CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 ZINC000000007601 66/97/04/342669704 NDAUXUAQIAJITI-LBPRGKRZSA-N 1 239.315 BD 1.306 0 Anodyne ref BDAARO CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 fda CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1 ZINC000000020230 08/37/24/491083724 NDAUXUAQIAJITI-GFCCVEGCSA-N 1 239.315 BD 1.306 0 Anodyne ref BDAARO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 fda CCOC(=O)c1c(N)sc2c1CCC2 ZINC000000035797 28/91/33/170289133 BOJXCJDYZJSPMZ-UHFFFAOYSA-N 0 211.286 BD 1.996 0 Anodyne ref BDAARN CCOC(=O)c1c(N)sc2c1CCC2 COC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000000056809 82/07/94/383820794 OPUUCOLVBDQWEY-UHFFFAOYSA-N 0 205.213 BD 1.963 0 Anodyne ref BDAARN COC(=O)c1cc2ccc(OC)cc2[nH]1 N#Cc1cnn(-c2ccc(F)cc2)c1N ZINC000000057696 70/82/73/591708273 SZEJYPAPBGNEMH-UHFFFAOYSA-N 0 202.192 BD 1.465 0 Mild ref BDEARN N#Cc1cnn(-c2ccc(F)cc2)c1N O=C1N[C@@H](c2ccncc2)Nc2ccccc21 ZINC000000065290 81/88/60/182818860 WHSLICPSSNGCOM-LBPRGKRZSA-N 0 225.251 BD 1.936 0 Anodyne ref BDAARN O=C1N[C@@H](c2ccncc2)Nc2ccccc21 O=C1N[C@H](c2ccncc2)Nc2ccccc21 ZINC000000065294 82/22/81/383822281 WHSLICPSSNGCOM-GFCCVEGCSA-N 0 225.251 BD 1.936 0 Anodyne ref BDAARN O=C1N[C@H](c2ccncc2)Nc2ccccc21 CC(C)(C)OC(=O)N1CCC(O)CC1 ZINC000000066271 67/23/68/342672368 PWQLFIKTGRINFF-UHFFFAOYSA-N 0 201.266 BD 1.378 0 Anodyne ref BDAARN CC(C)(C)OC(=O)N1CCC(O)CC1 O=C(O)COCc1nc2ccccc2[nH]1 ZINC000000070243 82/11/89/383821189 QQCDVGPTWGIYAK-UHFFFAOYSA-N -1 206.201 BD 1.164 0 Anodyne ref BDAARM O=C([O-])COCc1nc2ccccc2[nH]1 O=C1C=CC(=O)N1CCc1ccccc1 ZINC000000071274 67/26/44/342672644 YDGBGLKCFQULNS-UHFFFAOYSA-N 0 201.225 BD 1.154 0 Anodyne ref BDAARN O=C1C=CC(=O)N1CCc1ccccc1 CC(=O)N/C(=C/c1ccccc1)C(=O)O ZINC000000078599 61/54/68/384615468 XODAOBAZOQSFDS-JXMROGBWSA-N -1 205.213 BD 1.248 0 Anodyne ref BDAARM CC(=O)N/C(=C/c1ccccc1)C(=O)[O-] O=C(O)CCCN1C(=O)c2ccccc2C1=O ZINC000000080458 82/46/85/383824685 HMKSXJBFBVGLJJ-UHFFFAOYSA-N -1 233.223 BD 1.147 0 Anodyne ref BDAARM O=C([O-])CCCN1C(=O)c2ccccc2C1=O O=C(O)c1ccc(CN2CCOCC2)cc1 ZINC000000086693 67/38/81/342673881 QYBXZYYECZFQRX-UHFFFAOYSA-N 0 221.256 BD 1.217 1 Anodyne mid BDAAMN O=C([O-])c1ccc(C[NH+]2CCOCC2)cc1 O=C(O)c1ccc(CN2CCOCC2)cc1 ZINC000000086693 67/38/79/342673879 QYBXZYYECZFQRX-UHFFFAOYSA-N -1 221.256 BD 1.217 0 Anodyne ref BDAARM O=C([O-])c1ccc(CN2CCOCC2)cc1 O=C(O)Cn1c(=O)sc2ccccc21 ZINC000000088574 82/40/15/383824015 SXOCCTHWTPGZHT-UHFFFAOYSA-N -1 209.226 BD 1.148 0 Anodyne ref BDAARM O=C([O-])Cn1c(=O)sc2ccccc21 CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000000097536 82/78/34/383827834 ISGBKWSEHGAUNF-UHFFFAOYSA-N 0 215.208 BD 1.319 0 Anodyne ref BDAARN CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 O[C@H]1CSc2nc3ccccc3n2C1 ZINC000000115701 24/69/81/183246981 BLOJMWLHCBDQHM-SSDOTTSWSA-N 0 206.27 BD 1.503 0 Anodyne ref BDAARN O[C@H]1CSc2nc3ccccc3n2C1 O[C@@H]1CSc2nc3ccccc3n2C1 ZINC000000115706 21/21/87/183212187 BLOJMWLHCBDQHM-ZETCQYMHSA-N 0 206.27 BD 1.503 0 Anodyne ref BDAARN O[C@@H]1CSc2nc3ccccc3n2C1 Cc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2C ZINC000000121085 67/53/82/342675382 MTFWFBGIIMPBAE-UHFFFAOYSA-N 0 231.251 BD 1.854 2 Anodyne low BDAALN Cc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2C Cc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2C ZINC000000121085 67/53/81/342675381 MTFWFBGIIMPBAE-UHFFFAOYSA-N -1 231.251 BD 1.854 0 Anodyne ref BDAARM Cc1cc(C)c2c(c1)c(=O)c(C(=O)[O-])cn2C CCn1nc(C)c(Br)c1C(=O)O ZINC000000121429 24/17/21/172241721 CABAIQRHBLZKEG-UHFFFAOYSA-N -1 233.065 BD 1.672 0 Anodyne ref BDAARM CCn1nc(C)c(Br)c1C(=O)[O-] C[C@H](c1ccccc1)N1C[C@@H](C(=O)O)CC1=O ZINC000000128963 03/99/01/177039901 CFGKWSDAMXTRHE-KOLCDFICSA-N -1 233.267 BD 1.681 0 Anodyne ref BDAARM C[C@H](c1ccccc1)N1C[C@@H](C(=O)[O-])CC1=O C[C@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O ZINC000000128970 03/99/28/177039928 CFGKWSDAMXTRHE-MWLCHTKSSA-N -1 233.267 BD 1.681 0 Anodyne ref BDAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)[O-])CC1=O COC(=O)c1ccc(NC(N)=S)cc1 ZINC000000134304 83/37/06/383833706 GAHXSPNZIVGQMX-UHFFFAOYSA-N 0 210.258 BD 1.129 0 Anodyne ref BDAARN COC(=O)c1ccc(NC(N)=S)cc1 Nc1ccccc1C(=O)NCc1cccnc1 ZINC000000137143 67/68/26/342676826 VQCAHUSKECKWPX-UHFFFAOYSA-N 0 227.267 BD 1.594 0 Anodyne ref BDAARN Nc1ccccc1C(=O)NCc1cccnc1 COc1cc(CCN)c([N+](=O)[O-])cc1OC ZINC000000138203 55/88/35/344558835 XRCCQNXLMRHYBK-UHFFFAOYSA-N 1 226.232 BD 1.113 0 Bother ref BDBARO COc1cc(CC[NH3+])c([N+](=O)[O-])cc1OC O=C(O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000139537 67/65/73/342676573 XNROFTAJEGCDCT-NSHDSACASA-N 0 205.257 BD 1.736 1 Anodyne mid BDAAMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccccc1 in-vitro O=C(O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000139537 67/65/72/342676572 XNROFTAJEGCDCT-NSHDSACASA-N 0 205.257 BD 1.736 0 Anodyne ref BDAARN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1 in-vitro O=C(O)[C@H]1CCCN1Cc1ccccc1 ZINC000000139543 67/65/83/342676583 XNROFTAJEGCDCT-LLVKDONJSA-N 0 205.257 BD 1.736 1 Anodyne mid BDAAMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccccc1 O=C(O)[C@H]1CCCN1Cc1ccccc1 ZINC000000139543 67/65/82/342676582 XNROFTAJEGCDCT-LLVKDONJSA-N 0 205.257 BD 1.736 0 Anodyne ref BDAARN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccccc1 COC(=O)c1sc2ncccc2c1N ZINC000000149174 67/71/16/342677116 STCNNBXPNILVDE-UHFFFAOYSA-N 0 208.242 BD 1.665 0 Clean ref BDCARN COC(=O)c1sc2ncccc2c1N N#CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000000153541 24/43/68/187244368 HAQGVGPNKGGSMK-UHFFFAOYSA-N 0 215.661 BD 1.637 0 Mild ref BDEARN N#CCS(=O)(=O)c1ccc(Cl)cc1 COC(=O)c1cc(Br)ccc1N ZINC000000156417 83/67/77/383836777 QVNYNHCNNGKULA-UHFFFAOYSA-N 0 230.061 BD 1.818 0 Anodyne ref BDAARN COC(=O)c1cc(Br)ccc1N Cc1n[nH]c(C)c1I ZINC000000157367 82/62/42/179826242 MZZXIXHKDJNBJQ-UHFFFAOYSA-N 0 222.029 BD 1.631 0 Anodyne ref BDAARN Cc1n[nH]c(C)c1I COc1ccc(-n2ncc(C(=O)O)c2C)cc1 ZINC000000158477 04/49/93/175044993 JPFGKGZYCXLEGQ-UHFFFAOYSA-N -1 232.239 BD 1.888 0 Anodyne ref BDAARM COc1ccc(-n2ncc(C(=O)[O-])c2C)cc1 Cc1nn(-c2ccccc2)nc1C(=O)O ZINC000000158827 33/08/36/180330836 GQYQHAGPALBYDO-UHFFFAOYSA-N -1 203.201 BD 1.274 0 Anodyne ref BDAARM Cc1nn(-c2ccccc2)nc1C(=O)[O-] Cc1nc2ccc(C(=O)O)cc2nc1C ZINC000000159055 08/90/98/180089098 RCACNAWRFYUKLC-UHFFFAOYSA-N -1 202.213 BD 1.945 0 Anodyne ref BDAARM Cc1nc2ccc(C(=O)[O-])cc2nc1C Cc1nn(C)c(C(=O)O)c1Br ZINC000000161950 45/34/53/188453453 ZUEAEVZRYGUFPS-UHFFFAOYSA-N -1 219.038 BD 1.189 0 Anodyne ref BDAARM Cc1nn(C)c(C(=O)[O-])c1Br O=C(O)c1ccc(N2CCOCC2)cc1Cl ZINC000000168130 31/27/83/132312783 AJCOZBPUPGTLME-UHFFFAOYSA-N -1 241.674 BD 1.875 0 Anodyne ref BDAARM O=C([O-])c1ccc(N2CCOCC2)cc1Cl COC(=O)c1nc(N)sc1C(C)C ZINC000000168171 67/89/69/342678969 YEJDFNBFDCUMAG-UHFFFAOYSA-N 0 200.263 BD 1.635 0 Anodyne ref BDAARN COC(=O)c1nc(N)sc1C(C)C O=C(O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000000169108 31/29/26/132312926 DLQSEGIGDCETIS-UHFFFAOYSA-N -1 241.678 BD 1.431 0 Anodyne ref BDAARM O=C([O-])C1CCN(c2ccc(Cl)nn2)CC1 Nc1nonc1-c1nc2ccccc2[nH]1 ZINC000000172047 83/92/99/383839299 QEPDSNAEMKSMGN-UHFFFAOYSA-N 0 201.189 BD 1.195 0 Anodyne ref BDAARN Nc1nonc1-c1nc2ccccc2[nH]1 Nc1c(C(=O)O)cnn1-c1ccccc1 ZINC000000190751 67/98/26/342679826 BFMGSMOYBHOHGI-UHFFFAOYSA-N -1 203.201 BD 1.153 0 Anodyne ref BDAARM Nc1c(C(=O)[O-])cnn1-c1ccccc1 COc1ccccc1-c1nnc(N)s1 ZINC000000194552 31/19/67/175311967 FIAPYAFRFHBTLA-UHFFFAOYSA-N 0 207.258 BD 1.796 0 Anodyne ref BDAARN COc1ccccc1-c1nnc(N)s1 O=C(O)CCc1nc(-c2ccccc2F)no1 ZINC000000211877 84/53/47/383845347 OOHZXPIDNZNTAY-UHFFFAOYSA-N -1 236.202 BD 1.893 0 Anodyne ref BDAARM O=C([O-])CCc1nc(-c2ccccc2F)no1 Nc1nc2ccc(CC(=O)O)cc2s1 ZINC000000215291 68/04/36/342680436 NHWREWFNNXLTDT-UHFFFAOYSA-N -1 208.242 BD 1.506 0 Anodyne ref BDAARM Nc1nc2ccc(CC(=O)[O-])cc2s1 Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000000260952 74/23/95/181742395 UERJLRHNZVBNAN-UHFFFAOYSA-N 0 219.269 BD 1.978 0 Anodyne ref BDAARN Nc1cccc(C(=O)Nc2nccs2)c1 CC(=O)Nc1cccc(N2C(=O)C=CC2=O)c1 ZINC000000266414 68/16/12/342681612 UYCLQMPQVKMMJO-UHFFFAOYSA-N 0 230.223 BD 1.074 0 Anodyne ref BDAARN CC(=O)Nc1cccc(N2C(=O)C=CC2=O)c1 COc1ccc(CN2C[C@@H](C(=O)O)CC2=O)cc1 ZINC000000266703 27/26/26/188272626 GQWNIXGHJLCLCG-JTQLQIEISA-N -1 249.266 BD 1.128 0 Anodyne ref BDAARM COc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1 COc1ccc(CN2C[C@H](C(=O)O)CC2=O)cc1 ZINC000000266706 84/78/10/383847810 GQWNIXGHJLCLCG-SNVBAGLBSA-N -1 249.266 BD 1.128 0 Anodyne ref BDAARM COc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1 C[C@H]1CN(C=O)c2ccccc2NC1=O ZINC000000268892 24/22/58/177242258 FKIQEBMKCDEDBS-QMMMGPOBSA-N 0 204.229 BD 1.238 0 Anodyne ref BDAARN C[C@H]1CN(C=O)c2ccccc2NC1=O C[C@@H]1CN(C=O)c2ccccc2NC1=O ZINC000000268894 28/32/12/176283212 FKIQEBMKCDEDBS-MRVPVSSYSA-N 0 204.229 BD 1.238 0 Anodyne ref BDAARN C[C@@H]1CN(C=O)c2ccccc2NC1=O O=C(O)CSc1nnc(-c2ccccc2)o1 ZINC000000272820 85/10/84/383851084 VKPCKQCSWWCRFI-UHFFFAOYSA-N -1 236.252 BD 1.913 0 Anodyne ref BDAARM O=C([O-])CSc1nnc(-c2ccccc2)o1 Nc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000000277381 68/20/00/342682000 OFDWCWIFJWMZAS-UHFFFAOYSA-N 0 213.24 BD 1.916 0 Anodyne ref BDAARN Nc1ccc(C(=O)Nc2ccncc2)cc1 Cc1nc(NC(=O)CCC(=O)O)sc1C ZINC000000278016 00/70/92/180007092 JXKCUPZVQVCDTB-UHFFFAOYSA-N -1 228.273 BD 1.563 0 Anodyne ref BDAARM Cc1nc(NC(=O)CCC(=O)[O-])sc1C CN1CCC(NCCc2ccccc2)CC1 ZINC000000280637 68/20/12/342682012 ULQCWUQXLLZVEI-UHFFFAOYSA-N 2 218.344 BD 1.913 1 Anodyne mid BDAAMP C[NH+]1CCC([NH2+]CCc2ccccc2)CC1 CN1CCC(NCCc2ccccc2)CC1 ZINC000000280637 68/20/09/342682009 ULQCWUQXLLZVEI-UHFFFAOYSA-N 1 218.344 BD 1.913 0 Anodyne ref BDAARO CN1CCC([NH2+]CCc2ccccc2)CC1 Cc1cc(C)c2[nH]c(=O)c(C=O)cc2c1 ZINC000000287824 58/25/86/187582586 SGLNASSZZCFBTP-UHFFFAOYSA-N 0 201.225 BD 1.957 0 Anodyne ref BDAARN Cc1cc(C)c2[nH]c(=O)c(C=O)cc2c1 COC(=O)c1ccc(CN2CCCC2)o1 ZINC000000315188 85/31/21/383853121 HDGDSGGAXRHUMI-UHFFFAOYSA-N 0 209.245 BD 1.662 1 Anodyne mid BDAAMN COC(=O)c1ccc(CN2CCCC2)o1 COC(=O)c1ccc(CN2CCCC2)o1 ZINC000000315188 85/31/04/383853104 HDGDSGGAXRHUMI-UHFFFAOYSA-N 1 209.245 BD 1.662 0 Anodyne ref BDAARO COC(=O)c1ccc(C[NH+]2CCCC2)o1 CCOC(=O)c1cnc2cc(C)ccn2c1=O ZINC000000318492 30/23/29/170302329 BHAQEKYGTIQOGF-UHFFFAOYSA-N 0 232.239 BD 1.18 0 Anodyne ref BDAARN CCOC(=O)c1cnc2cc(C)ccn2c1=O Nc1cc(C(=O)O)ccc1N1CCCCC1 ZINC000000319715 31/33/87/132313387 DFGNBCGBUAHIPC-UHFFFAOYSA-N -1 220.272 BD 1.957 0 Anodyne ref BDAARM Nc1cc(C(=O)[O-])ccc1N1CCCCC1 Nc1nnc(COc2ccccc2)s1 ZINC000000322774 85/41/64/383854164 CLQBSPRBHILXIC-UHFFFAOYSA-N 0 207.258 BD 1.699 0 Anodyne ref BDAARN Nc1nnc(COc2ccccc2)s1 C[C@H](O)CCc1nc2ccc(N)cc2[nH]1 ZINC000000333227 68/35/75/342683575 PKDKOMSASKISIZ-ZETCQYMHSA-N 0 205.261 BD 1.458 3 Anodyne high BDAAHN C[C@H](O)CCc1nc2ccc(N)cc2[nH]1 C[C@H](O)CCc1nc2ccc(N)cc2[nH]1 ZINC000000333227 68/35/74/342683574 PKDKOMSASKISIZ-ZETCQYMHSA-N 0 205.261 BD 1.458 1 Anodyne mid BDAAMN C[C@H](O)CCc1nc2cc(N)ccc2[nH]1 C[C@H](O)CCc1nc2ccc(N)cc2[nH]1 ZINC000000333227 68/35/73/342683573 PKDKOMSASKISIZ-ZETCQYMHSA-N 1 205.261 BD 1.458 0 Anodyne ref BDAARO C[C@H](O)CCc1[nH]c2ccc(N)cc2[nH+]1 C[C@@H](O)CCc1nc2ccc(N)cc2[nH]1 ZINC000000333230 68/35/82/342683582 PKDKOMSASKISIZ-SSDOTTSWSA-N 0 205.261 BD 1.458 3 Anodyne high BDAAHN C[C@@H](O)CCc1nc2ccc(N)cc2[nH]1 C[C@@H](O)CCc1nc2ccc(N)cc2[nH]1 ZINC000000333230 68/35/81/342683581 PKDKOMSASKISIZ-SSDOTTSWSA-N 0 205.261 BD 1.458 1 Anodyne mid BDAAMN C[C@@H](O)CCc1nc2cc(N)ccc2[nH]1 C[C@@H](O)CCc1nc2ccc(N)cc2[nH]1 ZINC000000333230 68/35/80/342683580 PKDKOMSASKISIZ-SSDOTTSWSA-N 1 205.261 BD 1.458 0 Anodyne ref BDAARO C[C@@H](O)CCc1[nH]c2ccc(N)cc2[nH+]1 Cc1nn(CC(=O)O)c(C)c1Br ZINC000000335388 38/59/83/180385983 DBQZMBXCYZSMDQ-UHFFFAOYSA-N -1 233.065 BD 1.347 0 Anodyne ref BDAARM Cc1nn(CC(=O)[O-])c(C)c1Br Cn1ccnc1COc1ccc(C=O)cc1 ZINC000000337619 68/39/53/342683953 DMUKYFSMBNHCHM-UHFFFAOYSA-N 0 216.24 BD 1.812 0 Anodyne ref BDAARN Cn1ccnc1COc1ccc(C=O)cc1 COC(=O)CCN(C)Cc1ccccc1 ZINC000000343486 68/40/91/342684091 KFBMLSVBKSZULA-UHFFFAOYSA-N 0 207.273 BD 1.681 3 Anodyne high BDAAHN COC(=O)CCN(C)Cc1ccccc1 COC(=O)CCN(C)Cc1ccccc1 ZINC000000343486 68/40/89/342684089 KFBMLSVBKSZULA-UHFFFAOYSA-N 1 207.273 BD 1.681 1 Anodyne mid BDAAMO COC(=O)CC[N@@H+](C)Cc1ccccc1 COC(=O)CCN(C)Cc1ccccc1 ZINC000000343486 68/40/88/342684088 KFBMLSVBKSZULA-UHFFFAOYSA-N 0 207.273 BD 1.681 0 Anodyne ref BDAARN COC(=O)CC[N@H+](C)Cc1ccccc1 Nc1ccccc1C(=O)Nc1cccnc1 ZINC000000346247 68/44/44/342684444 KNACUADYYQPXOO-UHFFFAOYSA-N 0 213.24 BD 1.916 0 Anodyne ref BDAARN Nc1ccccc1C(=O)Nc1cccnc1 O=C(O)CCCn1c(=O)oc2ccccc21 ZINC000000374838 85/96/20/383859620 SRSAVCBMZKGUNE-UHFFFAOYSA-N -1 221.212 BD 1.459 0 Anodyne ref BDAARM O=C([O-])CCCn1c(=O)oc2ccccc21 Cc1nc([N+](=O)[O-])cn1CC(=O)OC(C)C ZINC000000376518 05/86/01/180058601 YLVHIQDMYCQABO-UHFFFAOYSA-N 0 227.22 BD 1.051 0 Bother ref BDBARN Cc1nc([N+](=O)[O-])cn1CC(=O)OC(C)C NC(=O)c1cc(N)ccc1N1CCCCC1 ZINC000000376746 31/33/85/132313385 LUAYPIWXMDEQHJ-UHFFFAOYSA-N 1 219.288 BD 1.358 2 Anodyne low BDAALO NC(=O)c1cc(N)ccc1[NH+]1CCCCC1 NC(=O)c1cc(N)ccc1N1CCCCC1 ZINC000000376746 31/33/81/132313381 LUAYPIWXMDEQHJ-UHFFFAOYSA-N 0 219.288 BD 1.358 0 Anodyne ref BDAARN NC(=O)c1cc(N)ccc1N1CCCCC1 Nc1ccccc1C(=O)Nc1nccs1 ZINC000000380698 68/53/40/342685340 DVXPHPFMFVWGJV-UHFFFAOYSA-N 0 219.269 BD 1.978 0 Anodyne ref BDAARN Nc1ccccc1C(=O)Nc1nccs1 Cc1cc2ncn(CC(=O)O)c2cc1C ZINC000000393641 30/50/71/178305071 FSWUHNJXLGYKCJ-UHFFFAOYSA-N 0 204.229 BD 1.738 2 Anodyne low BDAALN Cc1cc2[nH+]cn(CC(=O)[O-])c2cc1C in-vitro Cc1cc2ncn(CC(=O)O)c2cc1C ZINC000000393641 30/50/67/178305067 FSWUHNJXLGYKCJ-UHFFFAOYSA-N -1 204.229 BD 1.738 0 Anodyne ref BDAARM Cc1cc2ncn(CC(=O)[O-])c2cc1C in-vitro O=c1[nH]c2ccc(Br)cc2c(=O)o1 ZINC000000396116 97/36/23/182973623 DXSMYDSFWCOSFM-UHFFFAOYSA-N 0 242.028 BD 1.244 0 Anodyne ref BDAARN O=c1[nH]c2ccc(Br)cc2c(=O)o1 O=C(O)COc1cccc2cccnc12 ZINC000000400088 86/46/18/383864618 PNKYIZBUGAZUHQ-UHFFFAOYSA-N -1 203.197 BD 1.698 0 Anodyne ref BDAARM O=C([O-])COc1cccc2cccnc12 O=C(O)CCN1Cc2ccccc2C1=O ZINC000000487464 87/16/81/383871681 QMNYVASLMSOSFP-UHFFFAOYSA-N -1 205.213 BD 1.117 0 Anodyne ref BDAARM O=C([O-])CCN1Cc2ccccc2C1=O CCc1nnc2sc(-c3ccc(N)cc3)nn12 ZINC000000556353 06/86/68/172068668 GAJKVTDZIAHPIA-UHFFFAOYSA-N 0 245.311 BD 1.997 0 Anodyne ref BDAARN CCc1nnc2sc(-c3ccc(N)cc3)nn12 O=C(c1cccc(Cl)c1)N1CCNCC1 ZINC000000782987 69/28/31/342692831 FBTDRVSCKFZIQH-UHFFFAOYSA-N 0 224.691 BD 1.385 1 Anodyne mid BDAAMN O=C(c1cccc(Cl)c1)N1CCNCC1 in-vivo O=C(c1cccc(Cl)c1)N1CCNCC1 ZINC000000782987 69/28/30/342692830 FBTDRVSCKFZIQH-UHFFFAOYSA-N 1 224.691 BD 1.385 0 Anodyne ref BDAARO O=C(c1cccc(Cl)c1)N1CC[NH2+]CC1 in-vivo Nc1cc(C(=O)O)ccc1N1CCCC1 ZINC000000785071 67/88/90/181678890 QXWKTXWBBLXQFC-UHFFFAOYSA-N -1 206.245 BD 1.567 0 Anodyne ref BDAARM Nc1cc(C(=O)[O-])ccc1N1CCCC1 Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000000791617 69/27/71/342692771 DZMDLTMWYNWMFK-UHFFFAOYSA-N 0 233.315 BD 1.693 1 Clean mid BDCAMN Nc1ccc(NC(=O)CN2CCCCC2)cc1 Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000000791617 69/27/63/342692763 DZMDLTMWYNWMFK-UHFFFAOYSA-N 1 233.315 BD 1.693 0 Clean ref BDCARO Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 COc1ccc(OCc2nnc(N)s2)cc1 ZINC000000808203 88/09/24/383880924 BVYNFLPAMUDFSH-UHFFFAOYSA-N 0 237.284 BD 1.708 0 Anodyne ref BDAARN COc1ccc(OCc2nnc(N)s2)cc1 Cc1nn(CCC(=O)O)c(C)c1Br ZINC000000818918 38/83/67/180388367 QTOFWFGESPQEHM-UHFFFAOYSA-N -1 247.092 BD 1.737 0 Anodyne ref BDAARM Cc1nn(CCC(=O)[O-])c(C)c1Br Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000000852576 69/36/48/342693648 BUSMNBJMZQGXPQ-UHFFFAOYSA-N 0 219.269 BD 1.978 0 Anodyne ref BDAARN Nc1ccc(C(=O)Nc2nccs2)cc1 Cc1cc(C)n(-c2ccc(N)cc2C(=O)O)n1 ZINC000000863720 88/42/97/383884297 PAVFCABVTRSAIV-UHFFFAOYSA-N -1 231.255 BD 1.77 0 Anodyne ref BDAARM Cc1cc(C)n(-c2ccc(N)cc2C(=O)[O-])n1 Cn1cc(C(=O)O)c(=O)c2ccc(Cl)cc21 ZINC000000864968 69/38/42/342693842 UEZCMDFHCHWUFM-UHFFFAOYSA-N -1 237.642 BD 1.89 0 Anodyne ref BDAARM Cn1cc(C(=O)[O-])c(=O)c2ccc(Cl)cc21 Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000000873670 69/40/84/342694084 RYWXWLQEGTXUCU-UHFFFAOYSA-N 0 204.273 BD 1.941 0 Anodyne ref BDAARN Nc1ccc(C(=O)NC2CCCC2)cc1 Nc1ccc(NC(=O)c2cccnc2)cc1 ZINC000000873946 69/41/42/342694142 PYIOLOFFPBBNGV-UHFFFAOYSA-N 0 213.24 BD 1.916 0 Clean ref BDCARN Nc1ccc(NC(=O)c2cccnc2)cc1 O=C(O)CCCn1cnc2ccccc21 ZINC000000874663 44/30/82/182443082 UZPPPCKAOWOOBS-UHFFFAOYSA-N -1 204.229 BD 1.901 0 Anodyne ref BDAARM O=C([O-])CCCn1cnc2ccccc21 O=[N+]([O-])c1cnc(Br)s1 ZINC000001081253 69/71/81/342697181 ANIJFZVZXZQFDH-UHFFFAOYSA-N 0 209.024 BD 1.814 0 Bother ref BDBARN O=[N+]([O-])c1cnc(Br)s1 in-vitro