CCOC(=O)C1=C(C)N2CCN=C2S1 ZINC000000051806 19/12/19/170191219 LYDCZKDPCCSYDX-UHFFFAOYSA-N 0 212.274 BD 1.199 0 Anodyne ref BDAARN CCOC(=O)C1=C(C)N2CCN=C2S1 O=C1NC(=O)/C(=C\c2cccc(F)c2)N1 ZINC000000072182 21/94/99/386219499 SEMFFEPZUXCWRI-VMPITWQZSA-N 0 206.176 BD 1.006 1 Anodyne mid BDAAMN O=C1NC(=O)/C(=C\c2cccc(F)c2)N1 O=C1NC(=O)/C(=C\c2cccc(F)c2)N1 ZINC000000072182 21/94/82/386219482 SEMFFEPZUXCWRI-VMPITWQZSA-N -1 206.176 BD 1.006 0 Anodyne ref BDAARM O=C1[N-]C(=O)/C(=C\c2cccc(F)c2)N1 O=C1NC(=O)/C(=C\c2ccc(Cl)s2)N1 ZINC000000073155 82/21/73/383822173 SPFSMWGCTVRBCQ-HWKANZROSA-N 0 228.66 BD 1.582 1 Anodyne mid BDAAMN O=C1NC(=O)/C(=C\c2ccc(Cl)s2)N1 O=C1NC(=O)/C(=C\c2ccc(Cl)s2)N1 ZINC000000073155 82/21/68/383822168 SPFSMWGCTVRBCQ-HWKANZROSA-N -1 228.66 BD 1.582 0 Anodyne ref BDAARM O=C1[N-]C(=O)/C(=C\c2ccc(Cl)s2)N1 CCOC(=O)CC1=CSC2=NCCN12 ZINC000000091663 19/79/87/170197987 IWXSEVRNVJJFOY-UHFFFAOYSA-N 1 212.274 BD 1.199 2 Anodyne low BDAALO CCOC(=O)CC1=CSC2=[NH+]CCN12 CCOC(=O)CC1=CSC2=NCCN12 ZINC000000091663 19/79/85/170197985 IWXSEVRNVJJFOY-UHFFFAOYSA-N 1 212.274 BD 1.199 0 Anodyne ref BDAARO CCOC(=O)CC1=CSC2=NCCN12 O=c1[nH]cnc2c1sc1ncccc12 ZINC000000171810 67/91/40/342679140 XVEUJPQIDXXNFD-UHFFFAOYSA-N 0 203.226 BD 1.533 2 Anodyne low BDAALN O=c1nc[nH]c2c1sc1ncccc12 O=c1[nH]cnc2c1sc1ncccc12 ZINC000000171810 67/91/39/342679139 XVEUJPQIDXXNFD-UHFFFAOYSA-N -1 203.226 BD 1.533 0 Anodyne ref BDAARM O=c1nc[n-]c2c1sc1ncccc12 Cc1c(/C=N/NC(N)=S)c2ccccc2n1C ZINC000000206489 67/99/32/342679932 ZWFXEQDJFOINKP-VGOFMYFVSA-N 0 246.339 BD 1.654 0 Mild ref BDEARN Cc1c(/C=N/NC(N)=S)c2ccccc2n1C CCN1C(=O)N/C(=C/c2ccccc2OC)C1=O ZINC000000361599 68/48/42/342684842 LLNDIVDCZNQIMP-CSKARUKUSA-N 0 246.266 BD 1.608 0 Anodyne ref BDAARN CCN1C(=O)N/C(=C/c2ccccc2OC)C1=O CCN1C(=O)N/C(=C/c2cccs2)C1=O ZINC000000361653 68/49/10/342684910 VXGWHOWFMKGCDF-SOFGYWHQSA-N 0 222.269 BD 1.661 0 Anodyne ref BDAARN CCN1C(=O)N/C(=C/c2cccs2)C1=O CCOC(=O)c1ccc(O)c(NC(C)=O)c1 ZINC000000394173 29/68/59/170296859 ZFUUCLVWOIFOEC-UHFFFAOYSA-N -1 223.228 BD 1.527 1 Anodyne mid BDAAMM CCOC(=O)c1ccc([O-])c(NC(C)=O)c1 CCOC(=O)c1ccc(O)c(NC(C)=O)c1 ZINC000000394173 29/68/57/170296857 ZFUUCLVWOIFOEC-UHFFFAOYSA-N 0 223.228 BD 1.527 0 Anodyne ref BDAARN CCOC(=O)c1ccc(O)c(NC(C)=O)c1 O=C1NC(=O)C(=C/C=C/c2cccs2)C(=O)N1 ZINC000000435137 85/62/64/345856264 XVDGTYMDHFXORY-HNQUOIGGSA-N 0 248.263 BD 1.054 1 Clean mid BDCAMN O=C1NC(=O)C(=C/C=C/c2cccs2)C(=O)N1 in-vitro O=C1NC(=O)C(=C/C=C/c2cccs2)C(=O)N1 ZINC000000435137 85/62/55/345856255 XVDGTYMDHFXORY-HNQUOIGGSA-N -1 248.263 BD 1.054 0 Clean ref BDCARM O=C1[N-]C(=O)C(=C/C=C/c2cccs2)C(=O)N1 in-vitro CNC(=S)Nc1ccc(OC)cc1OC ZINC000000439548 31/70/90/173317090 AEAMTMOOCLHDSR-UHFFFAOYSA-N 0 226.301 BD 1.62 0 Anodyne ref BDAARN CNC(=S)Nc1ccc(OC)cc1OC Cc1c(/C=N/n2cnnc2)c2ccccc2n1C ZINC000000452401 55/49/52/177554952 NEYBDDPRTAQYRG-FRKPEAEDSA-N 0 239.282 BD 1.96 0 Mild ref BDEARN Cc1c(/C=N/n2cnnc2)c2ccccc2n1C COc1ccc(/C=C2/NC(=O)NC2=O)c(C)c1 ZINC000000478888 04/79/10/175047910 SWRWCPIZEXVDKC-UXBLZVDNSA-N 0 232.239 BD 1.184 1 Anodyne mid BDAAMN COc1ccc(/C=C2/NC(=O)NC2=O)c(C)c1 COc1ccc(/C=C2/NC(=O)NC2=O)c(C)c1 ZINC000000478888 04/79/07/175047907 SWRWCPIZEXVDKC-UXBLZVDNSA-N -1 232.239 BD 1.184 0 Anodyne ref BDAARM COc1ccc(/C=C2/NC(=O)[N-]C2=O)c(C)c1 NC(=S)N/N=C/c1cccn1-c1ccccc1 ZINC000000563957 31/70/37/181317037 IHFVTEBSGSHSEJ-NTEUORMPSA-N 0 244.323 BD 1.644 0 Mild ref BDEARN NC(=S)N/N=C/c1cccn1-c1ccccc1 C=CCN1C(=O)N/C(=C/c2cccs2)C1=O ZINC000000564250 35/09/17/166350917 VYBJYQQGGWWTAV-VQHVLOKHSA-N 0 234.28 BD 1.827 0 Mild ref BDEARN C=CCN1C(=O)N/C(=C/c2cccs2)C1=O C(=N/n1cnnc1)\c1cccn1-c1ccccc1 ZINC000000573111 22/94/52/166229452 WPZGPTBFWCPEAW-CXUHLZMHSA-N 0 237.266 BD 1.951 0 Mild ref BDEARN C(=N/n1cnnc1)\c1cccn1-c1ccccc1 O=C1CNC(=O)N1Cc1ccc(Cl)cc1 ZINC000000802027 76/45/03/397764503 CXUGPGBQCOFNTD-UHFFFAOYSA-N 0 224.647 BD 1.392 0 Anodyne ref BDAARN O=C1CNC(=O)N1Cc1ccc(Cl)cc1 Cc1cc(/C=C2/NC(=O)NC2=O)cc(C)c1O ZINC000000814632 69/32/85/342693285 ZDHTWGYXBAWHRC-WEVVVXLNSA-N 0 232.239 BD 1.189 1 Anodyne mid BDAAMN Cc1cc(/C=C2/NC(=O)NC2=O)cc(C)c1O Cc1cc(/C=C2/NC(=O)NC2=O)cc(C)c1O ZINC000000814632 69/32/83/342693283 ZDHTWGYXBAWHRC-WEVVVXLNSA-N -1 232.239 BD 1.189 0 Anodyne ref BDAARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)cc(C)c1O NN1C(=O)/C(=C/c2ccsc2)SC1=S ZINC000001006708 69/59/35/342695935 DTABQLVLGBDZMW-UTCJRWHESA-N 0 242.35 BD 1.823 0 Clean ref BDCARN NN1C(=O)/C(=C/c2ccsc2)SC1=S C(=N/n1cnnc1)\c1ccc(N2CCCC2)cc1 ZINC000001069162 22/96/46/166229646 VBWGXMGCTYZKRE-CXUHLZMHSA-N 0 241.298 BD 1.76 0 Mild ref BDEARN C(=N/n1cnnc1)\c1ccc(N2CCCC2)cc1 NC(=S)N/N=C/c1ccc(N2CCCC2)cc1 ZINC000001093595 31/71/75/181317175 AHMCAMFTTZJPKF-NTEUORMPSA-N 1 248.355 BD 1.454 1 Mild mid BDEAMO NC(=S)N/[NH+]=C/c1ccc(N2CCCC2)cc1 NC(=S)N/N=C/c1ccc(N2CCCC2)cc1 ZINC000001093595 31/71/72/181317172 AHMCAMFTTZJPKF-NTEUORMPSA-N 0 248.355 BD 1.454 0 Mild ref BDEARN NC(=S)N/N=C/c1ccc(N2CCCC2)cc1 C#CCN1C(=O)S/C(=C\c2ccco2)C1=O ZINC000001167547 30/19/74/187301974 YZDGNDQTBRQPLL-CLFYSBASSA-N 0 233.248 BD 1.949 0 Mild ref BDEARN C#CCN1C(=O)S/C(=C\c2ccco2)C1=O CCOC(=O)Cn1c(=O)cc(C)c2ccccc21 ZINC000001398439 23/67/91/170236791 GKGCZAUBJQSKOF-UHFFFAOYSA-N 0 245.278 BD 1.873 0 Anodyne ref BDAARN CCOC(=O)Cn1c(=O)cc(C)c2ccccc21 O=C(C[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001640980 03/33/41/182033341 RMVNRJQZZSUJMW-UHFFFAOYSA-N 1 243.242 BD 1.765 0 Mild ref BDEARO O=C(C[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1 ZINC000001761361 38/26/49/183382649 TUASFNZQWJGIHZ-UHFFFAOYSA-N -1 223.239 BD 1.929 3 Anodyne high BDAAHM c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1 c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1 ZINC000001761361 38/26/48/183382648 TUASFNZQWJGIHZ-UHFFFAOYSA-N -1 223.239 BD 1.929 3 Anodyne high BDAAHM c1ccc(-c2nnc(-c3ccccn3)[n-]2)nc1 c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1 ZINC000001761361 38/26/45/183382645 TUASFNZQWJGIHZ-UHFFFAOYSA-N 0 223.239 BD 1.929 0 Anodyne ref BDAARN c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1 O=C(O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 ZINC000001884607 02/44/20/388024420 PORLDZNHGKQNJP-AATRIKPKSA-N -1 246.222 BD 1.973 0 Anodyne ref BDAARM O=C([O-])Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)O ZINC000002526144 72/25/15/342722515 CSSQXZIEIAKRFC-MRVPVSSYSA-N -1 224.212 BD 1.657 0 Anodyne ref BDAARM CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)[O-] Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N ZINC000002755987 32/81/75/180328175 PDNJFIXANVYXLB-UHFFFAOYSA-N 0 232.243 BD 1.98 0 Bother ref BDBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N CCOC(=O)c1cccc(NC(=S)NC)c1 ZINC000002887177 29/86/97/170298697 AKTQEAIUSXLEFX-UHFFFAOYSA-N 0 238.312 BD 1.779 0 Anodyne ref BDAARN CCOC(=O)c1cccc(NC(=S)NC)c1 CNC(=S)Nc1ccc2c(c1)OCO2 ZINC000002905051 31/70/58/173317058 PJFISILCFOJOMR-UHFFFAOYSA-N 0 210.258 BD 1.331 0 Anodyne ref BDAARN CNC(=S)Nc1ccc2c(c1)OCO2 O=C1NC(=O)/C(=C/c2ccccc2Cl)N1 ZINC000002954569 72/88/05/342728805 CVCARONLQOISKW-YVMONPNESA-N 0 222.631 BD 1.52 1 Anodyne mid BDAAMN O=C1NC(=O)/C(=C/c2ccccc2Cl)N1 O=C1NC(=O)/C(=C/c2ccccc2Cl)N1 ZINC000002954569 72/88/04/342728804 CVCARONLQOISKW-YVMONPNESA-N -1 222.631 BD 1.52 0 Anodyne ref BDAARM O=C1[N-]C(=O)/C(=C/c2ccccc2Cl)N1 O=C1NC(=O)/C(=C/c2cccc(Cl)c2)N1 ZINC000003093412 99/72/33/383997233 GUYDWDPNOQVEJB-YVMONPNESA-N 0 222.631 BD 1.52 1 Anodyne mid BDAAMN O=C1NC(=O)/C(=C/c2cccc(Cl)c2)N1 O=C1NC(=O)/C(=C/c2cccc(Cl)c2)N1 ZINC000003093412 99/72/25/383997225 GUYDWDPNOQVEJB-YVMONPNESA-N -1 222.631 BD 1.52 0 Anodyne ref BDAARM O=C1[N-]C(=O)/C(=C/c2cccc(Cl)c2)N1 Cc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 ZINC000003666178 73/63/20/342736320 QKJIWSYVUHMWAN-UHFFFAOYSA-N 0 248.238 BD 1.022 0 Clean ref BDCARN Cc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 N=C1NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 ZINC000003959748 20/68/93/181206893 ZGJCKMJSISHEGR-FPLPWBNLSA-N 0 245.263 BD 1.148 0 Anodyne ref BDAARN N=C1NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 C=CCN1C(=O)N/C(=C/c2ccccc2F)C1=O ZINC000004472464 35/10/07/166351007 BFEIPXXMOCKTGK-DHZHZOJOSA-N 0 246.241 BD 1.904 0 Mild ref BDEARN C=CCN1C(=O)N/C(=C/c2ccccc2F)C1=O CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)O ZINC000004519986 74/85/07/342748507 CSSQXZIEIAKRFC-QMMMGPOBSA-N -1 224.212 BD 1.657 0 Anodyne ref BDAARM CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)[O-] CC[C@@H](C)NC(=O)CSc1nnc(N)s1 ZINC000004520740 17/29/04/522172904 GJPVRXVTZKPXPO-RXMQYKEDSA-N 0 246.361 BD 1.127 0 Anodyne ref BDAARN CC[C@@H](C)NC(=O)CSc1nnc(N)s1 CC[C@H](C)NC(=O)CSc1nnc(N)s1 ZINC000004520741 32/77/31/171327731 GJPVRXVTZKPXPO-YFKPBYRVSA-N 0 246.361 BD 1.127 0 Anodyne ref BDAARN CC[C@H](C)NC(=O)CSc1nnc(N)s1 C/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 ZINC000004611282 74/96/12/342749612 HQCKILLUHIBFRM-SWGQDTFXSA-N 0 226.243 BD 1.924 0 Mild ref BDEARN CCN=Nc1nnc2c(n1)[nH]c1ccccc12 CCN1C(=O)N/C(=C/c2ccsc2)C1=O ZINC000004702430 60/76/30/346607630 YSJFNGPICGQHAH-VMPITWQZSA-N 0 222.269 BD 1.661 0 Anodyne ref BDAARN CCN1C(=O)N/C(=C/c2ccsc2)C1=O Cc1ccc2[nH]c(C(=O)N3CCOCC3)cc2c1 ZINC000004702592 24/72/31/187247231 KNXCLNKNFBBTHH-UHFFFAOYSA-N 0 244.294 BD 1.949 0 Anodyne ref BDAARN Cc1ccc2[nH]c(C(=O)N3CCOCC3)cc2c1 Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\O ZINC000004737922 27/16/96/178271696 YMCHTJDUDRVDIF-UHFFFAOYSA-N -1 221.172 BD 1.034 0 Mild ref BDEARM Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\[O-] Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=N\O ZINC000004737947 27/17/90/178271790 TXPJFTDJGBIQCE-FLIBITNWSA-N -1 235.199 BD 1.058 0 Mild ref BDEARM Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=N\[O-] Cc1ccc(/C=N\N=C2/NC(=O)CS2)s1 ZINC000004755132 08/11/61/384081161 ZAGQQCYYJRJTBK-WMZJFQQLSA-N 0 239.325 BD 1.609 0 Mild ref BDEARN Cc1ccc(/C=N\N=C2/NC(=O)CS2)s1 C(=N\N=C/c1ccccn1)\c1ccccn1 ZINC000004758418 23/03/65/166230365 DMQJTSJKMFPBMN-VULZFCBJSA-N 0 210.24 BD 1.93 0 Mild ref BDEARN C(=N\N=C/c1ccccn1)\c1ccccn1 COc1ccc(-c2cnn3cnnc3n2)cc1 ZINC000004776727 03/72/18/175037218 XFIVBCBTECXSMA-UHFFFAOYSA-N 0 227.227 BD 1.195 0 Anodyne ref BDAARN COc1ccc(-c2cnn3cnnc3n2)cc1 CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccco1 ZINC000004833773 75/31/00/342753100 DKABIGNSXWGDDT-JTQLQIEISA-N 0 245.242 BD 1.144 0 Mild ref BDEARN CC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccco1 CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccco1 ZINC000004833774 08/44/37/384084437 DKABIGNSXWGDDT-SNVBAGLBSA-N 0 245.242 BD 1.144 0 Mild ref BDEARN CC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccco1 Oc1ccccc1/C=N\N=c1/cccc[nH]1 ZINC000004974623 30/00/52/183300052 VZOPTEASQLBLJX-ZROIWOOFSA-N -1 213.24 BD 1.655 3 Mild high BDEAHM [O-]c1ccccc1C=NNc1ccccn1 Oc1ccccc1/C=N\N=c1/cccc[nH]1 ZINC000004974623 30/00/51/183300051 VZOPTEASQLBLJX-ZROIWOOFSA-N 0 213.24 BD 1.655 1 Mild mid BDEAMN Oc1ccccc1CN=Nc1ccccn1 Oc1ccccc1/C=N\N=c1/cccc[nH]1 ZINC000004974623 30/00/48/183300048 VZOPTEASQLBLJX-ZROIWOOFSA-N 0 213.24 BD 1.655 0 Mild ref BDEARN Oc1ccccc1C=NNc1ccccn1 CCc1nc2n(n1)[C@H](O)c1cc(N)ccc1S2 ZINC000004999103 01/53/15/172015315 WZKPDXVIKLRBHM-SNVBAGLBSA-N 0 248.311 BD 1.427 0 Anodyne ref BDAARN CCc1nc2n(n1)[C@H](O)c1cc(N)ccc1S2 CCc1nc2n(n1)[C@@H](O)c1cc(N)ccc1S2 ZINC000004999104 01/53/37/172015337 WZKPDXVIKLRBHM-JTQLQIEISA-N 0 248.311 BD 1.427 0 Anodyne ref BDAARN CCc1nc2n(n1)[C@@H](O)c1cc(N)ccc1S2 C/C=N/Nc1nnc2c3ccccc3n(C)c2n1 ZINC000005282696 10/86/97/384108697 AXNLHUQEZYMAPM-QLKAYGNNSA-N 0 240.27 BD 1.934 0 Mild ref BDEARN CCN=Nc1nnc2c3ccccc3n(C)c2n1 O=[N+]([O-])c1ccc(N/N=C/c2cccnc2)nc1 ZINC000005589194 93/37/68/182933768 BNMDYNAUIHWDCM-VGOFMYFVSA-N 0 243.226 BD 1.831 0 Mild ref BDEARN O=[N+]([O-])c1ccc(N=NCc2cccnc2)nc1 CN1C(=O)S/C(=C/c2ccco2)C1=O ZINC000005659734 76/77/51/342767751 FVRNDQWDLJVRMQ-FNORWQNLSA-N 0 209.226 BD 1.946 0 Anodyne ref BDAARN CN1C(=O)S/C(=C/c2ccco2)C1=O Cc1ccc2[nH]c3nc4nncn4nc3c2c1 ZINC000005730662 76/91/12/342769112 RJHLKJWYPPOQKT-UHFFFAOYSA-N 0 224.227 BD 1.462 1 Bother mid BDBAMN Cc1ccc2nc3nc4[nH]ncn4nc-3c2c1 Cc1ccc2[nH]c3nc4nncn4nc3c2c1 ZINC000005730662 76/91/10/342769110 RJHLKJWYPPOQKT-UHFFFAOYSA-N 0 224.227 BD 1.462 0 Bother ref BDBARN Cc1ccc2[nH]c3nc4nncn4nc3c2c1 Cc1ccsc1/C=C1/C(=O)N=C(N)N1C ZINC000005730827 53/37/03/179533703 VREKVIMZGWRAIS-ALCCZGGFSA-N 0 221.285 BD 1.184 0 Anodyne ref BDAARN Cc1ccsc1C=C1C(=O)N=C(N)N1C c1ccc2c(c1)[nH]c1nc3nncn3nc12 ZINC000005731713 04/60/08/385046008 QCZPWPJGDAKTPY-UHFFFAOYSA-N 0 210.2 BD 1.154 1 Bother mid BDBAMN c1ccc2c3nn4cn[nH]c4nc-3nc2c1 c1ccc2c(c1)[nH]c1nc3nncn3nc12 ZINC000005731713 04/59/96/385045996 QCZPWPJGDAKTPY-UHFFFAOYSA-N 0 210.2 BD 1.154 0 Bother ref BDBARN c1ccc2c(c1)[nH]c1nc3nncn3nc12 Nc1nc2nonc2nc1NNc1ccccc1 ZINC000005947420 33/63/29/351336329 NSCGWMPYNDSLCE-UHFFFAOYSA-N 0 243.23 BD 1.034 0 Anodyne ref BDAARN Nc1nc2nonc2[nH]c1=NNc1ccccc1 O=C1NC(=S)N=C(O)/C1=C/c1cccs1 ZINC000006093580 10/32/40/188103240 WCJYQNYSKWLZTR-UHFFFAOYSA-N -1 238.293 BD 1.503 1 Clean mid BDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccs1 O=C1NC(=S)N=C(O)/C1=C/c1cccs1 ZINC000006093580 10/32/39/188103239 WCJYQNYSKWLZTR-UHFFFAOYSA-N -1 238.293 BD 1.503 1 Clean mid BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cccs1 O=C1NC(=S)N=C(O)/C1=C/c1cccs1 ZINC000006093580 10/32/37/188103237 WCJYQNYSKWLZTR-UHFFFAOYSA-N -1 238.293 BD 1.503 1 Clean mid BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cccs1 O=C1NC(=S)N=C(O)/C1=C/c1cccs1 ZINC000006093580 10/32/35/188103235 WCJYQNYSKWLZTR-UHFFFAOYSA-N 0 238.293 BD 1.503 0 Clean ref BDCARN O=C1NC(=S)NC(=O)C1=Cc1cccs1 O=C(O)c1ccc(CSc2nnc[nH]2)cc1 ZINC000006492338 77/86/55/342778655 DJNSBDVLCREAQV-UHFFFAOYSA-N -1 235.268 BD 1.795 0 Anodyne ref BDAARM O=C([O-])c1ccc(CSc2nc[nH]n2)cc1 Cc1ccc(Cl)c2c1NC(=O)/C2=N\O ZINC000006556680 77/93/49/342779349 YKIILHOIUVUGLL-UHFFFAOYSA-N -1 210.62 BD 1.779 0 Mild ref BDEARM Cc1ccc(Cl)c2c1NC(=O)/C2=N\[O-] Cc1ccc(/C=C2/C(=O)N=C(N)N2C)s1 ZINC000006556915 35/63/45/178356345 UUMOBMXTNIALJL-YVMONPNESA-N 0 221.285 BD 1.184 0 Anodyne ref BDAARN Cc1ccc(C=C2C(=O)N=C(N)N2C)s1 Cc1cccc(/C=C2\SC(=N)NC2=O)n1 ZINC000006632550 00/29/60/179002960 YWXFFOYWESFOJB-YVMONPNESA-N 0 219.269 BD 1.529 0 Anodyne ref BDAARN Cc1cccc(/C=C2\SC(=N)NC2=O)n1 CCN1C(=O)N/C(=C/c2sccc2C)C1=O ZINC000006951098 94/75/85/169947585 UCNHMBNRGKVIQO-SOFGYWHQSA-N 0 236.296 BD 1.969 0 Anodyne ref BDAARN CCN1C(=O)N/C(=C/c2sccc2C)C1=O N#Cc1cccnc1SCC(=O)NC1CC1 ZINC000007051515 15/41/92/181154192 MLQWIISYDUXUQV-UHFFFAOYSA-N 0 233.296 BD 1.324 0 Mild ref BDEARN N#Cc1cccnc1SCC(=O)NC1CC1 Oc1ccc(/C=N/Nc2ccccn2)c(O)c1O ZINC000008036154 26/65/34/183266534 XQBCETQWALHRRP-VGOFMYFVSA-N 0 245.238 BD 1.644 1 Mild mid BDEAMN Oc1ccc(CN=Nc2ccccn2)c(O)c1O Oc1ccc(/C=N/Nc2ccccn2)c(O)c1O ZINC000008036154 26/65/33/183266533 XQBCETQWALHRRP-VGOFMYFVSA-N 0 245.238 BD 1.644 0 Mild ref BDEARN Oc1ccc(C=NNc2ccccn2)c(O)c1O C#CCSc1nnc(-c2ccccc2)c(O)n1 ZINC000008607227 05/20/88/188052088 IYVDBGOPIFHJPC-UHFFFAOYSA-N 0 243.291 BD 1.969 2 Mild low BDEALN C#CCSc1nnc(-c2ccccc2)c(=O)[nH]1 C#CCSc1nnc(-c2ccccc2)c(O)n1 ZINC000008607227 05/20/87/188052087 IYVDBGOPIFHJPC-UHFFFAOYSA-N -1 243.291 BD 1.969 0 Mild ref BDEARM C#CCSc1nnc(-c2ccccc2)c(=O)[n-]1 O=C1N=C(O)/C(=C\C=C\c2ccco2)C(=O)N1 ZINC000008994583 80/67/58/342806758 PRGJOMANJQAXIH-HNQUOIGGSA-N 0 232.195 BD 1.425 1 Clean mid BDCAMN O=C1NC(=O)C(=CC=Cc2ccco2)C(=O)N1 in-vitro O=C1N=C(O)/C(=C\C=C\c2ccco2)C(=O)N1 ZINC000008994583 80/67/54/342806754 PRGJOMANJQAXIH-HNQUOIGGSA-N -1 232.195 BD 1.425 0 Clean ref BDCARM O=C1[N-]C(=O)C(=CC=Cc2ccco2)C(=O)N1 in-vitro Cc1cc(=O)[nH]c(=O)n1-c1cccc(Cl)c1 ZINC000009024563 13/34/91/373133491 OFFJTCATHLKOHE-UHFFFAOYSA-N 0 236.658 BD 1.488 0 Anodyne ref BDAARN Cc1cc(=O)[nH]c(=O)n1-c1cccc(Cl)c1 C=CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000009038910 80/72/35/342807235 AMUXEICCQPAHAS-UHFFFAOYSA-N 0 204.229 BD 1.769 0 Anodyne ref BDAARN C=CC(=O)Nc1ccc(NC(C)=O)cc1 Cc1ccc(-n2c(C)cc(=O)[nH]c2=O)cc1F ZINC000009189667 34/47/39/178344739 HXNQEXXBHVHOFQ-UHFFFAOYSA-N 0 234.23 BD 1.282 0 Anodyne ref BDAARN Cc1ccc(-n2c(C)cc(=O)[nH]c2=O)cc1F NC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 ZINC000009265636 24/82/76/181248276 YYXMZJQPWILXHU-AATRIKPKSA-N 0 245.238 BD 1.374 0 Bother ref BDBARN NC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 CCN1C(=O)N/C(=C/c2ccccc2)C1=O ZINC000009323439 71/94/75/346719475 HMWZOBPVMZUEJY-CSKARUKUSA-N 0 216.24 BD 1.599 0 Anodyne ref BDAARN CCN1C(=O)N/C(=C/c2ccccc2)C1=O CCc1ccc(/C=C2/NC(=O)NC2=O)cc1 ZINC000012341588 89/32/17/346893217 BIMOFWFUMGSUSW-JXMROGBWSA-N 0 216.24 BD 1.429 1 Anodyne mid BDAAMN CCc1ccc(/C=C2/NC(=O)NC2=O)cc1 CCc1ccc(/C=C2/NC(=O)NC2=O)cc1 ZINC000012341588 89/32/10/346893210 BIMOFWFUMGSUSW-JXMROGBWSA-N -1 216.24 BD 1.429 0 Anodyne ref BDAARM CCc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 C#CCN1C(=O)S/C(=C/c2cccn2C)C1=O ZINC000012341781 83/74/40/355837440 XAKIANVWVARBDU-CSKARUKUSA-N 0 246.291 BD 1.695 0 Mild ref BDEARN C#CCN1C(=O)S/C(=C/c2cccn2C)C1=O CN1C(=O)S/C(=C/c2cccn2C)C1=O ZINC000012341794 97/09/93/172970993 SIKDPOIPZLCTSF-SOFGYWHQSA-N 0 222.269 BD 1.691 0 Anodyne ref BDAARN CN1C(=O)S/C(=C/c2cccn2C)C1=O