Fc1cnc(N2CCCCC2)nc1N1CCCCC1 ZINC000000041594 51/53/57/371515357 VYPASFBYUHIMCW-UHFFFAOYSA-N 0 264.348 CF 2.596 0 Anodyne ref CFAARN Fc1cnc(N2CCCCC2)nc1N1CCCCC1 CCOC(=O)c1sc2nc(C)cc(COC)c2c1N ZINC000000060625 52/21/04/169522104 IHGUDXGXQBPTRQ-UHFFFAOYSA-N 0 280.349 CF 2.51 0 Clean ref CFCARN CCOC(=O)c1sc2nc(C)cc(COC)c2c1N Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccncc1 ZINC000000070514 52/18/68/371521868 WPFNTXNTVMTIBP-MDWZMJQESA-N -1 282.303 CF 2.51 3 Anodyne high CFAAHM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccncc1 Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccncc1 ZINC000000070514 52/18/62/371521862 WPFNTXNTVMTIBP-MDWZMJQESA-N -1 282.303 CF 2.51 1 Anodyne mid CFAAMM Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1cc[nH+]cc1 Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccncc1 ZINC000000070514 52/18/51/371521851 WPFNTXNTVMTIBP-MDWZMJQESA-N 1 282.303 CF 2.51 0 Anodyne ref CFAARO Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cc[nH+]cc1 CCSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 ZINC000000086164 44/63/40/393446340 APEIAUZVEANTJK-MRVPVSSYSA-N 0 274.349 CF 2.801 0 Anodyne ref CFAARN CCSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 CCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 ZINC000000086167 52/65/33/371526533 APEIAUZVEANTJK-QMMMGPOBSA-N 0 274.349 CF 2.801 0 Anodyne ref CFAARN CCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1cccnc1 ZINC000000110556 53/28/73/371532873 WTDRTWDLEWGWSV-NTUHNPAUSA-N 0 282.303 CF 2.51 1 Anodyne mid CFAAMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1cccnc1 Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1cccnc1 ZINC000000110556 53/28/70/371532870 WTDRTWDLEWGWSV-NTUHNPAUSA-N -1 282.303 CF 2.51 0 Anodyne ref CFAARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cccnc1 Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1 ZINC000000110574 53/26/53/371532653 UTFJAGULVKXJSH-OQLLNIDSSA-N 0 295.342 CF 2.583 1 Clean mid CFCAMN Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1 Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1 ZINC000000110574 53/26/49/371532649 UTFJAGULVKXJSH-OQLLNIDSSA-N -1 295.342 CF 2.583 0 Clean ref CFCARM Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)[N-]C3=O)c2C)cc1 N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000000117201 61/25/26/263612526 SIAMCDIHXZUXRD-XNTDXEJSSA-N 0 278.311 CF 2.658 0 Reactive ref CFGARN N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12 ZINC000000121033 91/51/18/282915118 NRCLELLRAKOLNL-UHFFFAOYSA-N 0 264.21 CF 2.81 0 Anodyne ref CFAARN FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12 COc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000000123228 53/55/53/371535553 DDNNZKJKIZHOQS-UHFFFAOYSA-N 0 287.315 CF 2.965 0 Anodyne ref CFAARN COc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 CCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2ccccc21 ZINC000000134951 54/91/33/169549133 OELBWGPKJUXMFZ-SFHVURJKSA-N 0 295.338 CF 2.514 0 Anodyne ref CFAARN CCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2ccccc21 CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 ZINC000000134954 53/98/67/371539867 OELBWGPKJUXMFZ-GOSISDBHSA-N 0 295.338 CF 2.514 0 Anodyne ref CFAARN CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 CC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 ZINC000000160051 54/50/99/371545099 SLEBXKXETYXJOG-UHFFFAOYSA-N 0 264.741 CF 2.928 0 Anodyne ref CFAARN CC1=CSc2nnc(-c3ccc(Cl)cc3)n2N1 Cc1cc(/C=N/O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000000176949 54/95/37/371549537 GANXSDYZUKEOFA-MHWRWJLKSA-N 1 257.337 CF 2.968 2 Mild low CFEALO Cc1cc(/C=N/O)c(C)n1-c1ccc([NH+](C)C)cc1 Cc1cc(/C=N/O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000000176949 54/95/25/371549525 GANXSDYZUKEOFA-MHWRWJLKSA-N 0 257.337 CF 2.968 0 Mild ref CFEARN Cc1cc(/C=N/O)c(C)n1-c1ccc(N(C)C)cc1 CSc1nnc2c(n1)OC(C)(C)Nc1ccccc1-2 ZINC000000193025 55/51/83/371555183 BJNSUBMCWGKDEC-UHFFFAOYSA-N 0 274.349 CF 2.801 0 Anodyne ref CFAARN CSc1nnc2c(n1)OC(C)(C)Nc1ccccc1-2 COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1 ZINC000000199331 55/63/32/371556332 ZNGNTJBDHZOFFB-RVDMUPIBSA-N 0 294.31 CF 2.793 0 Anodyne ref CFAARN COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1 O=C1N/C(=C/c2ccco2)C(=O)N1Cc1ccc(F)cc1 ZINC000000203074 57/35/16/169573516 FHWBVXUEKFYIJP-MDWZMJQESA-N 0 286.262 CF 2.512 0 Anodyne ref CFAARN O=C1N/C(=C/c2ccco2)C(=O)N1Cc1ccc(F)cc1 N#C/C(=C\c1cccs1)C(=O)NCc1ccco1 ZINC000000227327 61/51/36/263615136 KIHCJUMGRQAAHK-JXMROGBWSA-N 0 258.302 CF 2.564 0 Reactive ref CFGARN N#C/C(=C\c1cccs1)C(=O)NCc1ccco1 CC/C(C)=N/Nc1nnc2c(n1)[nH]c1ccccc12 ZINC000000248216 56/83/19/371568319 XFGIMZVHKWNJSZ-LZYBPNLTSA-N 0 254.297 CF 2.704 0 Mild ref CFEARN CCC(C)N=Nc1nnc2c(n1)[nH]c1ccccc12 O=C1C(=Cc2cccc(O)c2)C(=O)c2ccccc21 ZINC000000294551 01/94/36/285019436 XUEIWMCKQMXPMI-UHFFFAOYSA-N 0 250.253 CF 2.855 0 Mild ref CFEARN O=C1C(=Cc2cccc(O)c2)C(=O)c2ccccc21 CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C)s1 ZINC000000365832 59/70/87/371597087 BGVULWURTRTEKK-LBPRGKRZSA-N 0 294.376 CF 2.59 0 Anodyne ref CFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C)s1 CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C)s1 ZINC000000365835 59/73/70/371597370 BGVULWURTRTEKK-GFCCVEGCSA-N 0 294.376 CF 2.59 0 Anodyne ref CFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C)s1 CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccccc1)C(=O)N2 ZINC000000365856 59/71/19/371597119 RRFZUXDTFSJJKR-SFHVURJKSA-N 0 295.338 CF 2.662 0 Anodyne ref CFAARN CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccccc1)C(=O)N2 CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1)C(=O)N2 ZINC000000365858 59/70/96/371597096 RRFZUXDTFSJJKR-GOSISDBHSA-N 0 295.338 CF 2.662 0 Anodyne ref CFAARN CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1)C(=O)N2 CCSc1nnc2c(n1)OC=Nc1ccccc1-2 ZINC000000365878 51/38/58/276513858 ATQITKNFSRGWRP-UHFFFAOYSA-N 0 258.306 CF 2.703 0 Clean ref CFCARN CCSc1nnc2c(n1)OC=Nc1ccccc1-2 CC[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000000368819 64/26/98/276642698 YTDUYMSACWVVTD-JTQLQIEISA-N 0 274.349 CF 2.801 0 Anodyne ref CFAARN CC[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 CC[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000000368822 59/41/23/276594123 YTDUYMSACWVVTD-SNVBAGLBSA-N 0 274.349 CF 2.801 0 Anodyne ref CFAARN CC[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 Cc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000000379374 60/06/38/371600638 RMADRUATHQHFPU-NTEUORMPSA-N 0 282.299 CF 2.681 0 Anodyne ref CFAARN Cc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 O=C1N/C(=C/c2ccsc2)C(=O)N1c1ccccc1 ZINC000000382368 60/01/71/371600171 RDFXCMOFAWXGGE-XYOKQWHBSA-N 0 270.313 CF 2.845 0 Anodyne ref CFAARN O=C1NC(=Cc2ccsc2)C(=O)N1c1ccccc1 Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(N)=O)c2C)cc1 ZINC000000442057 78/28/31/263782831 PBCKHSXOYIJSTP-OQLLNIDSSA-N 0 279.343 CF 2.795 0 Reactive ref CFGARN Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(N)=O)c2C)cc1 N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(F)cc1 ZINC000000445235 78/97/40/263789740 QJLCQAXVOVJXEJ-XYOKQWHBSA-N 0 267.263 CF 2.766 0 Reactive ref CFGARN N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(F)cc1 Cc1cc(/C=N/NC(N)=S)c(C)n1C1CCCCC1 ZINC000000447489 61/69/71/371616971 SATHLIJQANVKDR-CXUHLZMHSA-N 0 278.425 CF 2.777 0 Mild ref CFEARN Cc1cc(/C=N/NC(N)=S)c(C)n1C1CCCCC1 Fc1ccc(COc2ccc(/C=N/n3cnnc3)cc2)cc1 ZINC000000450712 61/85/90/371618590 VKTRVJYBVLTUAG-AWQFTUOYSA-N 0 296.305 CF 2.878 0 Mild ref CFEARN Fc1ccc(COc2ccc(/C=N/n3cnnc3)cc2)cc1 Clc1ccc(-n2cccc2/C=N/n2cnnc2)cc1 ZINC000000452552 61/80/71/371618071 VBVPJRDJINRONV-CAOOACKPSA-N 0 271.711 CF 2.604 0 Mild ref CFEARN Clc1ccc(-n2cccc2/C=N/n2cnnc2)cc1 COC(=O)c1ccc(/C=C2\N=C(SC)SC2=O)cc1 ZINC000000457992 61/99/02/371619902 ISBSTOOREWIMFJ-YFHOEESVSA-N 0 293.369 CF 2.807 0 Mild ref CFEARN COC(=O)c1ccc(/C=C2\N=C(SC)SC2=O)cc1 aggregator CSC1=N/C(=C\c2ccc(OC(C)=O)cc2)C(=O)S1 ZINC000000458043 62/00/35/371620035 TWQHFZBVRACGIA-XFFZJAGNSA-N 0 293.369 CF 2.945 0 Mild ref CFEARN CSC1=N/C(=C\c2ccc(OC(C)=O)cc2)C(=O)S1 CSC1=N/C(=C\c2cccc(OC(C)=O)c2)C(=O)S1 ZINC000000458231 62/01/93/371620193 AULGLEWUKPVCFM-XFFZJAGNSA-N 0 293.369 CF 2.945 0 Mild ref CFEARN CSC1=N/C(=C\c2cccc(OC(C)=O)c2)C(=O)S1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000000458536 62/03/48/371620348 PXLQWELVNYBRRK-OAHLLOKOSA-N 0 296.326 CF 2.641 1 Anodyne mid CFAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc2ccccc2c1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000000458536 62/03/43/371620343 PXLQWELVNYBRRK-OAHLLOKOSA-N 0 296.326 CF 2.641 0 Anodyne ref CFAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2ccccc2c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000000458537 61/96/14/371619614 PXLQWELVNYBRRK-HNNXBMFYSA-N 0 296.326 CF 2.641 1 Anodyne mid CFAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc2ccccc2c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000000458537 61/96/04/371619604 PXLQWELVNYBRRK-HNNXBMFYSA-N 0 296.326 CF 2.641 0 Anodyne ref CFAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2ccccc2c1 O=C(NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000460381 64/65/97/169646597 XEVAPEULJLQLAA-UHFFFAOYSA-N 0 256.261 CF 2.525 0 Bother ref CFBARN O=C(NCc1ccccc1)c1cccc([N+](=O)[O-])c1 COC(=O)c1ccccc1-c1ccc(/C=C/[N+](=O)[O-])o1 ZINC000000465719 62/34/22/371623422 BFRHKXCHHSREIY-CMDGGOBGSA-N 0 273.244 CF 2.981 0 Bother ref CFBARN COC(=O)c1ccccc1-c1ccc(/C=C/[N+](=O)[O-])o1 Cc1ccc(-n2cccc2/C=N/n2cnnc2)cc1Cl ZINC000000469137 62/28/92/371622892 ZHMMEPDYGPMYLJ-QGMBQPNBSA-N 0 285.738 CF 2.913 0 Mild ref CFEARN Cc1ccc(-n2cccc2/C=N/n2cnnc2)cc1Cl Cc1ccc(N(C)C2=NC(=O)CS2)cc1Cl ZINC000000471801 36/61/62/230366162 ORQLETZLSXPGHW-UHFFFAOYSA-N -1 254.742 CF 2.714 3 Anodyne high CFAAHM Cc1ccc(N(C)c2nc([O-])cs2)cc1Cl Cc1ccc(N(C)C2=NC(=O)CS2)cc1Cl ZINC000000471801 36/61/61/230366161 ORQLETZLSXPGHW-UHFFFAOYSA-N 0 254.742 CF 2.714 0 Anodyne ref CFAARN Cc1ccc(N(C)C2=NC(=O)CS2)cc1Cl Cc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 ZINC000000472563 62/50/13/371625013 PXSZMMUKDQJRQY-UKTHLTGXSA-N -1 268.272 CF 2.685 3 Anodyne high CFAAHM Cc1ccc(/C=C2/[N-]C(=O)N(c3ccccc3)C2=O)o1 Cc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 ZINC000000472563 62/50/08/371625008 PXSZMMUKDQJRQY-UKTHLTGXSA-N 0 268.272 CF 2.685 0 Anodyne ref CFAARN Cc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccccn1 ZINC000000473927 62/42/73/371624273 HWVJXKOBZHVQIQ-XYOKQWHBSA-N 0 282.303 CF 2.51 1 Clean mid CFCAMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccccn1 Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccccn1 ZINC000000473927 62/42/63/371624263 HWVJXKOBZHVQIQ-XYOKQWHBSA-N -1 282.303 CF 2.51 0 Clean ref CFCARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccccn1 CCc1ccccc1/N=C/c1ccc(OCC(N)=O)cc1 ZINC000000561174 64/07/83/371640783 HABXJBIIGCMGGR-YBFXNURJSA-N 0 282.343 CF 2.864 0 Mild ref CFEARN CCc1ccccc1/N=C/c1ccc(OCC(N)=O)cc1 N#C/C(=C\c1ccsc1)C(=O)Nc1ccc(O)cc1 ZINC000000563853 79/06/55/263790655 GZAHJCKSTZJLGB-YRNVUSSQSA-N 0 270.313 CF 2.999 0 Reactive ref CFGARN N#C/C(=C\c1ccsc1)C(=O)Nc1ccc(O)cc1 Cn1cccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 ZINC000000563922 78/54/08/263785408 XUDBRPFMUFPZLZ-PKNBQFBNSA-N 0 269.279 CF 2.71 0 Reactive ref CFGARN Cn1cccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 CSc1nnc2c(n1)OC(C)=Nc1ccccc1-2 ZINC000000613741 64/52/14/371645214 PRZUAWFPYCKHHY-UHFFFAOYSA-N 0 258.306 CF 2.703 0 Clean ref CFCARN CSc1nnc2c(n1)OC(C)=Nc1ccccc1-2 Cc1ccc(S(=O)(=O)Cc2ccsc2[N+](=O)[O-])cc1 ZINC000000617163 67/58/75/169675875 MGNUQYIEXBJWJS-UHFFFAOYSA-N 0 297.357 CF 2.939 0 Bother ref CFBARN Cc1ccc(S(=O)(=O)Cc2ccsc2[N+](=O)[O-])cc1 CSc1nnc2c(n1)OC=Nc1ccc(Cl)cc1-2 ZINC000000618274 64/73/43/371647343 QZBYVRJLWSUTDN-UHFFFAOYSA-N 0 278.724 CF 2.966 0 Clean ref CFCARN CSc1nnc2c(n1)OC=Nc1ccc(Cl)cc1-2 CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12 ZINC000000618432 18/14/92/278181492 BVZCKUDTVAXMCB-UHFFFAOYSA-N 0 250.714 CF 2.881 0 Anodyne ref CFAARN CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12 CCOC(=O)c1ccc(CSc2nnc(N)s2)cc1 ZINC000000620564 64/73/05/371647305 YHOZDUYHFDONGD-UHFFFAOYSA-N 0 295.389 CF 2.589 0 Anodyne ref CFAARN CCOC(=O)c1ccc(CSc2nnc(N)s2)cc1 O=C(O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 ZINC000000794910 67/85/28/169678528 GYPSGNAGQGKINP-BQYQJAHWSA-N -1 259.217 CF 2.892 0 Anodyne ref CFAARM O=C([O-])c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 COc1cc(N2CCCC2)c(OC)cc1C=C(C#N)C#N ZINC000000798112 77/67/02/263776702 VDZIZJSJGBHJDN-UHFFFAOYSA-N 0 283.331 CF 2.735 0 Reactive ref CFGARN COc1cc(N2CCCC2)c(OC)cc1C=C(C#N)C#N COc1cc(N2CCCC2)ccc1C=C(C#N)C#N ZINC000000809815 77/66/91/263776691 BHKQMKQXPWRLTQ-UHFFFAOYSA-N 0 253.305 CF 2.726 0 Reactive ref CFGARN COc1cc(N2CCCC2)ccc1C=C(C#N)C#N Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccncc1 ZINC000001008088 65/63/67/371656367 PAOWMUJXGOUFQL-MDWZMJQESA-N -1 299.355 CF 2.813 3 Anodyne high CFAAHM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccncc1 Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccncc1 ZINC000001008088 65/63/58/371656358 PAOWMUJXGOUFQL-MDWZMJQESA-N 0 299.355 CF 2.813 1 Anodyne mid CFAAMN Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cc[nH+]cc1 Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccncc1 ZINC000001008088 65/63/46/371656346 PAOWMUJXGOUFQL-MDWZMJQESA-N 1 299.355 CF 2.813 0 Anodyne ref CFAARO Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cc[nH+]cc1 COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001010503 65/66/94/371656694 FBRWIKVIXJTVFD-RVDMUPIBSA-N 0 294.31 CF 2.793 0 Anodyne ref CFAARN COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 CSc1nc2nc(C)cc(-c3ccccc3)n2n1 ZINC000001066824 53/53/07/397535307 BLMBLSAMZLOVEZ-UHFFFAOYSA-N 0 256.334 CF 2.822 0 Anodyne ref CFAARN CSc1nc2nc(C)cc(-c3ccccc3)n2n1 CN(C)c1ccc(/N=C/c2ccc(O)cc2O)cc1 ZINC000001093411 66/25/80/371662580 SQAAJBIKFNALQJ-MHWRWJLKSA-N -1 256.305 CF 2.914 3 Mild high CFEAHM CN(C)c1ccc(/N=C/c2ccc(O)cc2[O-])cc1 CN(C)c1ccc(/N=C/c2ccc(O)cc2O)cc1 ZINC000001093411 66/25/76/371662576 SQAAJBIKFNALQJ-MHWRWJLKSA-N -1 256.305 CF 2.914 3 Mild high CFEAHM CN(C)c1ccc(/N=C/c2ccc([O-])cc2O)cc1 CN(C)c1ccc(/N=C/c2ccc(O)cc2O)cc1 ZINC000001093411 66/25/60/371662560 SQAAJBIKFNALQJ-MHWRWJLKSA-N 0 256.305 CF 2.914 0 Mild ref CFEARN CN(C)c1ccc(/N=C/c2ccc(O)cc2O)cc1 C#CCN1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O ZINC000001114775 91/41/51/526914151 QBBYMCQMRKUBHT-UKTHLTGXSA-N 0 288.372 CF 2.794 0 Mild ref CFEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O C#CCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000001144002 71/70/48/275717048 VVOZNOSJAXKOFQ-JLHYYAGUSA-N 0 287.34 CF 2.755 0 Mild ref CFEARN C#CCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O C#CCN1C(=O)S/C(=C/c2sccc2C)C1=O ZINC000001146856 66/35/29/371663529 TVKIEWPCENQEQD-JXMROGBWSA-N 0 263.343 CF 2.726 0 Mild ref CFEARN C#CCN1C(=O)S/C(=C/c2sccc2C)C1=O C#CCN1C(=O)S/C(=C/c2ccccc2C)C1=O ZINC000001154914 69/06/26/169690626 WTCMCXYENADLMI-FMIVXFBMSA-N 0 257.314 CF 2.665 0 Mild ref CFEARN C#CCN1C(=O)S/C(=C/c2ccccc2C)C1=O C#CCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O ZINC000001164714 78/28/55/276782855 IREIBZMYMUIFCJ-FMIVXFBMSA-N 0 257.314 CF 2.665 0 Mild ref CFEARN C#CCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O O=C1NC(=S)S/C1=C/c1ccc(N2CCCC2)cc1 ZINC000001175528 35/98/30/296359830 GVOAQAWEVWVUNU-FMIVXFBMSA-N -1 290.413 CF 2.776 1 Clean mid CFCAMM O=C1[N-]C(=S)S/C1=C/c1ccc(N2CCCC2)cc1 O=C1NC(=S)S/C1=C/c1ccc(N2CCCC2)cc1 ZINC000001175528 35/98/29/296359829 GVOAQAWEVWVUNU-FMIVXFBMSA-N 0 290.413 CF 2.776 0 Clean ref CFCARN O=C1NC(=S)S/C1=C/c1ccc(N2CCCC2)cc1 CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000001184034 66/35/42/371663542 QCGNQESSEILMCJ-UITAMQMPSA-N 0 298.707 CF 2.914 0 Bother ref CFBARN CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O C#CCn1cc(/C=C2\SC(=O)N(C)C2=O)c2ccccc21 ZINC000001186203 66/34/52/371663452 VWQWQHZCGKLYCX-ZROIWOOFSA-N 0 296.351 CF 2.941 0 Mild ref CFEARN C#CCn1cc(/C=C2\SC(=O)N(C)C2=O)c2ccccc21 CSc1ccc(/C=C2/SC(=O)NC2=O)cc1 ZINC000001188743 66/26/35/371662635 CVDCRGZIPLYTEX-RMKNXTFCSA-N -1 251.332 CF 2.732 1 Anodyne mid CFAAMM CSc1ccc(C=C2SC(=O)[N-]C2=O)cc1 CSc1ccc(/C=C2/SC(=O)NC2=O)cc1 ZINC000001188743 66/26/15/371662615 CVDCRGZIPLYTEX-RMKNXTFCSA-N 0 251.332 CF 2.732 0 Anodyne ref CFAARN CSc1ccc(C=C2SC(=O)NC2=O)cc1 CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O ZINC000001198129 66/04/47/282660447 MEXFQPVQKDEXKP-UITAMQMPSA-N -1 269.709 CF 2.712 1 Anodyne mid CFAAMM CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O ZINC000001198129 66/04/43/282660443 MEXFQPVQKDEXKP-UITAMQMPSA-N 0 269.709 CF 2.712 0 Anodyne ref CFAARN CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O COc1ccc(/C=C/C=C2/SC(=S)NC2=O)cc1 ZINC000001210131 39/88/95/277398895 DZJNBSVRWKLBRF-TTWWKFCBSA-N -1 277.37 CF 2.74 1 Clean mid CFCAMM COc1ccc(C=CC=C2SC(=S)[N-]C2=O)cc1 COc1ccc(/C=C/C=C2/SC(=S)NC2=O)cc1 ZINC000001210131 39/88/94/277398894 DZJNBSVRWKLBRF-TTWWKFCBSA-N 0 277.37 CF 2.74 0 Clean ref CFCARN COc1ccc(C=CC=C2SC(=S)NC2=O)cc1 Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccnc1 ZINC000001220337 66/18/94/371661894 DWPKXQFOGUNIMX-QPEQYQDCSA-N -1 299.355 CF 2.813 1 Anodyne mid CFAAMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccnc1 Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccnc1 ZINC000001220337 66/18/74/371661874 DWPKXQFOGUNIMX-QPEQYQDCSA-N 0 299.355 CF 2.813 0 Anodyne ref CFAARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccnc1 Sc1nnc(-c2ccccc2)n1/N=C/c1ccco1 ZINC000001301868 79/42/91/326794291 DRVAQVMLKHKTRJ-NTEUORMPSA-N 0 270.317 CF 2.709 0 Mild ref CFEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccco1 C=CCSc1nnc2c3ccccc3n(C)c2n1 ZINC000002025110 71/36/21/371713621 SORRWNRUAIHAAK-UHFFFAOYSA-N 0 256.334 CF 2.795 0 Mild ref CFEARN C=CCSc1nnc2c3ccccc3n(C)c2n1 C=CCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 ZINC000002073784 71/55/28/371715528 UCOFSZWVQPYWID-VIFPVBQESA-N 0 286.36 CF 2.967 0 Mild ref CFEARN C=CCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 C=CCSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 ZINC000002073785 71/48/48/371714848 UCOFSZWVQPYWID-SECBINFHSA-N 0 286.36 CF 2.967 0 Mild ref CFEARN C=CCSc1nnc2c(n1)O[C@H](C)Nc1ccccc1-2 COc1cc(/C=C2/SC(=S)N=C2O)cc(OC)c1O ZINC000002536873 80/51/02/169805102 PCIQZJDFKLRXIO-WEVVVXLNSA-N -1 297.357 CF 2.739 1 Anodyne mid CFAAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1O COc1cc(/C=C2/SC(=S)N=C2O)cc(OC)c1O ZINC000002536873 80/51/01/169805101 PCIQZJDFKLRXIO-WEVVVXLNSA-N 0 297.357 CF 2.739 0 Anodyne ref CFAARN COc1cc(C=C2SC(=S)NC2=O)cc(OC)c1O N=C1NC(=O)/C(=C/c2ccc(Br)s2)S1 ZINC000002741366 26/94/69/283269469 ZIPAIQOBDHTQMB-HYXAFXHYSA-N 0 289.179 CF 2.649 0 Anodyne ref CFAARN N=C1NC(=O)/C(=C/c2ccc(Br)s2)S1 CC(C)Sc1nnc2nc3c(nn12)c1ccccc1n3C ZINC000002742444 74/93/54/371749354 NSGPXDWWOWXLQT-UHFFFAOYSA-N 0 298.375 CF 2.665 0 Bother ref CFBARN CC(C)Sc1nnc2nc3c(nn12)c1ccccc1n3C O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)cc2)N1 ZINC000002814877 85/72/46/284857246 QIYDZMXXQWNWHJ-UVTDQMKNSA-N 0 264.284 CF 2.534 1 Anodyne mid CFAAMN O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)cc2)N1