O=Cc1c(Cl)ccc(Cl)c1Cl ZINC000000122709 85/82/71/182858271 AURSMWWOMOVHBM-UHFFFAOYSA-N 0 209.459 BG 3.459 0 Anodyne ref BGAARN O=Cc1c(Cl)ccc(Cl)c1Cl Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000122894 67/57/30/342675730 WHVJDKRJPAKQIO-UHFFFAOYSA-N 0 210.236 BG 3.077 0 Anodyne ref BGAARN Nc1cccc(-c2nc3ccccc3o2)c1 Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000000122960 67/57/96/342675796 XZYQBYQGHHGXBC-UHFFFAOYSA-N 0 210.236 BG 3.077 0 Anodyne ref BGAARN Nc1ccc(-c2nc3ccccc3o2)cc1 N#Cc1c(C(F)(F)F)cc(Cl)nc1Cl ZINC000000163194 07/27/44/181072744 WRXXBTBGBXYHSG-UHFFFAOYSA-N 0 240.999 BG 3.279 0 Mild ref BGEARN N#Cc1c(C(F)(F)F)cc(Cl)nc1Cl Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000000198482 68/00/46/342680046 BGPSLCKBFGPVES-UHFFFAOYSA-N 0 243.697 BG 3.466 0 Anodyne ref BGAARN Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 Cc1ccccc1-n1nc(C(C)(C)C)cc1N ZINC000000252709 24/24/23/179242423 SNMGAKOWUHTEKD-UHFFFAOYSA-N 0 229.327 BG 3.06 0 Anodyne ref BGAARN Cc1ccccc1-n1nc(C(C)(C)C)cc1N CC(C)(C)c1cc(N)n(-c2ccc(Cl)cc2)n1 ZINC000000252719 27/25/04/188272504 CGBTZABQTSWFJF-UHFFFAOYSA-N 0 249.745 BG 3.405 0 Anodyne ref BGAARN CC(C)(C)c1cc(N)n(-c2ccc(Cl)cc2)n1 Cc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1 ZINC000000312358 85/42/06/383854206 BQAHOIQJVNOZKN-UHFFFAOYSA-N 0 223.279 BG 3.121 1 Anodyne mid BGAAMN Cc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1 Cc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1 ZINC000000312358 85/42/00/383854200 BQAHOIQJVNOZKN-UHFFFAOYSA-N 0 223.279 BG 3.121 0 Anodyne ref BGAARN Cc1ccc2[nH]c(-c3ccc(N)cc3)nc2c1 CCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000399889 60/88/74/386608874 YMOQFMYBDGVJKE-UHFFFAOYSA-N 0 246.331 BG 3.082 0 Anodyne ref BGAARN CCc1ccc(S(=O)(=O)c2ccccc2)cc1 O=C(O)c1c(-n2cccc2)sc2c1CCCC2 ZINC000000497565 68/88/98/342688898 PQZRKVPZZLXACN-UHFFFAOYSA-N -1 247.319 BG 3.116 0 Anodyne ref BGAARM O=C([O-])c1c(-n2cccc2)sc2c1CCCC2 O=C(O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000000575364 69/04/00/342690400 IRGZUAFLKNHSLJ-UHFFFAOYSA-N -1 246.237 BG 3.103 0 Anodyne ref BGAARM O=C([O-])c1cccc(OCc2ccc(F)cc2)c1 Cc1cccc(-n2nc(C(C)(C)C)cc2N)c1 ZINC000002527257 00/09/90/179000990 YDYDGSYHOOCUPO-UHFFFAOYSA-N 0 229.327 BG 3.06 0 Anodyne ref BGAARN Cc1cccc(-n2nc(C(C)(C)C)cc2N)c1 Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 ZINC000002527276 34/87/81/178348781 ITHNHEWXIBNEDG-UHFFFAOYSA-N 0 229.327 BG 3.06 0 Anodyne ref BGAARN Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 CC(C)(C)c1cc(N)n(-c2ccccc2Cl)n1 ZINC000002527284 24/63/02/187246302 AHLRDDKINAAAJO-UHFFFAOYSA-N 0 249.745 BG 3.405 0 Anodyne ref BGAARN CC(C)(C)c1cc(N)n(-c2ccccc2Cl)n1 CC(C)(C)c1cc(N)n(-c2cccc(Cl)c2)n1 ZINC000002527285 45/64/29/188456429 IWCLOZVCLBLBQX-UHFFFAOYSA-N 0 249.745 BG 3.405 0 Anodyne ref BGAARN CC(C)(C)c1cc(N)n(-c2cccc(Cl)c2)n1 CCCC[C@@H](CC)CNCc1ccccn1 ZINC000002557985 72/41/12/342724112 NXQKSYDDMDZBNG-CYBMUJFWSA-N 1 220.36 BG 3.388 0 Anodyne ref BGAARO CCCC[C@@H](CC)C[NH2+]Cc1ccccn1 CCCC[C@H](CC)CNCc1ccccn1 ZINC000003127707 99/88/50/168998850 NXQKSYDDMDZBNG-ZDUSSCGKSA-N 1 220.36 BG 3.388 0 Anodyne ref BGAARO CCCC[C@H](CC)C[NH2+]Cc1ccccn1 CCCOc1ccc(C(C)=O)cc1OCCC ZINC000003282568 31/77/23/169317723 NBTJHXNUCAAKDN-UHFFFAOYSA-N 0 236.311 BG 3.467 0 Anodyne ref BGAARN CCCOc1ccc(C(C)=O)cc1OCCC Nc1c(-c2ccccc2)[nH]c2ccccc12 ZINC000003844886 73/81/26/342738126 XGKAJJZDQGRYJI-UHFFFAOYSA-N 0 208.264 BG 3.417 0 Anodyne ref BGAARN Nc1c(-c2ccccc2)[nH]c2ccccc12 O=C1CCCC[C@H]1c1nccc2ccccc12 ZINC000004137071 74/30/77/342743077 KVPQKEWJYNTYKV-CYBMUJFWSA-N 0 225.291 BG 3.462 0 Anodyne ref BGAARN O=C1CCCC[C@H]1c1nccc2ccccc12 O=C1CCCC[C@@H]1c1nccc2ccccc12 ZINC000004137073 74/31/17/342743117 KVPQKEWJYNTYKV-ZDUSSCGKSA-N 0 225.291 BG 3.462 0 Anodyne ref BGAARN O=C1CCCC[C@@H]1c1nccc2ccccc12 Cc1csc2c(Cl)nc(Cl)nc12 ZINC000004243135 79/81/82/179798182 WUXYWALKGQDXFI-UHFFFAOYSA-N 0 219.096 BG 3.307 0 Anodyne ref BGAARN Cc1csc2c(Cl)nc(Cl)nc12 CCN(CC)P(CC)N(CC)CC ZINC000005848607 49/95/96/259499596 UPPMICTXNFKBNF-UHFFFAOYSA-N 0 204.298 BG 3.002 3 Anodyne high BGABHN CCN(CC)P(CC)N(CC)CC CCN(CC)P(CC)N(CC)CC ZINC000005848607 49/95/93/259499593 UPPMICTXNFKBNF-UHFFFAOYSA-N 1 204.298 BG 3.002 0 Anodyne ref BGABRO CCN(CC)[PH+](CC)N(CC)CC c1ccc(SCC[C@@H]2CCCCN2)cc1 ZINC000008039529 79/57/86/342795786 YAHRGRFZDYLQAG-LBPRGKRZSA-N 1 221.369 BG 3.311 0 Anodyne ref BGAARO c1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 c1ccc(SCC[C@H]2CCCCN2)cc1 ZINC000008039532 10/44/60/188104460 YAHRGRFZDYLQAG-GFCCVEGCSA-N 1 221.369 BG 3.311 0 Anodyne ref BGAARO c1ccc(SCC[C@H]2CCCC[NH2+]2)cc1 Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000008655326 80/17/94/342801794 DWGWNNCHJPKZNC-UHFFFAOYSA-N 0 210.689 BG 3.046 0 Anodyne ref BGAARN Nc1nc(-c2ccc(Cl)cc2)cs1 O=[N+]([O-])c1cc(OCc2ccccc2)ccc1F ZINC000008764162 88/52/79/372885279 FWBDUAPLKFBELK-UHFFFAOYSA-N 0 247.225 BG 3.313 0 Bother ref BGBARN O=[N+]([O-])c1cc(OCc2ccccc2)ccc1F Nc1ccc(Sc2ccncc2)c(Cl)c1 ZINC000008764193 48/86/77/384488677 NXZPVOOOCBHYPV-UHFFFAOYSA-N 0 236.727 BG 3.468 0 Anodyne ref BGABRN Nc1ccc(Sc2ccncc2)c(Cl)c1 O=C1CCc2cc(OCc3ccccc3)ccc21 ZINC000011919368 75/60/57/182756057 LYTKODVZMLEVSA-UHFFFAOYSA-N 0 238.286 BG 3.395 0 Anodyne ref BGABRN O=C1CCc2cc(OCc3ccccc3)ccc21 Cc1ccc(C)n1-c1cc(C(C)(C)C)n[nH]1 ZINC000011919403 81/26/18/345812618 OEMSXMRZOUJFOH-UHFFFAOYSA-N 0 217.316 BG 3.115 0 Clean ref BGCBRN Cc1ccc(C)n1-c1cc(C(C)(C)C)n[nH]1 Cc1ccc(F)cc1-n1nc(C(C)(C)C)cc1N ZINC000011919424 79/21/17/370792117 VOBIJQHXYBWJRT-UHFFFAOYSA-N 0 247.317 BG 3.2 0 Anodyne ref BGABRN Cc1ccc(F)cc1-n1nc(C(C)(C)C)cc1N Nc1ccc(Oc2ccnc(Cl)c2)c(F)c1 ZINC000011919426 36/79/63/356367963 XWXXTHOWEMYGQC-UHFFFAOYSA-N 0 238.649 BG 3.249 0 Anodyne ref BGAARN Nc1ccc(Oc2ccnc(Cl)c2)c(F)c1 Cc1csc2nc(Cl)nc(Cl)c12 ZINC000011919431 84/45/92/342844592 OIJVRHXVISHQPS-UHFFFAOYSA-N 0 219.096 BG 3.307 0 Anodyne ref BGAARN Cc1csc2nc(Cl)nc(Cl)c12 FC(F)(F)c1ccc(C2=CCNCC2)cc1 ZINC000011919447 30/15/89/384301589 GJTLANBQTZXEKL-UHFFFAOYSA-N 1 227.229 BG 3.082 0 Anodyne ref BGAARO FC(F)(F)c1ccc(C2=CC[NH2+]CC2)cc1 CC(C)Oc1ccc2ccccc2c1CN ZINC000019702698 30/35/45/167303545 SFSIQOGCFKWXBV-UHFFFAOYSA-N 0 215.296 BG 3.086 3 Anodyne high BGAAHN CC(C)Oc1ccc2ccccc2c1CN CC(C)Oc1ccc2ccccc2c1CN ZINC000019702698 30/35/40/167303540 SFSIQOGCFKWXBV-UHFFFAOYSA-N 1 215.296 BG 3.086 0 Anodyne ref BGAARO CC(C)Oc1ccc2ccccc2c1C[NH3+] CCOC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000019770063 28/65/61/170286561 CTPGDLJMDLQJPQ-UHFFFAOYSA-N 0 241.649 BG 3.137 0 Anodyne ref BGAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1Cl O=C(O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000019770076 53/82/26/384538226 ZCIAFCCXZJTKSS-UHFFFAOYSA-N -1 230.05 BG 3.173 0 Anodyne ref BGAARM O=C([O-])c1[nH]c2ccc(Cl)cc2c1Cl CC(=S)Nc1c(F)c(F)cc(F)c1F ZINC000021989471 65/57/53/384655753 CHFRYOBPXAFTKF-UHFFFAOYSA-N 0 223.194 BG 3.002 0 Anodyne ref BGABRN CC(=S)Nc1c(F)c(F)cc(F)c1F c1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000024737660 40/21/30/183402130 YRPAMRAMUWHMQL-MRXNPFEDSA-N 1 238.334 BG 3.071 1 Anodyne mid BGABMO c1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 c1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000024737660 40/21/27/183402127 YRPAMRAMUWHMQL-MRXNPFEDSA-N 1 238.334 BG 3.071 0 Anodyne ref BGABRO c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 c1ccc(CN2CC[C@H](c3ccncc3)C2)cc1 ZINC000024737666 83/17/47/384831747 YRPAMRAMUWHMQL-INIZCTEOSA-N 1 238.334 BG 3.071 1 Anodyne mid BGABMO c1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 c1ccc(CN2CC[C@H](c3ccncc3)C2)cc1 ZINC000024737666 83/17/35/384831735 YRPAMRAMUWHMQL-INIZCTEOSA-N 1 238.334 BG 3.071 0 Anodyne ref BGABRO c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 C=CCc1ccc(F)c(OC(F)F)c1 ZINC000026444311 05/61/77/192056177 QGAWXMUODPTMIA-UHFFFAOYSA-N 0 202.175 BG 3.156 0 Mild ref BGEBRN C=CCc1ccc(F)c(OC(F)F)c1 Cn1c(C(=O)O)c(Cl)c2cc(Cl)ccc21 ZINC000026461622 60/19/97/347601997 SNDOPPBYRWICAJ-UHFFFAOYSA-N -1 244.077 BG 3.183 0 Anodyne ref BGAARM Cn1c(C(=O)[O-])c(Cl)c2cc(Cl)ccc21 Cc1c(Br)cc(C#N)c(C)c1C ZINC000026506735 65/48/23/384654823 KNGKVDMTHGMPBX-UHFFFAOYSA-N 0 224.101 BG 3.246 0 Mild ref BGEBRN Cc1c(Br)cc(C#N)c(C)c1C Fc1ccc2nc(Cl)nc(Cl)c2c1 ZINC000026894509 88/79/54/384887954 VLPYLGGGYDUVJN-UHFFFAOYSA-N 0 217.03 BG 3.076 0 Anodyne ref BGAARN Fc1ccc2nc(Cl)nc(Cl)c2c1 CC(C)[C@@H]1C(=O)CCc2cc(F)ccc21 ZINC000034590404 44/57/54/385445754 DEGWMPOIXJTKLT-ZDUSSCGKSA-N 0 206.26 BG 3.081 0 Anodyne ref BGAARN CC(C)[C@@H]1C(=O)CCc2cc(F)ccc21 C[C@H](C(=O)Nc1cccc(N)c1)c1ccccc1 ZINC000044018818 81/97/75/385819775 INSVGECGPLUFCZ-NSHDSACASA-N 0 240.306 BG 3.011 0 Anodyne ref BGABRN C[C@H](C(=O)Nc1cccc(N)c1)c1ccccc1 C[C@@H](C(=O)Nc1cccc(N)c1)c1ccccc1 ZINC000044018820 82/07/84/385820784 INSVGECGPLUFCZ-LLVKDONJSA-N 0 240.306 BG 3.011 0 Anodyne ref BGABRN C[C@@H](C(=O)Nc1cccc(N)c1)c1ccccc1 CCCP(N(CC)CC)N(CC)CC ZINC000044018827 11/53/28/386115328 MNVXTSMOJAFSLX-UHFFFAOYSA-N 0 218.325 BG 3.392 3 Anodyne high BGABHN CCCP(N(CC)CC)N(CC)CC CCCP(N(CC)CC)N(CC)CC ZINC000044018827 11/53/18/386115318 MNVXTSMOJAFSLX-UHFFFAOYSA-N 1 218.325 BG 3.392 0 Anodyne ref BGABRO CCC[PH+](N(CC)CC)N(CC)CC O=C(O)c1cc(/C=C/c2ccccc2Cl)on1 ZINC000064875975 49/48/57/384494857 DFHAEEQYXLHSCB-AATRIKPKSA-N -1 249.653 BG 3.197 0 Anodyne ref BGABRM O=C([O-])c1cc(/C=C/c2ccccc2Cl)on1 O=C(O)c1cc(/C=C/c2ccc(Cl)cc2)on1 ZINC000064875977 55/21/85/182552185 IMLKVYBIZRFVPW-ZZXKWVIFSA-N -1 249.653 BG 3.197 0 Anodyne ref BGABRM O=C([O-])c1cc(/C=C/c2ccc(Cl)cc2)on1 c1ccc(Oc2ccc3c(c2)CCN3)cc1 ZINC000082595124 69/52/11/384695211 WAMPOZQMXFFTML-UHFFFAOYSA-N 0 211.264 BG 3.447 0 Anodyne ref BGABRN c1ccc(Oc2ccc3c(c2)CCN3)cc1 Nc1ccc(Oc2ccnc(Cl)c2)cc1 ZINC000096837485 48/02/83/384480283 RNWUHCOVYJVAMR-UHFFFAOYSA-N 0 220.659 BG 3.11 0 Clean ref BGCBRN Nc1ccc(Oc2ccnc(Cl)c2)cc1 C[Si](C)(C)[SiH]([Si](C)(C)C)[Si](C)(C)C ZINC000169743137 96/22/56/582962256 SQMFULTZZQBFBM-UHFFFAOYSA-N 0 248.667 BG 3.463 0 Unstable ref BGIARN C[Si](C)(C)[SiH]([Si](C)(C)C)[Si](C)(C)C CCc1nc(-c2ccc(O)c(O)c2C)cs1 ZINC000248103107 33/87/76/398338776 OKKHVJCMGCVWGU-UHFFFAOYSA-N 0 235.308 BG 3.092 0 Clean ref BGCBRN CCc1nc(-c2ccc(O)c(O)c2C)cs1 Cc1csc(-c2cnc(Cl)nc2Cl)n1 ZINC000585090173 54/20/47/384542047 CNOHPRMQHZVHML-UHFFFAOYSA-N 0 246.122 BG 3.215 0 Anodyne ref BGABRN Cc1csc(-c2cnc(Cl)nc2Cl)n1