Oc1ccc2ccccc2c1Br ZINC000000001318 28/42/78/183284278 FQJZPYXGPYJJIH-UHFFFAOYSA-N -1 223.069 BG 3.308 1 Anodyne mid BGAAMM [O-]c1ccc2ccccc2c1Br Oc1ccc2ccccc2c1Br ZINC000000001318 28/42/75/183284275 FQJZPYXGPYJJIH-UHFFFAOYSA-N 0 223.069 BG 3.308 0 Anodyne ref BGAARN Oc1ccc2ccccc2c1Br O=C1Nc2ccccc2Sc2ccccc21 ZINC000000014023 17/67/84/560176784 RTERDTBXBYNZIS-UHFFFAOYSA-N 0 227.288 BG 3.404 0 Anodyne ref BGAARN O=C1Nc2ccccc2Sc2ccccc21 in-vitro Cc1ccc(-c2c(C)sc(N)c2C#N)cc1 ZINC000000034145 31/78/71/178317871 RHICPTFVQDHWOQ-UHFFFAOYSA-N 0 228.32 BG 3.486 0 Mild ref BGEARN Cc1ccc(-c2c(C)sc(N)c2C#N)cc1 COc1cc(C=O)ccc1OCc1ccccc1 ZINC000000035739 67/05/95/342670595 JSHLOPGSDZTEGQ-UHFFFAOYSA-N 0 242.274 BG 3.087 0 Anodyne ref BGAARN COc1cc(C=O)ccc1OCc1ccccc1 in-vitro metabolite CC(C)(C)[C@H]1CCc2c(sc(N)c2C#N)C1 ZINC000000035868 96/88/61/190968861 QDIYAWBTKKYATE-QMMMGPOBSA-N 0 234.368 BG 3.353 0 Mild ref BGEARN CC(C)(C)[C@H]1CCc2c(sc(N)c2C#N)C1 CC(C)(C)[C@@H]1CCc2c(sc(N)c2C#N)C1 ZINC000000035869 90/50/78/384905078 QDIYAWBTKKYATE-MRVPVSSYSA-N 0 234.368 BG 3.353 0 Mild ref BGEARN CC(C)(C)[C@@H]1CCc2c(sc(N)c2C#N)C1 CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000000056434 09/87/12/188098712 IISBACLAFKSPIT-UHFFFAOYSA-N 0 228.291 BG 3.424 0 Anodyne ref BGAARN CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 in-man endogenous O=c1oc2cc(O)ccc2cc1-c1ccccc1 ZINC000000058069 58/04/81/187580481 RIPZCQZTVDNJHQ-UHFFFAOYSA-N 0 238.242 BG 3.166 1 Anodyne mid BGAAMN O=c1oc2cc(O)ccc2cc1-c1ccccc1 in-vivo O=c1oc2cc(O)ccc2cc1-c1ccccc1 ZINC000000058069 58/04/79/187580479 RIPZCQZTVDNJHQ-UHFFFAOYSA-N -1 238.242 BG 3.166 0 Anodyne ref BGAARM O=c1oc2cc([O-])ccc2cc1-c1ccccc1 in-vivo Cc1c(OCC(F)(F)F)ccnc1CCl ZINC000000058231 17/71/86/560177186 AENYCMZUDXQARW-UHFFFAOYSA-N 1 239.624 BG 3.07 2 Reactive low BGGALO Cc1c(OCC(F)(F)F)cc[nH+]c1CCl in-vitro Cc1c(OCC(F)(F)F)ccnc1CCl ZINC000000058231 17/71/85/560177185 AENYCMZUDXQARW-UHFFFAOYSA-N 0 239.624 BG 3.07 0 Reactive ref BGGARN Cc1c(OCC(F)(F)F)ccnc1CCl in-vitro O=C(O)c1ccc(Oc2ccccc2)cc1 ZINC000000060939 67/21/35/342672135 RYAQFHLUEMJOMF-UHFFFAOYSA-N -1 214.22 BG 3.177 0 Anodyne ref BGAARM O=C([O-])c1ccc(Oc2ccccc2)cc1 in-vitro CCC(=O)c1ccc(Br)cc1 ZINC000000065216 25/49/61/168254961 UOMOSYFPKGQIKI-UHFFFAOYSA-N 0 213.074 BG 3.042 0 Anodyne ref BGAARN CCC(=O)c1ccc(Br)cc1 O=C(O)c1sc2ccccc2c1Cl ZINC000000066959 59/85/90/182598590 HJTMIYKPPPYDRJ-UHFFFAOYSA-N -1 212.657 BG 3.253 0 Anodyne ref BGAARM O=C([O-])c1sc2ccccc2c1Cl Cc1c(-c2ccc(C=O)o2)ccc([N+](=O)[O-])c1C ZINC000000067564 12/85/20/344128520 BZFQXRWKSKGWCB-UHFFFAOYSA-N 0 245.234 BG 3.284 0 Bother ref BGBARN Cc1c(-c2ccc(C=O)o2)ccc([N+](=O)[O-])c1C O=C(NCc1ccccc1)c1ccc(Cl)cc1 ZINC000000075812 25/71/71/182257171 LSMWDKIFKGLNSW-UHFFFAOYSA-N 0 245.709 BG 3.27 0 Anodyne ref BGAARN O=C(NCc1ccccc1)c1ccc(Cl)cc1 CSC(=CC(=O)c1ccco1)SC ZINC000000079625 82/38/39/383823839 ACPFITCTNYJGQD-UHFFFAOYSA-N 0 214.311 BG 3.03 0 Mild ref BGEARN CSC(=CC(=O)c1ccco1)SC Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1 ZINC000000080342 27/27/46/188272746 JYUWIOFDMMGBQI-UHFFFAOYSA-N 0 246.291 BG 3.328 0 Bother ref BGBARN Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1 O=C(O)/C(=C\c1ccccc1)c1ccccc1 ZINC000000080749 82/40/70/383824070 BIDDLDNGQCUOJQ-KAMYIIQDSA-N -1 224.259 BG 3.312 0 Anodyne ref BGAARM O=C([O-])/C(=C\c1ccccc1)c1ccccc1 in-vitro Brc1ccc2[nH]c3c(c2c1)CCC3 ZINC000000081142 09/94/91/166099491 XKDWSCYYHKJAGK-UHFFFAOYSA-N 0 236.112 BG 3.419 0 Anodyne ref BGAARN Brc1ccc2[nH]c3c(c2c1)CCC3 O=C1/C(=C/c2cccs2)COc2ccccc21 ZINC000000084805 67/37/78/342673778 ZNSDCNJMPKNYLO-CSKARUKUSA-N 0 242.299 BG 3.407 0 Mild ref BGEARN O=C1/C(=C/c2cccs2)COc2ccccc21 O=[N+]([O-])c1ccc(OCc2ccccc2)cc1 ZINC000000091993 32/77/84/344327784 YOVUXLHIVNBVKO-UHFFFAOYSA-N 0 229.235 BG 3.174 0 Bother ref BGBARN O=[N+]([O-])c1ccc(OCc2ccccc2)cc1 CSc1ccsc1C1=NC(C)(C)CO1 ZINC000000109054 67/48/48/342674848 RRGCQPOAEMJNJF-UHFFFAOYSA-N 0 227.354 BG 3.025 0 Anodyne ref BGAARN CSc1ccsc1C1=NC(C)(C)CO1 CC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000122583 46/85/27/166468527 MKYMYZJJFMPDOA-UHFFFAOYSA-N 0 226.275 BG 3.468 0 Anodyne ref BGAARN CC(=O)c1ccc(OCc2ccccc2)cc1 Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000000122891 67/57/49/342675749 RHAQPESVLRVQJU-UHFFFAOYSA-N 0 237.258 BG 3.042 0 Anodyne ref BGAARN Nc1cccc(-c2cc3ccccc3oc2=O)c1 O=C(O)Cc1ccccc1Sc1ccccc1 ZINC000000136344 83/29/55/383832955 JMIYLNQBNSEKAO-UHFFFAOYSA-N -1 244.315 BG 3.465 0 Anodyne ref BGAARM O=C([O-])Cc1ccccc1Sc1ccccc1 O=Cc1ccccc1OCc1ccccc1 ZINC000000151777 83/33/74/383833374 PBEJTRAJWCNHRS-UHFFFAOYSA-N 0 212.248 BG 3.078 0 Anodyne ref BGAARN O=Cc1ccccc1OCc1ccccc1 O=C(O)c1ccccc1Nc1ccccc1 ZINC000000154642 67/77/81/342677781 ZWJINEZUASEZBH-UHFFFAOYSA-N -1 213.236 BG 3.128 0 Anodyne ref BGAARM O=C([O-])c1ccccc1Nc1ccccc1 in-vitro O=C(O)c1ccccc1CCc1ccccc1 ZINC000000155141 67/76/61/342677661 IOHPVZBSOKLVMN-UHFFFAOYSA-N -1 226.275 BG 3.17 0 Anodyne ref BGAARM O=C([O-])c1ccccc1CCc1ccccc1 O=C(O)Cc1cccc(Oc2ccccc2)c1 ZINC000000157001 83/57/14/383835714 LEMRHTTWKDVQEI-UHFFFAOYSA-N -1 228.247 BG 3.106 0 Anodyne ref BGAARM O=C([O-])Cc1cccc(Oc2ccccc2)c1 O=C(O)c1ccc(-c2ccccc2)s1 ZINC000000158686 56/25/72/182562572 QGMFBCDNJUZQBZ-UHFFFAOYSA-N -1 204.25 BG 3.113 0 Anodyne ref BGAARM O=C([O-])c1ccc(-c2ccccc2)s1 Brc1cccc(-n2cccc2)c1 ZINC000000158962 10/21/33/166102133 LEUXOIBRUWVBGM-UHFFFAOYSA-N 0 222.085 BG 3.24 0 Anodyne ref BGAARN Brc1cccc(-n2cccc2)c1 COc1ccc(C=O)cc1OCc1ccccc1 ZINC000000160575 08/66/87/175086687 VQVQZFHUXRSRBZ-UHFFFAOYSA-N 0 242.274 BG 3.087 0 Anodyne ref BGAARN COc1ccc(C=O)cc1OCc1ccccc1 in-vitro O=C(O)Cc1csc2ccc(Cl)cc12 ZINC000000162019 83/56/64/383835664 QQKKTOPRRGBBCT-UHFFFAOYSA-N -1 226.684 BG 3.182 0 Anodyne ref BGAARM O=C([O-])Cc1csc2ccc(Cl)cc12 in-vitro Cc1cc(Br)cc(C)c1N(C)C ZINC000000162150 67/84/37/342678437 NDDKEDQKCHIHMI-UHFFFAOYSA-N 0 228.133 BG 3.132 0 Anodyne ref BGAARN Cc1cc(Br)cc(C)c1N(C)C COc1ccc2cc(C(C)=O)ccc2c1 ZINC000000164714 22/37/78/175223778 GGWCZBGAIGGTDA-UHFFFAOYSA-N 0 200.237 BG 3.051 0 Anodyne ref BGAARN COc1ccc2cc(C(C)=O)ccc2c1 in-vitro COc1ccc(-c2ccc(C=O)s2)cc1 ZINC000000165544 03/28/04/175032804 ODLOZSNXTQAWGQ-UHFFFAOYSA-N 0 218.277 BG 3.236 0 Anodyne ref BGAARN COc1ccc(-c2ccc(C=O)s2)cc1 Cc1ccc(Sc2ncccc2[N+](=O)[O-])cc1 ZINC000000166658 82/84/41/383828441 FNKORSCJIMKGHT-UHFFFAOYSA-N 0 246.291 BG 3.449 0 Bother ref BGBARN Cc1ccc(Sc2ncccc2[N+](=O)[O-])cc1 c1ccc(Cn2cnc3ccccc32)cc1 ZINC000000167633 83/92/92/383839292 MNEIJGDSFRHGMS-UHFFFAOYSA-N 0 208.264 BG 3.085 0 Anodyne ref BGAARN c1ccc(Cn2cnc3ccccc32)cc1 O=Cc1ccc2noc(-c3ccccc3)c2c1 ZINC000000169949 83/94/41/383839441 HBKIUYNVKNTXMD-UHFFFAOYSA-N 0 223.231 BG 3.307 0 Anodyne ref BGAARN O=Cc1ccc2noc(-c3ccccc3)c2c1 Clc1nc(-c2cccnc2)nc2ccccc12 ZINC000000183800 60/11/97/180601197 TWEFNYVYEPIXIB-UHFFFAOYSA-N 0 241.681 BG 3.345 0 Anodyne ref BGAARN Clc1nc(-c2cccnc2)nc2ccccc12 Cc1sc(C(=O)O)c(-n2c(C)ccc2C)c1C ZINC000000207825 67/99/66/342679966 FJEQPPDVCVKRQF-UHFFFAOYSA-N -1 249.335 BG 3.471 0 Anodyne ref BGAARM Cc1sc(C(=O)[O-])c(-n2c(C)ccc2C)c1C C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1 ZINC000000209924 11/57/61/176115761 WMDTVTLGXVIKJO-VXGBXAGGSA-N 0 217.312 BG 3.09 0 Anodyne ref BGAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1 C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1 ZINC000000209925 13/11/06/177131106 WMDTVTLGXVIKJO-RYUDHWBXSA-N 0 217.312 BG 3.09 0 Anodyne ref BGAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1 O=C(O)c1cccnc1SCc1ccccc1 ZINC000000217951 68/04/03/342680403 OJNZDGDYAXCHPB-UHFFFAOYSA-N -1 245.303 BG 3.072 0 Anodyne ref BGAARM O=C([O-])c1cccnc1SCc1ccccc1 C[C@@]12CC3CC(CC(=O)O)(C1)C[C@](C)(C3)C2 ZINC000000226205 68/07/03/342680703 FUOXJVUIQUYDDI-AMZBWDOQSA-N -1 222.328 BG 3.458 0 Anodyne ref BGAARM C[C@@]12CC3CC(CC(=O)[O-])(C1)C[C@](C)(C3)C2 Cn1c(-c2ccccc2)cc(=O)c2ccccc21 ZINC000000265498 68/16/61/342681661 AFKNCQDBTBDPOQ-UHFFFAOYSA-N 0 235.286 BG 3.206 0 Anodyne ref BGAARN Cn1c(-c2ccccc2)cc(=O)c2ccccc21 in-vitro biogenic C[n+]1c(Cc2ccccc2)sc2ccccc21 ZINC000000272215 68/18/18/342681818 JNVJIBRZZZLGHI-UHFFFAOYSA-N 1 240.351 BG 3.317 0 Anodyne ref BGAARO C[n+]1c(Cc2ccccc2)sc2ccccc21 CC(C)Cn1c(C(C)C)nc([N+](=O)[O-])c1Cl ZINC000000274482 99/94/52/383999452 KVUAJIVXWJJOOG-UHFFFAOYSA-N 0 245.71 BG 3.224 0 Bother ref BGBARN CC(C)Cn1c(C(C)C)nc([N+](=O)[O-])c1Cl O=C(O)c1cccc(Oc2ccccc2)c1 ZINC000000284966 68/21/54/342682154 NXTDJHZGHOFSQG-UHFFFAOYSA-N -1 214.22 BG 3.177 0 Anodyne ref BGAARM O=C([O-])c1cccc(Oc2ccccc2)c1 in-man endogenous Cc1ccc2cc(C=O)c(Cl)nc2c1C ZINC000000287809 68/24/08/342682408 ISBVEHFRQCFGCD-UHFFFAOYSA-N 0 219.671 BG 3.318 0 Anodyne ref BGAARN Cc1ccc2cc(C=O)c(Cl)nc2c1C Cc1ccc(C)c2nc(Cl)c(C=O)cc12 ZINC000000287815 68/24/27/342682427 MEVWOQZZSJDOBU-UHFFFAOYSA-N 0 219.671 BG 3.318 0 Anodyne ref BGAARN Cc1ccc(C)c2nc(Cl)c(C=O)cc12 Cc1cc2cc(C=O)c(Cl)nc2cc1C ZINC000000287816 29/40/42/178294042 MRKMNOLGKUJUSJ-UHFFFAOYSA-N 0 219.671 BG 3.318 0 Anodyne ref BGAARN Cc1cc2cc(C=O)c(Cl)nc2cc1C CCOc1ccc2nc(Cl)c(C=O)cc2c1 ZINC000000287818 73/14/67/517731467 BNLBYGHJJYCBEJ-UHFFFAOYSA-N 0 235.67 BG 3.099 0 Anodyne ref BGAARN CCOc1ccc2nc(Cl)c(C=O)cc2c1 O=C(O)/C(=C\c1ccc(O)cc1)c1ccccc1 ZINC000000330034 85/39/29/383853929 GAXUWNPJYOWVDR-UVTDQMKNSA-N -2 240.258 BG 3.017 3 Anodyne high BGAAHL O=C([O-])/C(=C\c1ccc([O-])cc1)c1ccccc1 O=C(O)/C(=C\c1ccc(O)cc1)c1ccccc1 ZINC000000330034 85/39/21/383853921 GAXUWNPJYOWVDR-UVTDQMKNSA-N -1 240.258 BG 3.017 0 Anodyne ref BGAARM O=C([O-])/C(=C\c1ccc(O)cc1)c1ccccc1 Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1 ZINC000000330259 89/64/06/385896406 TZLPNFGBHSHCDP-UHFFFAOYSA-N 0 221.259 BG 3.098 0 Mild ref BGEARN Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1 O=C(O)CCCc1ccc2c3c(cccc13)CC2 ZINC000000330265 85/45/00/383854500 IDYVPDNJQIGRNJ-UHFFFAOYSA-N -1 240.302 BG 3.346 0 Anodyne ref BGAARM O=C([O-])CCCc1ccc2c3c(cccc13)CC2 O=C(O)C(F)=C1c2ccccc2-c2ccccc21 ZINC000000330719 85/36/40/383853640 YDSLTTPUTLNZHT-UHFFFAOYSA-N -1 240.233 BG 3.481 0 Anodyne ref BGAARM O=C([O-])C(F)=C1c2ccccc2-c2ccccc21 CCOc1ncc2ccccc2c1Cl ZINC000000331319 68/36/65/342683665 VZXWTCVKKNGMMC-UHFFFAOYSA-N 0 207.66 BG 3.287 0 Anodyne ref BGAARN CCOc1ncc2ccccc2c1Cl c1ccc2c(N3CCCCC3)nccc2c1 ZINC000000331450 31/35/52/132313552 JBOILZFFYWYWNY-UHFFFAOYSA-N 1 212.296 BG 3.225 2 Anodyne low BGAALO c1ccc2c(N3CCCCC3)[nH+]ccc2c1 c1ccc2c(N3CCCCC3)nccc2c1 ZINC000000331450 31/35/51/132313551 JBOILZFFYWYWNY-UHFFFAOYSA-N 0 212.296 BG 3.225 0 Anodyne ref BGAARN c1ccc2c(N3CCCCC3)nccc2c1 c1cc(N2CCCCC2)cc(N2CCCCC2)n1 ZINC000000331466 31/34/65/132313465 JRAIJZWHLYPHKH-UHFFFAOYSA-N 1 245.37 BG 3.062 0 Anodyne ref BGAARO c1cc(N2CCCCC2)cc(N2CCCCC2)[nH+]1 c1cc(N2CCCCC2)nc(N2CCCCC2)c1 ZINC000000331468 31/34/73/132313473 YUZOFHAVKNEMIR-UHFFFAOYSA-N 0 245.37 BG 3.062 1 Anodyne mid BGAAMN c1cc(N2CCCCC2)nc(N2CCCCC2)c1 c1cc(N2CCCCC2)nc(N2CCCCC2)c1 ZINC000000331468 31/34/71/132313471 YUZOFHAVKNEMIR-UHFFFAOYSA-N 1 245.37 BG 3.062 0 Anodyne ref BGAARO c1cc(N2CCCCC2)[nH+]c(N2CCCCC2)c1 [O-][n+]1cnc(-c2ccccc2)cc1-c1ccccc1 ZINC000000331493 31/86/59/183318659 RZLLYRFQUKPWHH-UHFFFAOYSA-N 0 248.285 BG 3.049 0 Anodyne ref BGAARN [O-][n+]1cnc(-c2ccccc2)cc1-c1ccccc1 CN(C)c1ccc(-c2ccccc2)cc1N ZINC000000331607 68/35/58/342683558 RKRMICSSOHOPJM-UHFFFAOYSA-N 0 212.296 BG 3.002 0 Anodyne ref BGAARN CN(C)c1ccc(-c2ccccc2)cc1N Cc1cc(C)c(C#N)c(SC(C)(C)C)n1 ZINC000000332211 29/06/34/398290634 HTHMAJRMJQIIJN-UHFFFAOYSA-N 0 220.341 BG 3.461 0 Mild ref BGEARN Cc1cc(C)c(C#N)c(SC(C)(C)C)n1 O=[N+]([O-])c1cc(Br)ccc1Cl ZINC000000332360 27/33/41/188273341 DJRYWPGOQTUJMQ-UHFFFAOYSA-N 0 236.452 BG 3.011 0 Bother ref BGBARN O=[N+]([O-])c1cc(Br)ccc1Cl COc1ccc(Sc2ccccc2CO)cc1 ZINC000000332421 68/36/08/342683608 OCLOSVWSMAAMMF-UHFFFAOYSA-N 0 246.331 BG 3.339 0 Anodyne ref BGAARN COc1ccc(Sc2ccccc2CO)cc1 Cc1ccc2nc(Br)ccc2c1 ZINC000000332684 97/29/79/178972979 PFRRWCLQPTZNCN-UHFFFAOYSA-N 0 222.085 BG 3.306 0 Anodyne ref BGAARN Cc1ccc2nc(Br)ccc2c1 O=Cc1c(-c2ccccc2)cc2ccccn12 ZINC000000332790 85/85/52/182858552 HXCCGUNEMZFUFU-UHFFFAOYSA-N 0 221.259 BG 3.419 0 Anodyne ref BGAARN O=Cc1c(-c2ccccc2)cc2ccccn12 Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000000332813 34/50/88/178345088 YGUWNSYHYBHIIC-UHFFFAOYSA-N 0 213.28 BG 3.215 0 Clean ref BGCARN Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 O=Cc1c(OC(F)F)ccc2ccccc12 ZINC000000332832 85/42/17/383854217 KHYFVIYUNAEOHW-UHFFFAOYSA-N 0 222.19 BG 3.254 0 Anodyne ref BGAARN O=Cc1c(OC(F)F)ccc2ccccc12 O=C(c1ccccc1)c1nccc2ccccc12 ZINC000000332894 68/37/07/342683707 MDWCIKACMBMJFA-UHFFFAOYSA-N 0 233.27 BG 3.466 0 Anodyne ref BGAARN O=C(c1ccccc1)c1nccc2ccccc12 O[C@H](c1cccs1)c1nccc2ccccc12 ZINC000000333006 23/01/90/183230190 JTOLXTYEZMNSNR-CQSZACIVSA-N 0 241.315 BG 3.378 0 Anodyne ref BGAARN O[C@H](c1cccs1)c1nccc2ccccc12 O[C@@H](c1cccs1)c1nccc2ccccc12 ZINC000000333007 18/66/93/183186693 JTOLXTYEZMNSNR-AWEZNQCLSA-N 0 241.315 BG 3.378 0 Anodyne ref BGAARN O[C@@H](c1cccs1)c1nccc2ccccc12 Cc1c(Cl)c(Cl)nc(Cl)c1C(=O)O ZINC000000333184 59/68/08/177596808 SSKQQYTWGFOTOY-UHFFFAOYSA-N -1 240.473 BG 3.048 0 Anodyne ref BGAARM Cc1c(Cl)c(Cl)nc(Cl)c1C(=O)[O-] CSc1ccc2cc(C=O)c(Cl)nc2c1 ZINC000000333657 68/35/84/342683584 AZKPVKLQVQZMHR-UHFFFAOYSA-N 0 237.711 BG 3.423 0 Anodyne ref BGAARN CSc1ccc2cc(C=O)c(Cl)nc2c1 Cc1cc(C)c2cc(C=O)c(Cl)nc2c1 ZINC000000333764 85/53/93/383855393 DIMGKYRNZAHUIS-UHFFFAOYSA-N 0 219.671 BG 3.318 0 Anodyne ref BGAARN Cc1cc(C)c2cc(C=O)c(Cl)nc2c1 COc1ccccc1-c1ccccc1[N+](=O)[O-] ZINC000000333785 30/97/20/175309720 LUAAEXWZEIXKHQ-UHFFFAOYSA-N 0 229.235 BG 3.27 0 Bother ref BGBARN COc1ccccc1-c1ccccc1[N+](=O)[O-] CCc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000000333946 78/14/97/171781497 OHTOIZUKXXRNDL-UHFFFAOYSA-N 0 227.307 BG 3.469 0 Clean ref BGCARN CCc1ccc(-n2c(C)cc(C=O)c2C)cc1 CCc1ccccc1-n1c(C)cc(C=O)c1C ZINC000000333950 86/99/10/171869910 YHBICGIUEWNWRA-UHFFFAOYSA-N 0 227.307 BG 3.469 0 Clean ref BGCARN CCc1ccccc1-n1c(C)cc(C=O)c1C Cc1cc(C=O)c(C)n1-c1ccccc1F ZINC000000333953 68/35/64/342683564 AWMIXYYZKHFFFW-UHFFFAOYSA-N 0 217.243 BG 3.046 0 Clean ref BGCARN Cc1cc(C=O)c(C)n1-c1ccccc1F O=Cc1sccc1-c1cscc1[N+](=O)[O-] ZINC000000334038 06/40/30/384064030 QHTLYWGQFLIBMZ-UHFFFAOYSA-N 0 239.277 BG 3.197 0 Bother ref BGBARN O=Cc1sccc1-c1cscc1[N+](=O)[O-] O=Cc1cscc1-c1ccsc1[N+](=O)[O-] ZINC000000334040 06/45/41/384064541 RZIYQUKMTLIYRM-UHFFFAOYSA-N 0 239.277 BG 3.197 0 Bother ref BGBARN O=Cc1cscc1-c1ccsc1[N+](=O)[O-] O=Cc1sccc1-c1ccsc1[N+](=O)[O-] ZINC000000334042 06/39/13/384063913 HTSRFKBDQMNEFU-UHFFFAOYSA-N 0 239.277 BG 3.197 0 Bother ref BGBARN O=Cc1sccc1-c1ccsc1[N+](=O)[O-] O=Cc1cscc1-c1cscc1[N+](=O)[O-] ZINC000000334043 06/41/71/384064171 HFYVZKGOKKJBOD-UHFFFAOYSA-N 0 239.277 BG 3.197 0 Bother ref BGBARN O=Cc1cscc1-c1cscc1[N+](=O)[O-] O=Cc1sccc1-c1ccsc1C=O ZINC000000334051 85/60/43/383856043 UYWAPXIXMROYBD-UHFFFAOYSA-N 0 222.29 BG 3.102 0 Anodyne ref BGAARN O=Cc1sccc1-c1ccsc1C=O O=Cc1cscc1-c1cscc1C=O ZINC000000334052 85/58/41/383855841 VDMDHVOUCVTPSR-UHFFFAOYSA-N 0 222.29 BG 3.102 0 Anodyne ref BGAARN O=Cc1cscc1-c1cscc1C=O O=Cc1sccc1-c1ccccc1[N+](=O)[O-] ZINC000000334057 06/43/73/384064373 ZICJEZSPEBQEHB-UHFFFAOYSA-N 0 233.248 BG 3.136 0 Bother ref BGBARN O=Cc1sccc1-c1ccccc1[N+](=O)[O-] O=Cc1ccsc1-c1ccccc1[N+](=O)[O-] ZINC000000334059 87/37/11/182873711 TUJKPYKOYHDHMY-UHFFFAOYSA-N 0 233.248 BG 3.136 0 Bother ref BGBARN O=Cc1ccsc1-c1ccccc1[N+](=O)[O-] O=Cc1ccccc1-c1ccccc1[N+](=O)[O-] ZINC000000334071 06/56/37/384065637 OTPITYJXOMULCO-UHFFFAOYSA-N 0 227.219 BG 3.074 0 Bother ref BGBARN O=Cc1ccccc1-c1ccccc1[N+](=O)[O-] O=Cc1cc2c(s1)CCc1ccccc1C2 ZINC000000334074 85/63/53/383856353 GQVCNCQUBUVFON-UHFFFAOYSA-N 0 228.316 BG 3.25 0 Anodyne ref BGAARN O=Cc1cc2c(s1)CCc1ccccc1C2 CC(=O)Nc1ccc(Cl)cc1Br ZINC000000334483 27/30/54/188273054 FXRJRUAYMSVQKU-UHFFFAOYSA-N 0 248.507 BG 3.061 0 Anodyne ref BGAARN CC(=O)Nc1ccc(Cl)cc1Br COC(=O)c1cc2scc(Cl)c2s1 ZINC000000334540 85/61/55/383856155 ILIQEVWFLWYFLR-UHFFFAOYSA-N 0 232.713 BG 3.403 0 Anodyne ref BGAARN COC(=O)c1cc2scc(Cl)c2s1 O=[N+]([O-])c1csc2c1ncc1sccc12 ZINC000000334546 70/17/31/344701731 KKIVKRAFOZIANK-UHFFFAOYSA-N 0 236.277 BG 3.419 0 Bother ref BGBARN O=[N+]([O-])c1csc2c1ncc1sccc12 O=[N+]([O-])c1cc2c(ncc3sccc32)s1 ZINC000000334560 70/16/42/344701642 LNEBJARFDGKNGJ-UHFFFAOYSA-N 0 236.277 BG 3.419 0 Bother ref BGBARN O=[N+]([O-])c1cc2c(ncc3sccc32)s1 O=[N+]([O-])c1scc2cnc3cscc3c12 ZINC000000334562 96/14/66/182961466 ZCDWIKAPWPUUCV-UHFFFAOYSA-N 0 236.277 BG 3.419 0 Bother ref BGBARN O=[N+]([O-])c1scc2cnc3cscc3c12