O=C(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000000076 67/69/29/182676929 ISAOCJYIOMOJEB-ZDUSSCGKSA-N 0 212.248 BF 2.603 0 Anodyne ref BFAARN O=C(c1ccccc1)[C@@H](O)c1ccccc1 in-man endogenous Brc1cncc(Br)c1 ZINC000000032311 10/50/23/166105023 SOSPMXMEOFGPIM-UHFFFAOYSA-N 0 236.894 BF 2.607 0 Anodyne ref BFAARN Brc1cncc(Br)c1 in-vitro CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O ZINC000000035735 67/06/59/342670659 LLMLSUSAKZVFOA-NJGYIYPDSA-N -1 209.072 BF 2.662 0 Anodyne ref BFAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)[O-] in-vitro Cc1ccc(C(C)C)c(OCC(=O)O)c1 ZINC000000038390 45/18/96/178451896 MURZAHIYMVFXCF-UHFFFAOYSA-N -1 208.257 BF 2.582 0 Anodyne ref BFAARM Cc1ccc(C(C)C)c(OCC(=O)[O-])c1 Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC000000056505 67/20/09/342672009 UHNUHZHQLCGZDA-UHFFFAOYSA-N 0 212.296 BF 2.636 0 Clean ref BFCARN Nc1ccc(CCc2ccc(N)cc2)cc1 Cc1cc2occ(C=O)c(=O)c2cc1Cl ZINC000000057968 30/78/55/178307855 NULJNFUEBPQUNB-UHFFFAOYSA-N 0 222.627 BF 2.567 0 Anodyne ref BFAARN Cc1cc2occ(C=O)c(=O)c2cc1Cl Cc1cc(-c2ccc(C=O)o2)ccc1[N+](=O)[O-] ZINC000000062735 12/87/00/344128700 OBSLQEOBIXBPNL-UHFFFAOYSA-N 0 231.207 BF 2.976 0 Bother ref BFBARN Cc1cc(-c2ccc(C=O)o2)ccc1[N+](=O)[O-] Oc1ccc(Br)cc1Cl ZINC000000064966 26/69/94/183266994 VIBJPUXLAKVICD-UHFFFAOYSA-N -1 207.454 BF 2.808 1 Anodyne mid BFAAMM [O-]c1ccc(Br)cc1Cl in-vitro Oc1ccc(Br)cc1Cl ZINC000000064966 26/69/91/183266991 VIBJPUXLAKVICD-UHFFFAOYSA-N 0 207.454 BF 2.808 0 Anodyne ref BFAARN Oc1ccc(Br)cc1Cl in-vitro CCOC(=O)c1cc2cc(F)ccc2nc1C ZINC000000065143 29/35/11/170293511 KISFDCXMMHLADD-UHFFFAOYSA-N 0 233.242 BF 2.859 0 Anodyne ref BFAARN CCOC(=O)c1cc2cc(F)ccc2nc1C Brc1cnc2ccccc2c1 ZINC000000066081 10/51/59/166105159 ZGIKWINFUGEQEO-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cnc2ccccc2c1 in-vitro Cc1ccccc1C(=O)c1ccccc1C(=O)O ZINC000000066672 25/34/76/179253476 FYDVJEVAEUYKOB-UHFFFAOYSA-N -1 240.258 BF 2.924 0 Anodyne ref BFAARM Cc1ccccc1C(=O)c1ccccc1C(=O)[O-] O=C(O)CSc1ccc(Cl)cc1 ZINC000000075397 82/49/27/383824927 YPKLXLYGMAWXDO-UHFFFAOYSA-N -1 202.662 BF 2.517 0 Anodyne ref BFAARM O=C([O-])CSc1ccc(Cl)cc1 Brc1ccc2ncccc2c1 ZINC000000078186 09/90/50/166099050 IFIHYLCUKYCKRH-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1ccc2ncccc2c1 in-vitro Cc1noc(C)c1COc1ccc(C(=O)O)cc1 ZINC000000091803 82/30/31/383823031 FZZOXUGENAQGIJ-UHFFFAOYSA-N -1 247.25 BF 2.569 0 Anodyne ref BFAARM Cc1noc(C)c1COc1ccc(C(=O)[O-])cc1 CCOC(=O)c1c(C)oc2ccc(O)cc12 ZINC000000095509 28/82/07/170288207 KSNVFCJUBJUTPF-UHFFFAOYSA-N 0 220.224 BF 2.624 0 Anodyne ref BFAARN CCOC(=O)c1c(C)oc2ccc(O)cc12 CC(=O)c1ccc(Br)s1 ZINC000000096540 24/45/71/187244571 IGBZCOWXSCWSHO-UHFFFAOYSA-N 0 205.076 BF 2.713 0 Anodyne ref BFAARN CC(=O)c1ccc(Br)s1 Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000000105284 82/69/87/383826987 NZRHOWNFGASHMN-UHFFFAOYSA-N 0 248.289 BF 2.788 0 Anodyne ref BFAARN Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 Cc1ccc(-n2nc(C)c(C=O)c2Cl)cc1 ZINC000000106374 34/88/21/178348821 KQWYKJSWCFJJFS-UHFFFAOYSA-N 0 234.686 BF 2.955 0 Anodyne ref BFAARN Cc1ccc(-n2nc(C)c(C=O)c2Cl)cc1 N#Cc1sc2nc3c(cc2c1N)CCCC3 ZINC000000107777 17/83/10/181178310 ZDJDVRCSNUJIQQ-UHFFFAOYSA-N 0 229.308 BF 2.629 0 Mild ref BFEARN N#Cc1sc2nc3c(cc2c1N)CCCC3 O[C@H]1CCSc2ccc(Cl)cc21 ZINC000000107924 24/14/58/183241458 KGOKMXKVFZSSOE-QMMMGPOBSA-N 0 200.69 BF 2.869 0 Anodyne ref BFAARN O[C@H]1CCSc2ccc(Cl)cc21 O[C@@H]1CCSc2ccc(Cl)cc21 ZINC000000107927 20/26/04/183202604 KGOKMXKVFZSSOE-MRVPVSSYSA-N 0 200.69 BF 2.869 0 Anodyne ref BFAARN O[C@@H]1CCSc2ccc(Cl)cc21 CCOC(=O)c1sc2cccc(F)c2c1N ZINC000000111034 31/08/33/170310833 NDCOPHDDFKYFJF-UHFFFAOYSA-N 0 239.271 BF 2.799 0 Anodyne ref BFAARN CCOC(=O)c1sc2cccc(F)c2c1N Cc1nc(-c2ccc(C#N)cc2)cs1 ZINC000000113846 60/60/85/388606085 FOKBMJMDQCPNJI-UHFFFAOYSA-N 0 200.266 BF 2.99 0 Mild ref BFEARN Cc1nc(-c2ccc(C#N)cc2)cs1 O=C(O)COc1ccc(-c2ccccc2)cc1 ZINC000000116651 82/94/53/383829453 UEXMWDXKHUIBSJ-UHFFFAOYSA-N -1 228.247 BF 2.817 0 Anodyne ref BFAARM O=C([O-])COc1ccc(-c2ccccc2)cc1 O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 ZINC000000120441 84/33/77/182843377 AJEAHBZZHSLIQP-UHFFFAOYSA-N 0 225.203 BF 2.806 0 Bother ref BFBARN O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000000124765 85/73/99/173857399 BTEVDFJXGLQUDS-UHFFFAOYSA-N 0 205.04 BF 2.78 0 Anodyne ref BFAARN COC(=O)c1cc(Cl)cc(Cl)c1 O=C(O)c1ccccc1C(=O)c1cccs1 ZINC000000126222 67/59/85/342675985 KPJANWLDEVDGEA-UHFFFAOYSA-N -1 232.26 BF 2.677 0 Anodyne ref BFAARM O=C([O-])c1ccccc1C(=O)c1cccs1 COc1ccc2cc(C(=O)O)ccc2c1 ZINC000000128920 22/41/09/175224109 YZBILXXOZFORFE-UHFFFAOYSA-N -1 202.209 BF 2.547 0 Anodyne ref BFAARM COc1ccc2cc(C(=O)[O-])ccc2c1 in-vitro Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000000129160 81/41/30/181814130 OPAKWVMMTCNRJQ-UHFFFAOYSA-N 0 241.316 BF 2.552 0 Anodyne ref BFAARN Nc1nnc(SCc2ccc(F)cc2)s1 O=C(O)c1cccnc1Sc1ccccc1 ZINC000000131924 58/45/41/182584541 MGIDOIDQQMOYTH-UHFFFAOYSA-N -1 231.276 BF 2.931 0 Anodyne ref BFAARM O=C([O-])c1cccnc1Sc1ccccc1 COc1cccc(NC(=O)C(C)(C)C)c1 ZINC000000133108 83/09/64/383830964 DAFHCFQPQMYDFI-UHFFFAOYSA-N 0 207.273 BF 2.68 0 Anodyne ref BFAARN COc1cccc(NC(=O)C(C)(C)C)c1 Oc1ccc(Cc2ccc(O)cc2)cc1 ZINC000000136152 27/23/37/183272337 PXKLMJQFEQBVLD-UHFFFAOYSA-N 0 200.237 BF 2.689 0 Anodyne ref BFAARN Oc1ccc(Cc2ccc(O)cc2)cc1 in-vitro biogenic Nc1ncc(Cc2ccccc2Cl)s1 ZINC000000137438 67/68/18/342676818 AZSAJPPZQCIVPK-UHFFFAOYSA-N 0 224.716 BF 2.97 0 Anodyne ref BFAARN Nc1ncc(Cc2ccccc2Cl)s1 CC(C)(C)c1nc(N)sc1Br ZINC000000140504 92/51/71/187925171 ACKLPWWFGUPXSM-UHFFFAOYSA-N 0 235.15 BF 2.785 0 Anodyne ref BFAARN CC(C)(C)c1nc(N)sc1Br CCOc1ccccc1-c1csc(N)n1 ZINC000000150885 83/41/55/383834155 OVOLGSRVNCMOCY-UHFFFAOYSA-N 0 220.297 BF 2.791 0 Anodyne ref BFAARN CCOc1ccccc1-c1csc(N)n1 Cc1cc(Br)cc(C)c1N ZINC000000152830 67/74/80/342677480 QGLAYJCJLHNIGJ-UHFFFAOYSA-N 0 200.079 BF 2.648 0 Anodyne ref BFAARN Cc1cc(Br)cc(C)c1N O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000155127 56/89/26/344568926 XUFDYUSOQQYQRL-UHFFFAOYSA-N -1 233.179 BF 2.553 0 Bother ref BFBARM O=C([O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1 in-vivo COC(=O)C(c1ccccc1)c1ccccc1 ZINC000000155335 67/77/31/342677731 AORIUCNKPVHMTN-UHFFFAOYSA-N 0 226.275 BF 2.992 0 Anodyne ref BFAARN COC(=O)C(c1ccccc1)c1ccccc1 O=C(O)CCc1cccc2ccccc12 ZINC000000155621 61/82/51/359618251 PRLKVVMRQFFIOQ-UHFFFAOYSA-N -1 200.237 BF 2.857 0 Anodyne ref BFAARM O=C([O-])CCc1cccc2ccccc12 COc1ccc([C@H](O)c2ccccc2)cc1 ZINC000000156185 19/38/88/175193888 BEGZWXVLBIZFKQ-CQSZACIVSA-N 0 214.264 BF 2.777 0 Anodyne ref BFAARN COc1ccc([C@H](O)c2ccccc2)cc1 COc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000000156186 83/68/45/383836845 BEGZWXVLBIZFKQ-AWEZNQCLSA-N 0 214.264 BF 2.777 0 Anodyne ref BFAARN COc1ccc([C@@H](O)c2ccccc2)cc1 C[C@](O)(C(=O)c1ccccc1)c1ccccc1 ZINC000000157102 83/66/56/383836656 DIVXVZXROTWKIH-OAHLLOKOSA-N 0 226.275 BF 2.777 0 Anodyne ref BFAARN C[C@](O)(C(=O)c1ccccc1)c1ccccc1 C[C@@](O)(C(=O)c1ccccc1)c1ccccc1 ZINC000000157103 51/56/74/176515674 DIVXVZXROTWKIH-HNNXBMFYSA-N 0 226.275 BF 2.777 0 Anodyne ref BFAARN C[C@@](O)(C(=O)c1ccccc1)c1ccccc1 O=C(O)c1ccccc1C(=O)c1ccccc1 ZINC000000157193 58/11/42/182581142 FGTYTUFKXYPTML-UHFFFAOYSA-N -1 226.231 BF 2.616 0 Anodyne ref BFAARM O=C([O-])c1ccccc1C(=O)c1ccccc1 Brc1cncc2ccccc12 ZINC000000157206 10/63/72/166106372 SCRBSGZBTHKAHU-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cncc2ccccc12 in-vitro Brc1cccc2cnccc12 ZINC000000158610 10/10/20/166101020 CYJZJGYYTFQQBY-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cccc2cnccc12 in-vitro Cc1oc(-c2ccccc2)cc1C(=O)O ZINC000000158808 67/81/11/342678111 VLMNACSEESRUAK-UHFFFAOYSA-N -1 202.209 BF 2.953 0 Anodyne ref BFAARM Cc1oc(-c2ccccc2)cc1C(=O)[O-] in-vitro ClCc1nccn1Cc1ccccc1 ZINC000000161482 17/76/01/560177601 VDIVGSUHQVOULM-UHFFFAOYSA-N 1 206.676 BF 2.67 2 Reactive low BFGALO ClCc1[nH+]ccn1Cc1ccccc1 in-vitro ClCc1nccn1Cc1ccccc1 ZINC000000161482 17/75/99/560177599 VDIVGSUHQVOULM-UHFFFAOYSA-N 0 206.676 BF 2.67 0 Reactive ref BFGARN ClCc1nccn1Cc1ccccc1 in-vitro C[C@](C#N)(Nc1ccccc1)c1ccncc1 ZINC000000163512 44/07/40/177440740 KENMTKQYDZUVPZ-CQSZACIVSA-N 0 223.279 BF 2.932 0 Mild ref BFEARN C[C@](C#N)(Nc1ccccc1)c1ccncc1 C[C@@](C#N)(Nc1ccccc1)c1ccncc1 ZINC000000163516 67/87/41/342678741 KENMTKQYDZUVPZ-AWEZNQCLSA-N 0 223.279 BF 2.932 0 Mild ref BFEARN C[C@@](C#N)(Nc1ccccc1)c1ccncc1 C[C@](C#N)(Nc1ccccc1)c1cccnc1 ZINC000000163534 44/06/35/177440635 HQAJLDUHPSSFDV-CQSZACIVSA-N 0 223.279 BF 2.932 0 Mild ref BFEARN C[C@](C#N)(Nc1ccccc1)c1cccnc1 C[C@@](C#N)(Nc1ccccc1)c1cccnc1 ZINC000000163538 67/86/45/342678645 HQAJLDUHPSSFDV-AWEZNQCLSA-N 0 223.279 BF 2.932 0 Mild ref BFEARN C[C@@](C#N)(Nc1ccccc1)c1cccnc1 O=[N+]([O-])c1cccnc1Sc1ccccn1 ZINC000000166640 67/87/23/342678723 OSPAXJFFIAJUBQ-UHFFFAOYSA-N 0 233.252 BF 2.536 0 Bother ref BFBARN O=[N+]([O-])c1cccnc1Sc1ccccn1 CCOC(=O)c1cc2cc(N)ccc2s1 ZINC000000170453 29/39/02/170293902 CHFISKGSWVIUIX-UHFFFAOYSA-N 0 221.281 BF 2.66 0 Anodyne ref BFAARN CCOC(=O)c1cc2cc(N)ccc2s1 O=[S@](Cc1ccccc1)c1ccccc1 ZINC000000173124 67/92/48/342679248 FBPGAWABXWMRAR-HNNXBMFYSA-N 0 216.305 BF 2.994 0 Anodyne ref BFAARN O=[S@](Cc1ccccc1)c1ccccc1 CC(C)(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] ZINC000000173340 59/22/99/344592299 QIHHYQWNYKOHEV-UHFFFAOYSA-N -1 223.228 BF 2.591 0 Bother ref BFBARM CC(C)(C)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] Nc1nnc(CSCc2ccccc2)s1 ZINC000000183408 84/28/75/383842875 JCGQNFWTTJESBB-UHFFFAOYSA-N 0 237.353 BF 2.554 0 Anodyne ref BFAARN Nc1nnc(CSCc2ccccc2)s1 CC[C@H]1CCc2c(sc(N)c2C(=O)OC)C1 ZINC000000184333 67/94/18/342679418 OAGCBMZNJLDSNV-ZETCQYMHSA-N 0 239.34 BF 2.632 0 Anodyne ref BFAARN CC[C@H]1CCc2c(sc(N)c2C(=O)OC)C1 CC[C@@H]1CCc2c(sc(N)c2C(=O)OC)C1 ZINC000000184336 06/09/64/171060964 OAGCBMZNJLDSNV-SSDOTTSWSA-N 0 239.34 BF 2.632 0 Anodyne ref BFAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)OC)C1 CCOC(=O)c1oc2cccc(O)c2c1C ZINC000000195162 30/97/85/170309785 NBTXBAOGAXOKEV-UHFFFAOYSA-N -1 220.224 BF 2.624 3 Anodyne high BFAAHM CCOC(=O)c1oc2cccc([O-])c2c1C CCOC(=O)c1oc2cccc(O)c2c1C ZINC000000195162 30/97/84/170309784 NBTXBAOGAXOKEV-UHFFFAOYSA-N 0 220.224 BF 2.624 0 Anodyne ref BFAARN CCOC(=O)c1oc2cccc(O)c2c1C CCOC(=O)c1c(NC(C)=O)sc(C)c1C ZINC000000223077 28/90/25/170289025 ANBPVZZUAZWQHR-UHFFFAOYSA-N 0 241.312 BF 2.5 0 Anodyne ref BFAARN CCOC(=O)c1c(NC(C)=O)sc(C)c1C CCSc1sc([N+](=O)[O-])cc1C=O ZINC000000223840 64/58/32/344645832 WGPDGSMOEMSENJ-UHFFFAOYSA-N 0 217.271 BF 2.581 0 Bother ref BFBARN CCSc1sc([N+](=O)[O-])cc1C=O Nc1ccccc1NC(=O)c1ccccc1 ZINC000000225957 68/06/76/342680676 RFDVMOUXHKTCDO-UHFFFAOYSA-N 0 212.252 BF 2.521 0 Anodyne ref BFAARN Nc1ccccc1NC(=O)c1ccccc1 in-vivo O=C(c1ccccc1)[C@H](O)c1ccccc1 ZINC000000236100 68/08/86/342680886 ISAOCJYIOMOJEB-CYBMUJFWSA-N 0 212.248 BF 2.603 0 Anodyne ref BFAARN O=C(c1ccccc1)[C@H](O)c1ccccc1 in-man endogenous O=C(O)CCC(=O)c1cccc2ccccc12 ZINC000000236510 84/51/39/383845139 YNEXYDHOGAIPHO-UHFFFAOYSA-N -1 228.247 BF 2.887 0 Anodyne ref BFAARM O=C([O-])CCC(=O)c1cccc2ccccc12 in-vitro CCSc1nc2c(cc1C#N)CCC2 ZINC000000242364 37/30/83/369373083 VTXRXTFTJSGMMK-UHFFFAOYSA-N 0 204.298 BF 2.554 0 Mild ref BFEARN CCSc1nc2c(cc1C#N)CCC2 Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O ZINC000000256143 07/02/76/178070276 WNTGYJSOUMFZEP-ZETCQYMHSA-N -1 214.648 BF 2.5 0 Anodyne ref BFAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] in-vitro Cc1cc(Cl)ccc1O[C@H](C)C(=O)O ZINC000000256144 07/00/01/178070001 WNTGYJSOUMFZEP-SSDOTTSWSA-N -1 214.648 BF 2.5 0 Anodyne ref BFAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)[O-] in-vitro O=C(O)/C=C/c1cccc(Br)c1 ZINC000000266197 84/88/30/383848830 YEMUSDCFQUBPAL-SNAWJCMRSA-N -1 227.057 BF 2.547 0 Anodyne ref BFAARM O=C([O-])/C=C/c1cccc(Br)c1 Fc1ccc(CNCc2cccnc2)cc1 ZINC000000266922 68/16/34/342681634 FALPYPALLCTAIS-UHFFFAOYSA-N 0 216.259 BF 2.511 1 Anodyne mid BFAAMN Fc1ccc(CNCc2cccnc2)cc1 Fc1ccc(CNCc2cccnc2)cc1 ZINC000000266922 68/16/32/342681632 FALPYPALLCTAIS-UHFFFAOYSA-N 1 216.259 BF 2.511 0 Anodyne ref BFAARO Fc1ccc(C[NH2+]Cc2cccnc2)cc1 Cc1ccc(C)n1Cc1ccc(C(=O)O)cc1 ZINC000000267007 68/16/26/342681626 DKSYSLOSBLCHEL-UHFFFAOYSA-N -1 229.279 BF 2.851 0 Clean ref BFCARM Cc1ccc(C)n1Cc1ccc(C(=O)[O-])cc1 COc1ccc(N)cc1-n1c(C)ccc1C ZINC000000267017 13/79/06/175137906 VUEBXYJBULSCQG-UHFFFAOYSA-N 0 216.284 BF 2.685 0 Clean ref BFCARN COc1ccc(N)cc1-n1c(C)ccc1C O=C(O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000000267942 68/19/39/342681939 YTRNSQPXEDGWMR-CQSZACIVSA-N -1 234.295 BF 2.539 0 Anodyne ref BFAARM O=C([O-])[C@@](O)(c1ccccc1)C1CCCCC1 in-vitro O=C(O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000000267944 68/19/40/342681940 YTRNSQPXEDGWMR-AWEZNQCLSA-N -1 234.295 BF 2.539 0 Anodyne ref BFAARM O=C([O-])[C@](O)(c1ccccc1)C1CCCCC1 in-vitro CC(=O)Nc1ccc(C)cc1Br ZINC000000271044 09/94/19/188099419 UUDGTWKIIUEVJD-UHFFFAOYSA-N 0 228.089 BF 2.716 0 Anodyne ref BFAARN CC(=O)Nc1ccc(C)cc1Br COc1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000000290993 14/77/34/175147734 JJKVMNNUINFIRK-UHFFFAOYSA-N 0 242.278 BF 2.53 0 Anodyne ref BFAARN COc1ccc(NC(=O)c2ccc(N)cc2)cc1 COc1cc(-c2ccc(N)cc2OC)ccc1N ZINC000000299396 68/25/87/342682587 PLFGCBZJCDMIGZ-UHFFFAOYSA-N 0 244.294 BF 2.535 0 Anodyne ref BFAARN COc1cc(-c2ccc(N)cc2OC)ccc1N S=C(c1ccccc1)N1CCCCC1 ZINC000000306129 31/28/30/183312830 VAKVXOSNJMACTA-UHFFFAOYSA-N 0 205.326 BF 2.848 0 Anodyne ref BFAARN S=C(c1ccccc1)N1CCCCC1 O=Cc1nc2ccccc2n1Cc1ccccc1 ZINC000000308157 85/36/88/383853688 FLSACHQTKKDWED-UHFFFAOYSA-N 0 236.274 BF 2.897 0 Anodyne ref BFAARN O=Cc1nc2ccccc2n1Cc1ccccc1 Cc1cc(C=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000000308842 68/28/73/342682873 QPFVKFZJNJFLCL-UHFFFAOYSA-N 0 243.262 BF 2.635 0 Clean ref BFCARN Cc1cc(C=O)c(C)n1-c1ccc2c(c1)OCO2 O=Cc1ccc(OC(=O)c2ccccc2F)cc1 ZINC000000312722 86/85/91/182868591 HQYDUKQWCQKHKR-UHFFFAOYSA-N 0 244.221 BF 2.857 0 Anodyne ref BFAARN O=Cc1ccc(OC(=O)c2ccccc2F)cc1 O=Cc1ccc(OC(=O)c2cccc(F)c2)cc1 ZINC000000319740 85/30/67/383853067 RBSATZHUGWVUOQ-UHFFFAOYSA-N 0 244.221 BF 2.857 0 Anodyne ref BFAARN O=Cc1ccc(OC(=O)c2cccc(F)c2)cc1 COc1ccc2sc(C(=O)O)c(C)c2c1 ZINC000000329979 23/26/77/175232677 HQORKYGLRMIEKI-UHFFFAOYSA-N -1 222.265 BF 2.917 0 Anodyne ref BFAARM COc1ccc2sc(C(=O)[O-])c(C)c2c1 CCOC(=O)c1sc(S)c(C(C)=O)c1C ZINC000000329980 31/04/26/170310426 ZCOCWDLJBQEHKC-UHFFFAOYSA-N -1 244.337 BF 2.725 3 Anodyne high BFAAHM CCOC(=O)c1sc([S-])c(C(C)=O)c1C CCOC(=O)c1sc(S)c(C(C)=O)c1C ZINC000000329980 31/04/23/170310423 ZCOCWDLJBQEHKC-UHFFFAOYSA-N 0 244.337 BF 2.725 0 Anodyne ref BFAARN CCOC(=O)C1SC(=S)C(C(C)=O)=C1C CCOC(=O)c1cc(C#N)c(SC)s1 ZINC000000329985 29/04/92/170290492 UOHGLSFLWKHJKB-UHFFFAOYSA-N 0 227.31 BF 2.518 0 Mild ref BFEARN CCOC(=O)c1cc(C#N)c(SC)s1 [O-]/[N+](=C/c1ccc2c(c1)OCO2)c1ccccc1 ZINC000000330041 09/98/86/188099886 ZYMPIMWKBKPKIX-OQLLNIDSSA-N 1 241.246 BF 2.676 0 Mild ref BFEARO O=[N+](Cc1ccc2c(c1)OCO2)c1ccccc1 O=C(O)C[C@@H]1Cc2cccc3cccc1c23 ZINC000000330085 85/34/51/383853451 SPKBPOIDADRUPI-NSHDSACASA-N -1 212.248 BF 2.954 0 Anodyne ref BFAARM O=C([O-])C[C@@H]1Cc2cccc3cccc1c23 O=C(O)C[C@H]1Cc2cccc3cccc1c23 ZINC000000330086 85/29/39/383852939 SPKBPOIDADRUPI-LLVKDONJSA-N -1 212.248 BF 2.954 0 Anodyne ref BFAARM O=C([O-])C[C@H]1Cc2cccc3cccc1c23 CSC(=S=O)c1cccc2ccccc12 ZINC000000330098 44/21/75/175442175 GJLUUUKLQMUNNT-UHFFFAOYSA-N 0 234.345 BF 2.894 0 Anodyne ref BFAARN CSC(=S=O)c1cccc2ccccc12 COC(=O)/C=C/c1ccc(Br)cc1 ZINC000000330128 49/61/02/173496102 MFKOGXVHZUSUAF-QPJJXVBHSA-N 0 241.084 BF 2.635 0 Anodyne ref BFAARN COC(=O)/C=C/c1ccc(Br)cc1 CN(C)c1ccc(Br)cc1 ZINC000000330697 68/32/93/342683293 XYZWMVYYUIMRIZ-UHFFFAOYSA-N 0 200.079 BF 2.515 0 Anodyne ref BFAARN CN(C)c1ccc(Br)cc1 Oc1cccc(OCc2ccccc2)c1 ZINC000000330715 29/31/73/183293173 FOTVZLOJAIEAOY-UHFFFAOYSA-N 0 200.237 BF 2.971 0 Anodyne ref BFAARN Oc1cccc(OCc2ccccc2)c1 Brc1cccnc1Br ZINC000000330773 10/33/45/166103345 SLMHHOVQRSSRCV-UHFFFAOYSA-N 0 236.894 BF 2.607 0 Anodyne ref BFAARN Brc1cccnc1Br Brc1ccnc(Br)c1 ZINC000000330775 10/35/53/166103553 PCMMSLVJMKQWMQ-UHFFFAOYSA-N 0 236.894 BF 2.607 0 Anodyne ref BFAARN Brc1ccnc(Br)c1 Brc1ccncc1Br ZINC000000330777 10/36/09/166103609 ZFZWZGANFCWADD-UHFFFAOYSA-N 0 236.894 BF 2.607 0 Anodyne ref BFAARN Brc1ccncc1Br