPGOCTLAUAHUQO-UHFFFAOYSA-N -1 254.241 CF 2.871 3 Anodyne high CFAAHM O=c1c(O)c(-c2ccc([O-])cc2)oc2ccccc12 in-vitro biogenic O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12 ZINC000000057750 52/04/42/371520442 GPGOCTLAUAHUQO-UHFFFAOYSA-N 0 254.241 CF 2.871 0 Anodyne ref CFAARN O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12 in-vitro biogenic O=c1c(O)c(-c2ccc(O)cc2)oc2cccc(O)c12 ZINC000000057752 81/55/45/304815545 ZLNYYIOAMRCRGD-UHFFFAOYSA-N 0 270.24 CF 2.577 0 Anodyne ref CFABRN O=C1C=CC=C2OC(c3ccc(O)cc3)C(=O)C(O)=C12 O=c1cc(-c2cccc(O)c2)oc2cc(O)c(O)cc12 ZINC000000057757 51/99/63/371519963 YLQLFNHURAYJDR-UHFFFAOYSA-N 0 270.24 CF 2.577 2 Clean low CFCALN O=c1cc(-c2cccc(O)c2)oc2cc(O)c(O)cc12 in-vitro biogenic O=c1cc(-c2cccc(O)c2)oc2cc(O)c(O)cc12 ZINC000000057757 51/99/56/371519956 YLQLFNHURAYJDR-UHFFFAOYSA-N -1 270.24 CF 2.577 0 Clean ref CFCARM O=c1cc(-c2cccc(O)c2)oc2cc([O-])c(O)cc12 in-vitro biogenic COc1cc2oc(=O)cc(CBr)c2cc1OC ZINC000000057797 17/70/71/560177071 JGODLBJJCNQFII-UHFFFAOYSA-N 0 299.12 CF 2.705 0 Reactive ref CFGARN COc1cc2oc(=O)cc(CBr)c2cc1OC in-vitro CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1 ZINC000000057806 52/05/96/371520596 JQYDECSZBZCKFQ-UHFFFAOYSA-N 0 259.305 CF 2.842 0 Anodyne ref CFAARN CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1 CCOc1cc(=O)oc2ccc(Br)cc12 ZINC000000057828 52/10/07/169521007 BQMYGAZNRQVFBM-UHFFFAOYSA-N 0 269.094 CF 2.954 0 Anodyne ref CFAARN CCOc1cc(=O)oc2ccc(Br)cc12 O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)ccc12 ZINC000000057845 52/05/45/371520545 PSGKFXVPVUNGDT-UHFFFAOYSA-N 0 270.24 CF 2.577 2 Anodyne low CFAALN O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)ccc12 O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)ccc12 ZINC000000057845 52/05/35/371520535 PSGKFXVPVUNGDT-UHFFFAOYSA-N -1 270.24 CF 2.577 0 Anodyne ref CFAARM O=c1c(O)c(-c2cccc(O)c2)oc2cc([O-])ccc12 O=c1cc(-c2cccc(O)c2O)oc2ccc(O)cc12 ZINC000000057846 52/02/66/371520266 WAOMPPQDRVQLSX-UHFFFAOYSA-N -1 270.24 CF 2.577 3 Clean high CFCAHM O=c1cc(-c2cccc(O)c2[O-])oc2ccc(O)cc12 O=c1cc(-c2cccc(O)c2O)oc2ccc(O)cc12 ZINC000000057846 52/02/58/371520258 WAOMPPQDRVQLSX-UHFFFAOYSA-N 0 270.24 CF 2.577 0 Clean ref CFCARN O=c1cc(-c2cccc(O)c2O)oc2ccc(O)cc12 O=c1c(O)c(-c2cccc(O)c2)oc2ccc(O)cc12 ZINC000000057849 52/10/72/169521072 LRMWPUURCIXKOC-UHFFFAOYSA-N 0 270.24 CF 2.577 0 Anodyne ref CFAARN O=c1c(O)c(-c2cccc(O)c2)oc2ccc(O)cc12 in-vitro CO[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 ZINC000000057852 64/08/73/277640873 ARFRWVLNDNZOTL-HZPDHXFCSA-N 0 270.284 CF 2.724 0 Anodyne ref CFABRN CO[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 CO[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 ZINC000000057853 44/68/79/393446879 ARFRWVLNDNZOTL-CVEARBPZSA-N 0 270.284 CF 2.724 0 Anodyne ref CFABRN CO[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 CO[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 ZINC000000057854 52/05/90/371520590 ARFRWVLNDNZOTL-JKSUJKDBSA-N 0 270.284 CF 2.724 0 Anodyne ref CFABRN CO[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 CO[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 ZINC000000057855 33/49/54/277334954 ARFRWVLNDNZOTL-HOTGVXAUSA-N 0 270.284 CF 2.724 0 Anodyne ref CFABRN CO[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 O=C1C[C@H](c2ccccc2O)Oc2ccc(O)cc21 ZINC000000057860 52/09/57/169520957 JMSUEPQZGKBECJ-OAHLLOKOSA-N 0 256.257 CF 2.804 0 Anodyne ref CFAARN O=C1C[C@H](c2ccccc2O)Oc2ccc(O)cc21 O=C1C[C@@H](c2ccccc2O)Oc2ccc(O)cc21 ZINC000000057861 83/72/11/284837211 JMSUEPQZGKBECJ-HNNXBMFYSA-N 0 256.257 CF 2.804 0 Anodyne ref CFAARN O=C1C[C@@H](c2ccccc2O)Oc2ccc(O)cc21 O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12 ZINC000000057915 52/00/30/371520030 HJCIUNMVLYBADX-UHFFFAOYSA-N -2 270.24 CF 2.577 3 Clean high CFCAHL O=c1cc(-c2ccc([O-])cc2)oc2c(O)c([O-])ccc12 O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12 ZINC000000057915 52/00/20/371520020 HJCIUNMVLYBADX-UHFFFAOYSA-N 0 270.24 CF 2.577 2 Clean low CFCALN O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12 O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12 ZINC000000057915 52/00/03/371520003 HJCIUNMVLYBADX-UHFFFAOYSA-N -1 270.24 CF 2.577 0 Clean ref CFCARM O=c1cc(-c2ccc(O)cc2)oc2c(O)c([O-])ccc12 Cc1c(C#N)c(=O)oc2ccc(Br)cc12 ZINC000000057986 58/33/83/278583383 NPCFOYALAZMRDI-UHFFFAOYSA-N 0 264.078 CF 2.736 0 Mild ref CFEARN Cc1c(C#N)c(=O)oc2ccc(Br)cc12 COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC ZINC000000058163 52/04/30/371520430 LRXMMYWDVBYTPO-UHFFFAOYSA-N -1 288.299 CF 2.54 1 Anodyne mid CFAAMM COc1ccc(CC(=O)c2ccc([O-])cc2O)cc1OC COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC ZINC000000058163 52/04/24/371520424 LRXMMYWDVBYTPO-UHFFFAOYSA-N 0 288.299 CF 2.54 0 Anodyne ref CFAARN COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC COc1cc(O)c(C(=O)Cc2ccccc2)c(OC)c1 ZINC000000058166 52/05/04/371520504 NIWDJRBUBVCKAV-UHFFFAOYSA-N 0 272.3 CF 2.835 0 Anodyne ref CFAARN COc1cc(O)c(C(=O)Cc2ccccc2)c(OC)c1 O=C(c1ccccc1)n1c(=O)sc2ccccc21 ZINC000000058205 52/05/53/371520553 GKHWPLRQRJNORB-UHFFFAOYSA-N 0 255.298 CF 2.752 0 Anodyne ref CFAARN O=C(c1ccccc1)n1c(=O)sc2ccccc21 COc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1 ZINC000000058274 26/42/50/286264250 RYLLTTFNKPGBNO-UHFFFAOYSA-N 0 252.273 CF 2.599 0 Anodyne ref CFAARN COc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1 O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000000073693 83/66/84/284836684 URFCJEUYXNAHFI-ZDUSSCGKSA-N -1 256.257 CF 2.804 1 Anodyne mid CFAAMM O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O)c21 in-man endogenous O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000000073693 83/66/83/284836683 URFCJEUYXNAHFI-ZDUSSCGKSA-N 0 256.257 CF 2.804 0 Anodyne ref CFAARN O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 in-man endogenous Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O ZINC000000075546 52/36/69/371523669 PPKCMGUTHICRLU-UHFFFAOYSA-N 0 254.648 CF 2.541 0 Anodyne ref CFAARN Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O