CCOc1ccc(NC(=O)C[C@@H](C)O)cc1 ZINC000000000099 66/94/47/342669447 LIAWQASKBFCRNR-SECBINFHSA-N 0 223.272 BD 1.795 0 Anodyne ref BDAARN CCOc1ccc(NC(=O)C[C@@H](C)O)cc1 world OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000000000135 11/28/68/183112868 MXOAEAUPQDYUQM-MRVPVSSYSA-N 0 202.637 BD 1.072 0 Anodyne ref BDAARN OC[C@@H](O)COc1ccc(Cl)cc1 world CC[C@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1 ZINC000000000401 66/93/37/342669337 HUYWAWARQUIQLE-GWCFXTLKSA-N 1 239.315 BD 1.908 0 Clean ref BDCARO CC[C@H]([NH2+]C(C)C)[C@@H](O)c1ccc(O)c(O)c1 world COc1ccccc1OC[C@@H]1CNC(=O)O1 ZINC000000000452 34/14/55/175341455 ZMNSRFNUONFLSP-QMMMGPOBSA-N 0 223.228 BD 1.182 0 Anodyne ref BDAARN COc1ccccc1OC[C@@H]1CNC(=O)O1 in-man Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1 ZINC000000000471 66/92/86/342669286 IMWZZHHPURKASS-LLVKDONJSA-N 0 221.256 BD 1.791 0 Anodyne ref BDAARN Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1 fda CC[C@]1(c2ccccc2)NC(=O)NC1=O ZINC000000000546 66/95/56/342669556 UDTWZFJEMMUFLC-LLVKDONJSA-N -1 204.229 BD 1.131 3 Anodyne high BDAAHM CC[C@]1(c2ccccc2)NC(=O)[N-]C1=O world CC[C@]1(c2ccccc2)NC(=O)NC1=O ZINC000000000546 66/95/55/342669555 UDTWZFJEMMUFLC-LLVKDONJSA-N 0 204.229 BD 1.131 0 Anodyne ref BDAARN CC[C@]1(c2ccccc2)NC(=O)NC1=O world CCCc1ncc(C[n+]2ccccc2C)c(N)n1 ZINC000000000934 66/94/18/342669418 IPZFPROOBOUEIG-UHFFFAOYSA-N 1 243.334 BD 1.656 0 Anodyne ref BDAARO CCCc1ncc(C[n+]2ccccc2C)c(N)n1 in-man CCOc1cc(NC(C)=O)ccc1C(=O)OC ZINC000000001387 52/54/16/170525416 GOVWOKSKFSBNGD-UHFFFAOYSA-N 0 237.255 BD 1.83 0 Anodyne ref BDAARN CCOc1cc(NC(C)=O)ccc1C(=O)OC in-man O=C(N/N=C/c1ccccc1O)c1ccncc1 ZINC000000002061 17/65/20/560176520 VBIZUNYMJSPHBH-OQLLNIDSSA-N -1 241.25 BD 1.551 3 Reactive high BDGAHM O=C(N/N=C/c1ccccc1[O-])c1ccncc1 in-vitro O=C(N/N=C/c1ccccc1O)c1ccncc1 ZINC000000002061 17/65/19/560176519 VBIZUNYMJSPHBH-OQLLNIDSSA-N 0 241.25 BD 1.551 0 Reactive ref BDGARN O=C(N/N=C/c1ccccc1O)c1ccncc1 in-vitro 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 CCC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000008819 22/03/60/168220360 DGOWDUFJCINDGI-UHFFFAOYSA-N 0 246.31 BD 1.381 0 Anodyne ref BDAARN CCC(=O)N1CCN(C(=O)c2ccccc2)CC1 in-vitro C1=Cc2cccc(OC[C@@H]3CNCCO3)c2C1 ZINC000000009710 81/79/42/383817942 MADRVGBADLFHMO-LBPRGKRZSA-N 0 231.295 BD 1.623 3 Anodyne high BDAAHN C1=Cc2cccc(OC[C@@H]3CNCCO3)c2C1 world C1=Cc2cccc(OC[C@@H]3CNCCO3)c2C1 ZINC000000009710 81/79/33/383817933 MADRVGBADLFHMO-LBPRGKRZSA-N 1 231.295 BD 1.623 0 Anodyne ref BDAARO C1=Cc2cccc(OC[C@@H]3C[NH2+]CCO3)c2C1 world 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 CC(=O)c1ccc(N2CCNCC2)cc1 ZINC000000029076 31/22/44/132312244 KPXVKKBJROCIJB-UHFFFAOYSA-N 0 204.273 BD 1.299 3 Anodyne high BDAAHN CC(=O)c1ccc(N2CCNCC2)cc1 CC(=O)c1ccc(N2CCNCC2)cc1 ZINC000000029076 31/22/43/132312243 KPXVKKBJROCIJB-UHFFFAOYSA-N 1 204.273 BD 1.299 0 Anodyne ref BDAARO CC(=O)c1ccc(N2CC[NH2+]CC2)cc1 CC(C)=CCNc1ncnc2[nH]cnc12 ZINC000000032351 24/41/93/187244193 HYVABZIGRDEKCD-UHFFFAOYSA-N 0 203.249 BD 1.731 1 Anodyne mid BDAAMN CC(C)=CCNc1ncnc2[nH]cnc12 biogenic in-vivo CC(C)=CCNc1ncnc2[nH]cnc12 ZINC000000032351 24/41/91/187244191 HYVABZIGRDEKCD-UHFFFAOYSA-N 0 203.249 BD 1.731 0 Anodyne ref BDAARN CC(C)=CCNc1ncnc2nc[nH]c12 biogenic in-vivo COC(=O)c1ccc(NC(C)=O)cc1OC ZINC000000036690 81/95/67/383819567 OERVVBDWGVOBIS-UHFFFAOYSA-N 0 223.228 BD 1.44 0 Anodyne ref BDAARN COC(=O)c1ccc(NC(C)=O)cc1OC CCO/C(O)=N/S(=O)(=O)c1ccc(C)cc1 ZINC000000046534 17/88/74/170178874 DFWQXANLGSXMKF-UHFFFAOYSA-N -1 243.284 BD 1.634 1 Mild mid BDEAMM CCOC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 CCO/C(O)=N/S(=O)(=O)c1ccc(C)cc1 ZINC000000046534 17/88/73/170178873 DFWQXANLGSXMKF-UHFFFAOYSA-N -1 243.284 BD 1.634 1 Mild mid BDEAMM CCOC([O-])=NS(=O)(=O)c1ccc(C)cc1 CCO/C(O)=N/S(=O)(=O)c1ccc(C)cc1 ZINC000000046534 17/88/70/170178870 DFWQXANLGSXMKF-UHFFFAOYSA-N -1 243.284 BD 1.634 0 Mild ref BDEARM CCOC(=O)N=S(=O)([O-])c1ccc(C)cc1 O=C(O)c1cccnc1-c1ncccc1C(=O)O ZINC000000047217 67/11/97/342671197 KNVZVRWMLMPTTJ-UHFFFAOYSA-N -2 244.206 BD 1.54 0 Anodyne ref BDAARL O=C([O-])c1cccnc1-c1ncccc1C(=O)[O-] Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000000054928 44/59/05/384445905 OXBDLEXAVKAJFD-UHFFFAOYSA-N 0 215.23 BD 1.307 0 Bother ref BDBARN Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O ZINC000000056436 64/86/06/166648606 ZQEBQGAAWMOMAI-ZETCQYMHSA-N -1 215.249 BD 1.471 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[O-] CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O ZINC000000056437 24/44/68/187244468 ZQEBQGAAWMOMAI-SSDOTTSWSA-N -1 215.249 BD 1.471 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)[O-] COc1ccc(NC(=O)CC(C)=O)cc1 ZINC000000056480 14/13/16/175141316 SWAJJKROCOJICG-UHFFFAOYSA-N 0 207.229 BD 1.613 0 Anodyne ref BDAARN COc1ccc(NC(=O)CC(C)=O)cc1 COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000000056487 67/18/77/342671877 WTRWSSDZHQOPJI-NSHDSACASA-N 0 233.267 BD 1.208 0 Anodyne ref BDAARN COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000000056488 67/18/10/342671810 WTRWSSDZHQOPJI-LLVKDONJSA-N 0 233.267 BD 1.208 0 Anodyne ref BDAARN COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/45/383821145 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/40/383821140 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/35/383821135 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/25/383821125 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/18/383821118 PHTILULPLFUXPS-LBPRGKRZSA-N 0 247.294 BD 1.251 0 Anodyne ref BDAARN COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/98/342671798 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/97/342671797 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/95/342671795 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/93/342671793 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/91/342671791 PHTILULPLFUXPS-GFCCVEGCSA-N 0 247.294 BD 1.251 0 Anodyne ref BDAARN COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O in-vitro O=C(O)c1cc(Br)c(O)cc1O ZINC000000056594 67/18/58/342671858 ZRBCISXJLHZOMS-UHFFFAOYSA-N -2 233.017 BD 1.558 3 Anodyne high BDAAHL O=C([O-])c1cc(Br)c([O-])cc1O O=C(O)c1cc(Br)c(O)cc1O ZINC000000056594 67/18/57/342671857 ZRBCISXJLHZOMS-UHFFFAOYSA-N -1 233.017 BD 1.558 0 Anodyne ref BDAARM O=C([O-])c1cc(Br)c(O)cc1O CC(C)NC[C@H](O)c1ccc(O)c(O)c1 ZINC000000056652 11/56/20/167115620 JWZZKOKVBUJMES-NSHDSACASA-N 1 211.261 BD 1.129 0 Clean ref BDCARO CC(C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 fda biogenic CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 ZINC000000056653 11/06/91/167110691 JWZZKOKVBUJMES-LLVKDONJSA-N 1 211.261 BD 1.129 0 Clean ref BDCARO CC(C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 fda biogenic COC(=O)c1[nH]c2ccccc2c1C(=O)OC ZINC000000056830 82/21/93/383822193 JNRXSMOJWKDVHC-UHFFFAOYSA-N -1 233.223 BD 1.741 1 Anodyne mid BDAAMM COC(=O)c1[n-]c2ccccc2c1C(=O)OC COC(=O)c1[nH]c2ccccc2c1C(=O)OC ZINC000000056830 82/21/91/383822191 JNRXSMOJWKDVHC-UHFFFAOYSA-N 0 233.223 BD 1.741 0 Anodyne ref BDAARN COC(=O)c1[nH]c2ccccc2c1C(=O)OC On1nnc2ccc(C(F)(F)F)cc21 ZINC000000056862 24/45/54/187244554 DGIBHCWBCOAPDN-UHFFFAOYSA-N 0 203.123 BD 1.687 2 Anodyne low BDAALN On1nnc2ccc(C(F)(F)F)cc21 On1nnc2ccc(C(F)(F)F)cc21 ZINC000000056862 24/45/53/187244553 DGIBHCWBCOAPDN-UHFFFAOYSA-N 0 203.123 BD 1.687 0 Anodyne ref BDAARN [O-]n1nnc2ccc(C(F)(F)F)cc21 CC(C)(C)OC(=O)NC1(C(=O)O)CC1 ZINC000000057220 65/94/02/166659402 DSKCOVBHIFAJRI-UHFFFAOYSA-N -1 201.222 BD 1.128 0 Anodyne ref BDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CC1 CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1 ZINC000000057562 67/21/59/342672159 JWOHBPPVVDQMKB-UHFFFAOYSA-N -1 229.276 BD 1.718 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1 CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N ZINC000000057700 30/33/61/170303361 RPPPCKSHIYWAPW-UHFFFAOYSA-N 0 249.245 BD 1.77 0 Anodyne ref BDAARN CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N O=C(O)c1cc2ccc(O)cc2oc1=O ZINC000000058026 67/20/39/342672039 LKLWLDOUZJEHDY-UHFFFAOYSA-N -2 206.153 BD 1.197 1 Anodyne mid BDAAML O=C([O-])c1cc2ccc([O-])cc2oc1=O O=C(O)c1cc2ccc(O)cc2oc1=O ZINC000000058026 67/20/37/342672037 LKLWLDOUZJEHDY-UHFFFAOYSA-N -1 206.153 BD 1.197 0 Anodyne ref BDAARM O=C([O-])c1cc2ccc(O)cc2oc1=O CC(C)N1CCN(c2ccc(O)cc2)CC1 ZINC000000058265 31/25/50/132312550 BMBPGRMBBHKAEP-UHFFFAOYSA-N 0 220.316 BD 1.923 3 Anodyne high BDAAHN CC(C)N1CCN(c2ccc(O)cc2)CC1 CC(C)N1CCN(c2ccc(O)cc2)CC1 ZINC000000058265 31/25/49/132312549 BMBPGRMBBHKAEP-UHFFFAOYSA-N 1 220.316 BD 1.923 0 Anodyne ref BDAARO CC(C)[NH+]1CCN(c2ccc(O)cc2)CC1 CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C ZINC000000075008 67/31/44/342673144 QCHFTSOMWOSFHM-WPRPVWTQSA-N 1 208.261 BD 1.162 2 Anodyne low BDAALO CC[C@@H]1C(=O)OC[C@@H]1Cc1c[nH+]cn1C fda biogenic CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C ZINC000000075008 67/31/43/342673143 QCHFTSOMWOSFHM-WPRPVWTQSA-N 0 208.261 BD 1.162 0 Anodyne ref BDAARN CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C fda biogenic O=C1CCN(Cc2ccccc2)CCN1 ZINC000000077600 67/30/18/342673018 DKNOPZCYIDBMNY-UHFFFAOYSA-N 0 204.273 BD 1.008 3 Anodyne high BDAAHN O=C1CCN(Cc2ccccc2)CCN1 O=C1CCN(Cc2ccccc2)CCN1 ZINC000000077600 67/30/16/342673016 DKNOPZCYIDBMNY-UHFFFAOYSA-N 1 204.273 BD 1.008 1 Anodyne mid BDAAMO O=C1CC[N@@H+](Cc2ccccc2)CCN1 O=C1CCN(Cc2ccccc2)CCN1 ZINC000000077600 67/30/14/342673014 DKNOPZCYIDBMNY-UHFFFAOYSA-N 0 204.273 BD 1.008 0 Anodyne ref BDAARN O=C1CC[N@H+](Cc2ccccc2)CCN1 O=C(O)c1ccc(OCC(F)(F)F)nc1 ZINC000000077963 57/12/77/182571277 GZOOLXWQKURRPU-UHFFFAOYSA-N -1 221.134 BD 1.721 0 Anodyne ref BDAARM O=C([O-])c1ccc(OCC(F)(F)F)nc1 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 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000000080814 41/09/13/574410913 DZTHIGRZJZPRDV-GFCCVEGCSA-N -1 246.266 BD 1.3 0 Anodyne ref BDAARM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] in-vitro endogenous CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)O ZINC000000080850 00/46/34/168004634 LSPHULWDVZXLIL-QUBYGPBYSA-N -2 200.234 BD 1.598 0 Anodyne ref BDAARL CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-] in-man endogenous Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/19/166103219 YHVBXKTXLJTDRI-UHFFFAOYSA-N -1 225.049 BD 1.629 3 Anodyne high BDAAHM Brc1ccccc1-c1nn[n-]n1 Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/17/166103217 YHVBXKTXLJTDRI-UHFFFAOYSA-N -1 225.049 BD 1.629 3 Anodyne high BDAAHM Brc1ccccc1-c1nnn[n-]1 Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/14/166103214 YHVBXKTXLJTDRI-UHFFFAOYSA-N 0 225.049 BD 1.629 0 Anodyne ref BDAARN Brc1ccccc1-c1nn[nH]n1 O=C(O)c1ccccc1I ZINC000000090931 67/40/90/342674090 CJNZAXGUTKBIHP-UHFFFAOYSA-N -1 248.019 BD 1.989 0 Anodyne ref BDAARM O=C([O-])c1ccccc1I in-vitro O=C(O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000106540 67/48/01/342674801 GHTSPNBSVDWGED-QMMMGPOBSA-N -1 205.213 BD 1.124 0 Anodyne ref BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccccc2)C1 O=C(O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000106544 67/45/54/342674554 GHTSPNBSVDWGED-MRVPVSSYSA-N -1 205.213 BD 1.124 0 Anodyne ref BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2)C1 COc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 ZINC000000117350 20/20/38/175202038 YUXLPEGMXYHPCZ-UHFFFAOYSA-N -1 219.196 BD 1.235 3 Anodyne high BDAAHM COc1ccc2[n-]cc(C(=O)O)c(=O)c2c1 COc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 ZINC000000117350 20/20/37/175202037 YUXLPEGMXYHPCZ-UHFFFAOYSA-N -1 219.196 BD 1.235 1 Anodyne mid BDAAMM COc1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1 COc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 ZINC000000117350 20/20/34/175202034 YUXLPEGMXYHPCZ-UHFFFAOYSA-N -1 219.196 BD 1.235 0 Anodyne ref BDAARM COc1ccc2ncc(C(=O)[O-])c(O)c2c1 Cc1c(C=O)c(=O)n(-c2ccccc2)n1C ZINC000000119347 67/54/09/342675409 QFYZFYDOEJZMDX-UHFFFAOYSA-N 0 216.24 BD 1.297 0 Anodyne ref BDAARN Cc1c(C=O)c(=O)n(-c2ccccc2)n1C in-vitro O=c1[nH]c2ccccc2n1C1CCNCC1 ZINC000000119391 97/60/62/182976062 BYNBAMHAURJNTR-UHFFFAOYSA-N 1 217.272 BD 1.254 0 Anodyne ref BDAARO O=c1[nH]c2ccccc2n1C1CC[NH2+]CC1 COC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1 ZINC000000120420 75/28/58/173752858 CVZUMGUZDAWOGA-VHSXEESVSA-N 0 208.213 BD 1.308 0 Anodyne ref BDAARN COC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1 OC[C@H](O)COc1ccc(Cl)cc1 ZINC000000129343 14/36/69/183143669 MXOAEAUPQDYUQM-QMMMGPOBSA-N 0 202.637 BD 1.072 0 Anodyne ref BDAARN OC[C@H](O)COc1ccc(Cl)cc1 world CS(=O)(=O)c1ccc2nc(N)sc2c1 ZINC000000129448 82/98/04/383829804 ZYHNHJAMVNINSY-UHFFFAOYSA-N 0 228.298 BD 1.282 0 Anodyne ref BDAARN CS(=O)(=O)c1ccc2nc(N)sc2c1 CC(C)(C)OC(=O)NC1CCNCC1 ZINC000000129481 66/01/73/166660173 CKXZPVPIDOJLLM-UHFFFAOYSA-N 1 200.282 BD 1.263 0 Anodyne ref BDAARO CC(C)(C)OC(=O)NC1CC[NH2+]CC1 N[C@H](CC(=O)O)c1ccc(Br)cc1 ZINC000000129901 67/61/20/342676120 RBOUYDUXPMAYMJ-MRVPVSSYSA-N 0 244.088 BD 1.924 0 Anodyne ref BDAARN [NH3+][C@H](CC(=O)[O-])c1ccc(Br)cc1 N[C@@H](CC(=O)O)c1ccc(Br)cc1 ZINC000000129903 67/61/42/342676142 RBOUYDUXPMAYMJ-QMMMGPOBSA-N 0 244.088 BD 1.924 0 Anodyne ref BDAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(Br)cc1 COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)O ZINC000000132590 34/98/11/175349811 LMMNYYZCVYAOOF-KWQFWETISA-N -1 236.223 BD 1.384 0 Anodyne ref BDAARM COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)[O-] COc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)O ZINC000000132592 35/51/25/175355125 LMMNYYZCVYAOOF-GZMMTYOYSA-N -1 236.223 BD 1.384 0 Anodyne ref BDAARM COc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)[O-] COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)O ZINC000000132594 34/99/78/175349978 LMMNYYZCVYAOOF-KCJUWKMLSA-N -1 236.223 BD 1.384 0 Anodyne ref BDAARM COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)[O-] COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)O ZINC000000132596 35/56/25/175355625 LMMNYYZCVYAOOF-LDYMZIIASA-N -1 236.223 BD 1.384 0 Anodyne ref BDAARM COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)[O-] O=C(O)Cc1cncc(Br)c1 ZINC000000135689 49/39/80/182493980 UETIDNDXXGCJCE-UHFFFAOYSA-N -1 216.034 BD 1.471 0 Anodyne ref BDAARM O=C([O-])Cc1cncc(Br)c1 NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000000138322 67/67/85/342676785 ZUTVRDMZQSHCID-UHFFFAOYSA-N 0 225.191 BD 1.353 0 Anodyne ref BDAARN NS(=O)(=O)c1cccc(C(F)(F)F)c1 COC(=O)c1ccc(Br)o1 ZINC000000142738 86/79/97/173867997 FBPIDMAELBIRLE-UHFFFAOYSA-N 0 205.007 BD 1.829 0 Anodyne ref BDAARN COC(=O)c1ccc(Br)o1 O=C(O)c1cc(Br)ccn1 ZINC000000151256 55/39/04/182553904 RPHHYRNGCJYQSP-UHFFFAOYSA-N -1 202.007 BD 1.542 0 Anodyne ref BDAARM O=C([O-])c1cc(Br)ccn1 in-vitro O=C(O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000151452 53/12/36/182531236 QPYOMMCYFFZXIT-ZETCQYMHSA-N -1 239.658 BD 1.778 0 Anodyne ref BDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 O=C(O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000151453 67/74/27/342677427 QPYOMMCYFFZXIT-SSDOTTSWSA-N -1 239.658 BD 1.778 0 Anodyne ref BDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 COc1cc(/C=C/C(=O)O)cc(OC)c1OC ZINC000000152561 93/98/45/174939845 YTFVRYKNXDADBI-SNAWJCMRSA-N -1 238.239 BD 1.81 0 Anodyne ref BDAARM COc1cc(/C=C/C(=O)[O-])cc(OC)c1OC in-man endogenous Clc1nc(Cl)nc(N2CCOCC2)n1 ZINC000000152890 31/28/64/132312864 UQAMDAUJTXFNAD-UHFFFAOYSA-N 0 235.074 BD 1.015 0 Anodyne ref BDAARN Clc1nc(Cl)nc(N2CCOCC2)n1 COc1cccc(/C=C/C(=O)O)c1OC ZINC000000153647 24/08/23/175240823 QAXPUWGAGVERSJ-VOTSOKGWSA-N -1 208.213 BD 1.802 0 Anodyne ref BDAARM COc1cccc(/C=C/C(=O)[O-])c1OC COC(=O)c1ccc(C(F)(F)F)nc1 ZINC000000154401 87/14/26/173871426 NEATXKNYTRXHQL-UHFFFAOYSA-N 0 205.135 BD 1.887 0 Anodyne ref BDAARN COC(=O)c1ccc(C(F)(F)F)nc1 O=C(O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000000154422 56/48/47/182564847 JPOIZUVDMRHIIT-UHFFFAOYSA-N -1 207.107 BD 1.092 0 Anodyne ref BDAARM O=C([O-])c1ccc(C(F)(F)F)[nH]c1=O NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000000154426 29/55/31/181295531 JBTBDGVGPLLRLS-UHFFFAOYSA-N 0 224.569 BD 1.853 0 Anodyne ref BDAARN NC(=O)c1ccc(C(F)(F)F)nc1Cl COc1cc(C(C)=O)ccc1OC(C)=O ZINC000000154515 08/18/91/358081891 GCVAEUQDYWOLCF-UHFFFAOYSA-N 0 208.213 BD 1.823 0 Anodyne ref BDAARN COc1cc(C(C)=O)ccc1OC(C)=O in-vitro O=c1cc(OCc2ccccc2)cc[nH]1 ZINC000000155105 67/77/24/342677724 DOVNUEPFPBWTSV-UHFFFAOYSA-N 0 201.225 BD 1.954 0 Anodyne ref BDAARN O=c1cc(OCc2ccccc2)cc[nH]1