smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(Cc1cccc(C(=O)[O-])c1C#N)C[C@H]1CCCCO1 ZINC001595899094 982947545 /nfs/dbraw/zinc/94/75/45/982947545.db2.gz COSBMNGAFMEMMZ-OAHLLOKOSA-N -1 1 316.401 3.038 20 30 DGEDMM C#C[C@H](NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1F ZINC001588376945 983354654 /nfs/dbraw/zinc/35/46/54/983354654.db2.gz HJWHIYVUOJAQRJ-QHAMSDLMSA-N -1 1 309.768 3.386 20 30 DGEDMM COc1ccc(C(=O)[O-])cc1CNC(C)(C)c1cccc(C#N)c1 ZINC001599501060 997121778 /nfs/dbraw/zinc/12/17/78/997121778.db2.gz PPEVCLDIMMYIHE-UHFFFAOYSA-N -1 1 324.380 3.290 20 30 DGEDMM C=CC[C@H](Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1)C(=O)OC ZINC001169844443 1081662388 /nfs/dbraw/zinc/66/23/88/1081662388.db2.gz KJLJGNQFDYVYLI-MEBUONCMSA-N -1 1 316.279 3.043 20 30 DGEDMM CSc1nc(-c2ccc([O-])c(C#N)c2)cc(C(F)(F)F)n1 ZINC001242562355 1081868936 /nfs/dbraw/zinc/86/89/36/1081868936.db2.gz UMHMETMGUBFUOS-UHFFFAOYSA-N -1 1 311.288 3.462 20 30 DGEDMM CN1CCc2c(C#N)c(Nc3ccccc3C(=O)[O-])sc2C1 ZINC001210970455 1082053521 /nfs/dbraw/zinc/05/35/21/1082053521.db2.gz YFVBIBAUHWXKRO-UHFFFAOYSA-N -1 1 313.382 3.049 20 30 DGEDMM COc1cc(C(F)(F)F)c(C#N)c(-c2cccc([O-])c2F)n1 ZINC001243540904 1082397433 /nfs/dbraw/zinc/39/74/33/1082397433.db2.gz AAEDBEBPLBFAOP-UHFFFAOYSA-N -1 1 312.222 3.492 20 30 DGEDMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001181781529 1083539158 /nfs/dbraw/zinc/53/91/58/1083539158.db2.gz TVHADWVGZFLTMU-SNVBAGLBSA-N -1 1 316.744 3.323 20 30 DGEDMM N#Cc1ccc2c(c1)CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685808 1084196714 /nfs/dbraw/zinc/19/67/14/1084196714.db2.gz XWFFWKYMWTXHKA-UHFFFAOYSA-N -1 1 300.308 3.100 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185222757 1084385086 /nfs/dbraw/zinc/38/50/86/1084385086.db2.gz XONIAOPAJUZQDJ-UHFFFAOYSA-N -1 1 324.361 3.124 20 30 DGEDMM Cc1cc([O-])ccc1C(=O)N=C(N)c1ccc2cc(O)ccc2c1 ZINC001186195086 1084607027 /nfs/dbraw/zinc/60/70/27/1084607027.db2.gz SRNBOYUMEKUKCS-UHFFFAOYSA-N -1 1 320.348 3.105 20 30 DGEDMM CC(C)(C)[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001186260712 1084621519 /nfs/dbraw/zinc/62/15/19/1084621519.db2.gz CWCLUIQCLJFHOQ-OCCSQVGLSA-N -1 1 324.446 3.282 20 30 DGEDMM CC(C)(C)[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001186260714 1084621902 /nfs/dbraw/zinc/62/19/02/1084621902.db2.gz CWCLUIQCLJFHOQ-TZMCWYRMSA-N -1 1 324.446 3.282 20 30 DGEDMM [O-]/N=C/c1cc(NCCOC(F)(F)F)cc(C(F)(F)F)c1 ZINC001168174654 1087020173 /nfs/dbraw/zinc/02/01/73/1087020173.db2.gz LWCYQBAKAKFUPY-KPSZGOFPSA-N -1 1 316.201 3.462 20 30 DGEDMM N#Cc1ccc(NC(=O)c2nc3c(cccc3F)s2)c([O-])c1 ZINC001152631733 1088025734 /nfs/dbraw/zinc/02/57/34/1088025734.db2.gz WVJOHDNZBITFLG-UHFFFAOYSA-N -1 1 313.313 3.265 20 30 DGEDMM CCCCCCCC[C@H](C)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001153872812 1088392177 /nfs/dbraw/zinc/39/21/77/1088392177.db2.gz UWLNMGDZMOOHQD-ZDUSSCGKSA-N -1 1 307.442 3.082 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1csc(CC(C)C)n1 ZINC001123336262 1088417343 /nfs/dbraw/zinc/41/73/43/1088417343.db2.gz FYWAZDLMZQOAQC-LLVKDONJSA-N -1 1 302.403 3.048 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1csc(CC(C)C)n1 ZINC001123336263 1088417865 /nfs/dbraw/zinc/41/78/65/1088417865.db2.gz FYWAZDLMZQOAQC-NSHDSACASA-N -1 1 302.403 3.048 20 30 DGEDMM COc1ccc2cc([O-])c(C(=O)N[C@H]3CC[C@H](C#N)CC3)cc2c1 ZINC001154754515 1088743095 /nfs/dbraw/zinc/74/30/95/1088743095.db2.gz IMADMXABCQLERT-NNUKFRKNSA-N -1 1 324.380 3.366 20 30 DGEDMM C#CCCOc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC001161179021 1089140324 /nfs/dbraw/zinc/14/03/24/1089140324.db2.gz IZZVVRKOWMPQLC-UHFFFAOYSA-N -1 1 316.744 3.095 20 30 DGEDMM CC(=O)c1cccc([O-])c1NC(=O)c1cccc2c(C#N)c[nH]c21 ZINC001157171536 1089855533 /nfs/dbraw/zinc/85/55/33/1089855533.db2.gz LTKKMBIPUXQARF-UHFFFAOYSA-N -1 1 319.320 3.200 20 30 DGEDMM CCc1nnc(NCc2cccc(Cl)c2[O-])c(C#N)c1CC ZINC001307230363 1091850062 /nfs/dbraw/zinc/85/00/62/1091850062.db2.gz TXNUTDIXBWZDSW-UHFFFAOYSA-N -1 1 316.792 3.444 20 30 DGEDMM N#Cc1c(F)cc(C(=O)Nc2ccc([O-])c(F)c2F)cc1F ZINC001140657436 1091946242 /nfs/dbraw/zinc/94/62/42/1091946242.db2.gz QNKHDUGAWBGUOW-UHFFFAOYSA-N -1 1 310.206 3.073 20 30 DGEDMM N#C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(F)cc1 ZINC001141304128 1092202033 /nfs/dbraw/zinc/20/20/33/1092202033.db2.gz MWKPIJHPZGBEGG-OAHLLOKOSA-N -1 1 321.311 3.074 20 30 DGEDMM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(F)c([O-])c1 ZINC001142422714 1092478410 /nfs/dbraw/zinc/47/84/10/1092478410.db2.gz NAEJZZSVBRCELG-MRXNPFEDSA-N -1 1 310.328 3.210 20 30 DGEDMM N#Cc1nc(Cl)c([N-]c2cnccc2C(F)(F)F)nc1C#N ZINC001210092896 1093040428 /nfs/dbraw/zinc/04/04/28/1093040428.db2.gz DFFYHQSBUQLEIF-UHFFFAOYSA-N -1 1 324.653 3.031 20 30 DGEDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C)cc2C#N)c1 ZINC001210564461 1093213071 /nfs/dbraw/zinc/21/30/71/1093213071.db2.gz GPPFKXFJSIMXKI-UHFFFAOYSA-N -1 1 316.382 3.110 20 30 DGEDMM CC(C)(C)c1noc([N-]c2cnc(C(F)(F)F)nc2)c1C#N ZINC001210669818 1093246553 /nfs/dbraw/zinc/24/65/53/1093246553.db2.gz UKSZHTAVPNIDCP-UHFFFAOYSA-N -1 1 311.267 3.396 20 30 DGEDMM N#Cc1cc(F)cc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)c1 ZINC001213589849 1093619121 /nfs/dbraw/zinc/61/91/21/1093619121.db2.gz PORFBNQIPGJMMW-UHFFFAOYSA-N -1 1 323.209 3.156 20 30 DGEDMM N#Cc1cc(F)cc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)c1 ZINC001213589849 1093619124 /nfs/dbraw/zinc/61/91/24/1093619124.db2.gz PORFBNQIPGJMMW-UHFFFAOYSA-N -1 1 323.209 3.156 20 30 DGEDMM N#Cc1cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c(O)cc1F ZINC001215469485 1093987074 /nfs/dbraw/zinc/98/70/74/1093987074.db2.gz XYVGCHHEIMJVTE-UHFFFAOYSA-N -1 1 308.215 3.123 20 30 DGEDMM N#Cc1cc(F)cc(-c2noc(-c3cc([O-])cc(F)c3F)n2)c1 ZINC001216922891 1094279178 /nfs/dbraw/zinc/27/91/78/1094279178.db2.gz HQRYRAIBNMRPAQ-UHFFFAOYSA-N -1 1 317.226 3.398 20 30 DGEDMM Cc1ccn(-c2cccc(C([O-])=C(C#N)c3nc(C)cs3)c2)n1 ZINC001122492450 1094987838 /nfs/dbraw/zinc/98/78/38/1094987838.db2.gz SPDJYTJLZZDBHK-HNNXBMFYSA-N -1 1 322.393 3.436 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1csc(C(C)(C)C)n1 ZINC001123236747 1095197125 /nfs/dbraw/zinc/19/71/25/1095197125.db2.gz AMECNZISSUPXAE-SNVBAGLBSA-N -1 1 302.403 3.147 20 30 DGEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc([O-])cn2)cc1 ZINC001144394492 1095633941 /nfs/dbraw/zinc/63/39/41/1095633941.db2.gz MVJPVAGGINUUDU-INIZCTEOSA-N -1 1 309.369 3.079 20 30 DGEDMM [O-]/N=C(\OC[C@@H]1Cc2ccccc2O1)c1ccc(Cl)cc1 ZINC001223594811 1096010514 /nfs/dbraw/zinc/01/05/14/1096010514.db2.gz BTLLNTKZXOBPKP-HFUDNHEJSA-N -1 1 303.745 3.496 20 30 DGEDMM COC(=O)[C@H]1CC[C@H](O/C(=N\[O-])c2ccc(Cl)cc2)CC1 ZINC001223593051 1096010833 /nfs/dbraw/zinc/01/08/33/1096010833.db2.gz HGLCIZHAFSJQTP-LVWGNPMFSA-N -1 1 311.765 3.224 20 30 DGEDMM O=C1CCCC[C@@H]1O/C(=N\[O-])c1ccccc1Br ZINC001223885697 1096084854 /nfs/dbraw/zinc/08/48/54/1096084854.db2.gz GDXUGVGZVQYWPV-AHAXBBEGSA-N -1 1 312.163 3.113 20 30 DGEDMM C[C@H]1COCC[C@@H]1O/C(=N\[O-])c1ccccc1Br ZINC001223885747 1096085605 /nfs/dbraw/zinc/08/56/05/1096085605.db2.gz JSTROJAKGMZOSF-BTCRKOMKSA-N -1 1 314.179 3.027 20 30 DGEDMM C#C[C@@H]1CCC[C@@H]1O/C(=N\[O-])c1ccccc1Br ZINC001223886104 1096086261 /nfs/dbraw/zinc/08/62/61/1096086261.db2.gz ZYRCIAWPLFSTAQ-AOQNGNHISA-N -1 1 308.175 3.403 20 30 DGEDMM COc1cccc(C(=O)Nc2ccc(C#N)c3ncccc23)c1[O-] ZINC001148207819 1096326544 /nfs/dbraw/zinc/32/65/44/1096326544.db2.gz PHZSOKVDIWIPFY-UHFFFAOYSA-N -1 1 319.320 3.073 20 30 DGEDMM N#C[C@@H]1CCCN(C(=O)c2cccc(-c3ccccc3)c2[O-])C1 ZINC001148865873 1096460344 /nfs/dbraw/zinc/46/03/44/1096460344.db2.gz AOMOJQWJDAFNKX-AWEZNQCLSA-N -1 1 306.365 3.435 20 30 DGEDMM C=CCN1CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148866176 1096460826 /nfs/dbraw/zinc/46/08/26/1096460826.db2.gz FBAMOJWVVCHVAT-UHFFFAOYSA-N -1 1 322.408 3.003 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1=C(C)[C@@H](CC)OC1=O ZINC001227120166 1096873279 /nfs/dbraw/zinc/87/32/79/1096873279.db2.gz GQJLJJJJRDCYGI-OAHLLOKOSA-N -1 1 316.353 3.312 20 30 DGEDMM COCC(=O)c1ccc([O-])cc1O[C@@H](CC#N)c1ccccc1 ZINC001227173514 1096885814 /nfs/dbraw/zinc/88/58/14/1096885814.db2.gz ZAVARNQKHLGWHA-KRWDZBQOSA-N -1 1 311.337 3.255 20 30 DGEDMM C#C[C@@H](Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O)C(C)C ZINC001227308758 1096914714 /nfs/dbraw/zinc/91/47/14/1096914714.db2.gz FGCWZZBPWUNEET-CQSZACIVSA-N -1 1 324.332 3.394 20 30 DGEDMM C#CC[C@@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227308560 1096914816 /nfs/dbraw/zinc/91/48/16/1096914816.db2.gz DCWWCGUFNLCRFO-SNVBAGLBSA-N -1 1 310.305 3.148 20 30 DGEDMM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc([O-])c(C#N)c2C#N)O1 ZINC001227617251 1096962012 /nfs/dbraw/zinc/96/20/12/1096962012.db2.gz BSFDWAHXHQWYEF-AEFFLSMTSA-N -1 1 312.369 3.417 20 30 DGEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC001227623113 1096962841 /nfs/dbraw/zinc/96/28/41/1096962841.db2.gz PIELMNMFQQFFPD-SNVBAGLBSA-N -1 1 309.281 3.184 20 30 DGEDMM CC1(C)CC(Oc2ccc([O-])c(C#N)c2C#N)CC(C)(C)O1 ZINC001227624315 1096963547 /nfs/dbraw/zinc/96/35/47/1096963547.db2.gz YBMXDIUTKPQWQE-UHFFFAOYSA-N -1 1 300.358 3.251 20 30 DGEDMM CCC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227716027 1096976322 /nfs/dbraw/zinc/97/63/22/1096976322.db2.gz JANHZIGVSLLVOC-UKRRQHHQSA-N -1 1 324.380 3.373 20 30 DGEDMM C#C[C@@H](CCCC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859163 1097205051 /nfs/dbraw/zinc/20/50/51/1097205051.db2.gz IQCMUUHLNCGXJE-QMMMGPOBSA-N -1 1 318.251 3.285 20 30 DGEDMM COc1cc2ccc(=O)oc2c(O[C@@H](C#N)c2ccccc2)c1[O-] ZINC001229217840 1097277878 /nfs/dbraw/zinc/27/78/78/1097277878.db2.gz GPEDNNQROILXER-AWEZNQCLSA-N -1 1 323.304 3.151 20 30 DGEDMM C#CC[C@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccc(O)cc1 ZINC001229431629 1097319617 /nfs/dbraw/zinc/31/96/17/1097319617.db2.gz GTAPIIBTESGSPA-ZDUSSCGKSA-N -1 1 310.349 3.314 20 30 DGEDMM C/C(=N\[O-])c1ccccc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001229737120 1097374526 /nfs/dbraw/zinc/37/45/26/1097374526.db2.gz QCTZMSPEGLTDQV-YAHCETOVSA-N -1 1 305.374 3.339 20 30 DGEDMM C[C@@H](CS)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229805002 1097389973 /nfs/dbraw/zinc/38/99/73/1097389973.db2.gz HCRDVEODQFBHSR-QMMMGPOBSA-N -1 1 318.350 3.055 20 30 DGEDMM CCC[C@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1OC ZINC001230025902 1097430737 /nfs/dbraw/zinc/43/07/37/1097430737.db2.gz MDRRGVQHRLPJCP-OAHLLOKOSA-N -1 1 312.369 3.098 20 30 DGEDMM N#Cc1ccc2c(c1)CN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232969974 1098188368 /nfs/dbraw/zinc/18/83/68/1098188368.db2.gz DSUVNVDAEGKPKG-UHFFFAOYSA-N -1 1 300.308 3.100 20 30 DGEDMM N#Cc1ccc2c(c1)CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233332379 1098291907 /nfs/dbraw/zinc/29/19/07/1098291907.db2.gz JFZARMJBSAHZJW-UHFFFAOYSA-N -1 1 300.308 3.100 20 30 DGEDMM C=C1O[C@H](CC)C(=O)C1Oc1cc([O-])ccc1C(=O)CCC ZINC001233650938 1098399503 /nfs/dbraw/zinc/39/95/03/1098399503.db2.gz UADYRKWNNVJQJZ-CQSZACIVSA-N -1 1 304.342 3.363 20 30 DGEDMM C=C[C@@H](CC)Oc1cc(C(=O)OC)cc([O-])c1Br ZINC001233904159 1098453534 /nfs/dbraw/zinc/45/35/34/1098453534.db2.gz HAURQFZFJNEVJS-VIFPVBQESA-N -1 1 315.163 3.285 20 30 DGEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1c(C(=O)OC)nc(C)[n-]c1=O ZINC001234564794 1098604208 /nfs/dbraw/zinc/60/42/08/1098604208.db2.gz QHYIURKFTMEKAL-WXHSDQCUSA-N -1 1 320.389 3.037 20 30 DGEDMM C[C@@H](CS)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234747003 1098659277 /nfs/dbraw/zinc/65/92/77/1098659277.db2.gz HNMDXKJADKKDCD-QMMMGPOBSA-N -1 1 318.350 3.055 20 30 DGEDMM CCCCCCCCS(=O)(=O)[N-]c1cnn2ccccc12 ZINC001187994900 1099652443 /nfs/dbraw/zinc/65/24/43/1099652443.db2.gz TWQNWVRILWKZBS-UHFFFAOYSA-N -1 1 309.435 3.437 20 30 DGEDMM N#Cc1ccc(NC(=O)c2cccc(-c3cnco3)c2)c([O-])c1 ZINC001188956617 1099910180 /nfs/dbraw/zinc/91/01/80/1099910180.db2.gz OZXRHLDBUFKSMK-UHFFFAOYSA-N -1 1 305.293 3.171 20 30 DGEDMM N#Cc1c(Cl)c(F)cc(C(=O)[N-]c2cnoc2)c1Cl ZINC001189825588 1100137833 /nfs/dbraw/zinc/13/78/33/1100137833.db2.gz IEPHMHVTGNNWRC-UHFFFAOYSA-N -1 1 300.076 3.244 20 30 DGEDMM C=CCC1(S(=O)(=O)[N-]c2cc3ccccc3c(OC)n2)CC1 ZINC001190776841 1100335876 /nfs/dbraw/zinc/33/58/76/1100335876.db2.gz OSCSDHQKZFHUBY-UHFFFAOYSA-N -1 1 318.398 3.094 20 30 DGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccccc1F ZINC000078312932 1100543091 /nfs/dbraw/zinc/54/30/91/1100543091.db2.gz AGUQYYHQVIHMIF-JGVFFNPUSA-N -1 1 314.242 3.354 20 30 DGEDMM CC1(C)c2ccccc2-c2ccc([N-]S(=O)(=O)CC#N)cc21 ZINC001192980145 1100689654 /nfs/dbraw/zinc/68/96/54/1100689654.db2.gz CVGITVKMUGQFSS-UHFFFAOYSA-N -1 1 312.394 3.258 20 30 DGEDMM C[C@@H](NC(=O)Nc1scc([O-])c1C#N)c1ccc(F)cc1 ZINC001193108407 1100705988 /nfs/dbraw/zinc/70/59/88/1100705988.db2.gz WYQYYQFOKLNNNR-MRVPVSSYSA-N -1 1 305.334 3.347 20 30 DGEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1 ZINC001193140035 1100711729 /nfs/dbraw/zinc/71/17/29/1100711729.db2.gz PQBNXDYSDLUGRY-SNVBAGLBSA-N -1 1 300.339 3.240 20 30 DGEDMM CCCCCCCCOC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001194752625 1100996216 /nfs/dbraw/zinc/99/62/16/1100996216.db2.gz NAOIKGNYGSFQAY-UHFFFAOYSA-N -1 1 323.389 3.367 20 30 DGEDMM CCOC(=O)NC(=S)[N-]c1ccc(C#N)cc1C(F)(F)F ZINC001195485136 1101146600 /nfs/dbraw/zinc/14/66/00/1101146600.db2.gz ZAXSDRPRCKRRKE-UHFFFAOYSA-N -1 1 317.292 3.020 20 30 DGEDMM C#CCCCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196319614 1101283980 /nfs/dbraw/zinc/28/39/80/1101283980.db2.gz BTOFPRDKWPAXAV-UHFFFAOYSA-N -1 1 304.349 3.074 20 30 DGEDMM Cc1cc(Br)oc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001197326306 1101548256 /nfs/dbraw/zinc/54/82/56/1101548256.db2.gz IPXCXVKDKSHWEA-UHFFFAOYSA-N -1 1 321.130 3.180 20 30 DGEDMM CN(C)C(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)c(F)c1 ZINC001242125329 1101923842 /nfs/dbraw/zinc/92/38/42/1101923842.db2.gz CEFWOFVXINUWTN-DJKKODMXSA-N -1 1 304.296 3.142 20 30 DGEDMM C=CCNC(=O)c1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242153123 1101945403 /nfs/dbraw/zinc/94/54/03/1101945403.db2.gz RDTJUILKKMVXDH-UHFFFAOYSA-N -1 1 322.286 3.389 20 30 DGEDMM COc1cnc(Cl)c(C(=O)[N-]c2c(C#N)ccc(F)c2F)c1 ZINC001199259958 1102095126 /nfs/dbraw/zinc/09/51/26/1102095126.db2.gz PNHTVUTVRINMKM-UHFFFAOYSA-N -1 1 323.686 3.146 20 30 DGEDMM 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/nfs/dbraw/zinc/87/24/17/400872417.db2.gz HKIVYTXMRCAQFY-UHFFFAOYSA-N -1 1 316.386 3.100 20 30 DGEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC000614299375 400873291 /nfs/dbraw/zinc/87/32/91/400873291.db2.gz JHXWGCVKVRZHKB-UHFFFAOYSA-N -1 1 312.344 3.111 20 30 DGEDMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614300803 400873449 /nfs/dbraw/zinc/87/34/49/400873449.db2.gz UDURPRKQMZAACO-HIFRSBDPSA-N -1 1 304.415 3.010 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CC3CC2(c2ccccc2)C3)c1 ZINC000598554688 400829386 /nfs/dbraw/zinc/82/93/86/400829386.db2.gz KYPAXQDUMMUIKI-UHFFFAOYSA-N -1 1 304.349 3.025 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000619463310 400851858 /nfs/dbraw/zinc/85/18/58/400851858.db2.gz GWHPNSURIXVVSS-UHFFFAOYSA-N -1 1 324.764 3.346 20 30 DGEDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461219 400852000 /nfs/dbraw/zinc/85/20/00/400852000.db2.gz WSLAPBUIXRFPQQ-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614370054 400887433 /nfs/dbraw/zinc/88/74/33/400887433.db2.gz DFZZCYLQBFKFLL-QGZVFWFLSA-N -1 1 309.369 3.272 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000614374348 400889210 /nfs/dbraw/zinc/88/92/10/400889210.db2.gz GTKZGNXTSKOFLR-UHFFFAOYSA-N -1 1 322.364 3.022 20 30 DGEDMM CSc1ccccc1[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619729190 400895626 /nfs/dbraw/zinc/89/56/26/400895626.db2.gz ISKVJLCQONTOED-LLVKDONJSA-N -1 1 312.394 3.477 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000614713429 400934474 /nfs/dbraw/zinc/93/44/74/400934474.db2.gz OWDVPBZGAAOKNX-KRWDZBQOSA-N -1 1 306.365 3.111 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(SC)ccc1Cl ZINC000594697192 401154366 /nfs/dbraw/zinc/15/43/66/401154366.db2.gz AIEUTSSTXXHMPD-SECBINFHSA-N -1 1 304.824 3.106 20 30 DGEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000190488013 432163061 /nfs/dbraw/zinc/16/30/61/432163061.db2.gz KLZDNYZIUPEAOQ-QGZVFWFLSA-N -1 1 308.381 3.433 20 30 DGEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190942014 432203344 /nfs/dbraw/zinc/20/33/44/432203344.db2.gz MSYJATGDKXIHEX-UHFFFAOYSA-N -1 1 310.328 3.231 20 30 DGEDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172589534 228276881 /nfs/dbraw/zinc/27/68/81/228276881.db2.gz BQWHFBDWLUUQGX-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1ncsc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000331011944 229014435 /nfs/dbraw/zinc/01/44/35/229014435.db2.gz JMKIWNOVCCIEEJ-UHFFFAOYSA-N -1 1 306.391 3.189 20 30 DGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000340984317 229093523 /nfs/dbraw/zinc/09/35/23/229093523.db2.gz SPPCKKXELLSBOX-UHFFFAOYSA-N -1 1 322.336 3.491 20 30 DGEDMM N#C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000339948822 229083578 /nfs/dbraw/zinc/08/35/78/229083578.db2.gz RZMICCCRCZIRIZ-CYBMUJFWSA-N -1 1 322.151 3.089 20 30 DGEDMM Cc1cc(C(C#N)=C([O-])c2ccc(OC(C)(C)C)cn2)nc(C)n1 ZINC000344718244 229144282 /nfs/dbraw/zinc/14/42/82/229144282.db2.gz DLDVEKXIDDSHDI-CQSZACIVSA-N -1 1 324.384 3.156 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000355843243 229318608 /nfs/dbraw/zinc/31/86/08/229318608.db2.gz MFJTWVKMSNGIQS-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000070431903 431248737 /nfs/dbraw/zinc/24/87/37/431248737.db2.gz BTKVRPJZKAFIRV-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000007402398 431346617 /nfs/dbraw/zinc/34/66/17/431346617.db2.gz OAZARQMFCZGDTB-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM O=C(CC(F)(F)F)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000118245415 431595307 /nfs/dbraw/zinc/59/53/07/431595307.db2.gz GEWHHJAKHTXYBT-SECBINFHSA-N -1 1 303.177 3.498 20 30 DGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000078967877 431713484 /nfs/dbraw/zinc/71/34/84/431713484.db2.gz DPSGHRHVIRUHCQ-UHFFFAOYSA-N -1 1 322.773 3.021 20 30 DGEDMM CCc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 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CCCc1cc(=O)[n-]c(SCc2ccc(F)c(C#N)c2)n1 ZINC000229753515 432723553 /nfs/dbraw/zinc/72/35/53/432723553.db2.gz GBDUNNFOTVXPDM-UHFFFAOYSA-N -1 1 303.362 3.025 20 30 DGEDMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188571330 432731854 /nfs/dbraw/zinc/73/18/54/432731854.db2.gz IFGOUWSCIVXAGT-AWEZNQCLSA-N -1 1 308.381 3.242 20 30 DGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1F ZINC000235891767 432745770 /nfs/dbraw/zinc/74/57/70/432745770.db2.gz ONZLNIMLNQWLKF-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000447511790 433208053 /nfs/dbraw/zinc/20/80/53/433208053.db2.gz VPFIJUABFAQLHO-LLVKDONJSA-N -1 1 307.309 3.157 20 30 DGEDMM CCc1cc(C#N)c([N-]C(=O)c2nc3cccnc3s2)s1 ZINC000362522634 433732871 /nfs/dbraw/zinc/73/28/71/433732871.db2.gz CBMLGQZLBQFTDF-UHFFFAOYSA-N -1 1 314.395 3.439 20 30 DGEDMM N#Cc1cnc(C(=O)Nc2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000340241235 434004517 /nfs/dbraw/zinc/00/45/17/434004517.db2.gz MJDHFFKLJNPGSM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/12/74/99/434127499.db2.gz SKLPYNXXGLSJEV-UHFFFAOYSA-N -1 1 301.317 3.026 20 30 DGEDMM Cc1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C#N ZINC000364641171 434276689 /nfs/dbraw/zinc/27/66/89/434276689.db2.gz CTMMADUXFCKVMY-UHFFFAOYSA-N -1 1 321.380 3.067 20 30 DGEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450997791 434523760 /nfs/dbraw/zinc/52/37/60/434523760.db2.gz YDYVWDYRJPXTHM-OAHLLOKOSA-N -1 1 324.377 3.179 20 30 DGEDMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000408277389 434559820 /nfs/dbraw/zinc/55/98/20/434559820.db2.gz ONDPXVHYWKRLPW-GFCCVEGCSA-N -1 1 312.291 3.067 20 30 DGEDMM CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553435329 434891015 /nfs/dbraw/zinc/89/10/15/434891015.db2.gz SSCXVQHUGPJGKC-OLZOCXBDSA-N -1 1 310.419 3.034 20 30 DGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cn2C)n1 ZINC000530853989 435054831 /nfs/dbraw/zinc/05/48/31/435054831.db2.gz CMWYYYBBISDPKI-SNVBAGLBSA-N -1 1 318.358 3.003 20 30 DGEDMM C#C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000491787549 435811193 /nfs/dbraw/zinc/81/11/93/435811193.db2.gz XUIYXILVSYNVEZ-HNNXBMFYSA-N -1 1 303.720 3.289 20 30 DGEDMM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)n21 ZINC000651270073 436158098 /nfs/dbraw/zinc/15/80/98/436158098.db2.gz QVOGWMLOPDMRDT-RYUDHWBXSA-N -1 1 320.352 3.412 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2cnc(N(C)C)c(Cl)c2)n1 ZINC000654968877 436479082 /nfs/dbraw/zinc/47/90/82/436479082.db2.gz QIDOPWLMQLEVIG-SNVBAGLBSA-N -1 1 320.805 3.056 20 30 DGEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000582997753 324299819 /nfs/dbraw/zinc/29/98/19/324299819.db2.gz WNQHCZJICKLEPF-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c([O-])c1 ZINC000025437656 337460362 /nfs/dbraw/zinc/46/03/62/337460362.db2.gz PDGZBECCPQXKNA-UHFFFAOYSA-N -1 1 310.353 3.454 20 30 DGEDMM C=CCOc1cccnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000342167130 526968797 /nfs/dbraw/zinc/96/87/97/526968797.db2.gz RTTHUSQISCDEGM-UHFFFAOYSA-N -1 1 304.733 3.258 20 30 DGEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000158134649 527451617 /nfs/dbraw/zinc/45/16/17/527451617.db2.gz SZOADRSEJSGCHH-OAHLLOKOSA-N -1 1 320.414 3.277 20 30 DGEDMM CC(=Cc1ccc(F)cc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337653 527526229 /nfs/dbraw/zinc/52/62/29/527526229.db2.gz XPMPHOAWKCOOOJ-VMPITWQZSA-N -1 1 303.724 3.303 20 30 DGEDMM C=CCN(CCC#N)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000359419541 527656190 /nfs/dbraw/zinc/65/61/90/527656190.db2.gz RHCJWJKFVIYYDL-UHFFFAOYSA-N -1 1 315.760 3.136 20 30 DGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000318671520 528555301 /nfs/dbraw/zinc/55/53/01/528555301.db2.gz LOTQFJOJNKFDSJ-UHFFFAOYSA-N -1 1 316.382 3.066 20 30 DGEDMM COc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000093243621 545855202 /nfs/dbraw/zinc/85/52/02/545855202.db2.gz CUPYGJXWMBRWAM-AWEZNQCLSA-N -1 1 303.321 3.128 20 30 DGEDMM CC(=O)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000685464894 549765944 /nfs/dbraw/zinc/76/59/44/549765944.db2.gz QXFYLCCYHZKTJP-UHFFFAOYSA-N -1 1 314.728 3.372 20 30 DGEDMM O=C([O-])COc1ccc(CN=Nc2cc(F)c(F)cc2F)cc1 ZINC000734301618 574655521 /nfs/dbraw/zinc/65/55/21/574655521.db2.gz IGWMWKHUIHKCFG-UHFFFAOYSA-N -1 1 324.258 3.013 20 30 DGEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000736661346 574762373 /nfs/dbraw/zinc/76/23/73/574762373.db2.gz FJXVMNUCMIIEEL-HWPZZCPQSA-N -1 1 316.307 3.313 20 30 DGEDMM CN(Cc1ccc(F)cc1F)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737477328 574846934 /nfs/dbraw/zinc/84/69/34/574846934.db2.gz QJAVYNGDQSIRQD-MRXNPFEDSA-N -1 1 316.307 3.094 20 30 DGEDMM COc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738118491 574859213 /nfs/dbraw/zinc/85/92/13/574859213.db2.gz CDENLNKJRUYWOA-SJCJKPOMSA-N -1 1 310.353 3.043 20 30 DGEDMM C[C@H](Oc1cccc(CN=Nc2ccc(F)cc2F)c1)C(=O)[O-] ZINC000746676848 575469736 /nfs/dbraw/zinc/46/97/36/575469736.db2.gz KQMCEHDUDQWWOA-JTQLQIEISA-N -1 1 320.295 3.263 20 30 DGEDMM COc1cc(C(C)=NNc2nc(C)cc(=O)[n-]2)ccc1SC ZINC000747603123 575526736 /nfs/dbraw/zinc/52/67/36/575526736.db2.gz POBJEIGLZDZROF-UHFFFAOYSA-N -1 1 318.402 3.057 20 30 DGEDMM [O-]c1c(F)cc(CN=Nc2c(F)c(F)nc(F)c2F)cc1F ZINC000749854157 575683118 /nfs/dbraw/zinc/68/31/18/575683118.db2.gz FSZQTUJUQYLHIW-UHFFFAOYSA-N -1 1 321.180 3.068 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccsc3)nc1-2 ZINC000750722048 575747079 /nfs/dbraw/zinc/74/70/79/575747079.db2.gz ACSJXKLZMUZSLU-DLGQBQFBSA-N -1 1 308.366 3.218 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccs3)nc1-2 ZINC000750722947 575747138 /nfs/dbraw/zinc/74/71/38/575747138.db2.gz GDLWXGIPEYXNBQ-ITKZLYELSA-N -1 1 308.366 3.218 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc(-c3cccs3)s2)n1 ZINC000751517514 575787970 /nfs/dbraw/zinc/78/79/70/575787970.db2.gz SIXFATGJJNSMQY-UHFFFAOYSA-N -1 1 317.399 3.122 20 30 DGEDMM CC(=NNc1c(F)cccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749621872 576098501 /nfs/dbraw/zinc/09/85/01/576098501.db2.gz OKHYOKHAFHLRHB-UHFFFAOYSA-N -1 1 307.256 3.415 20 30 DGEDMM C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)[O-] ZINC000262162597 600977662 /nfs/dbraw/zinc/97/76/62/600977662.db2.gz BGCBXVSMJBYEDJ-SECBINFHSA-N -1 1 316.170 3.049 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3ccccc3F)o2)n1 ZINC000917023340 620652521 /nfs/dbraw/zinc/65/25/21/620652521.db2.gz YINDNKCMBLMJMP-UHFFFAOYSA-N -1 1 312.304 3.336 20 30 DGEDMM CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806558745 617630292 /nfs/dbraw/zinc/63/02/92/617630292.db2.gz KKOVYGSHXUOHNJ-BJMVGYQFSA-N -1 1 312.321 3.385 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2cccnc2Cl)c(O)c1 ZINC000806559057 617630619 /nfs/dbraw/zinc/63/06/19/617630619.db2.gz SYBDNLWWCZDIKF-XQRVVYSFSA-N -1 1 303.701 3.035 20 30 DGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncsc1C1CC1 ZINC000892420492 618061508 /nfs/dbraw/zinc/06/15/08/618061508.db2.gz SUKPDUGCZLQEJC-LLVKDONJSA-N -1 1 322.393 3.397 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccnn1CC1CCC1 ZINC000899416312 619339766 /nfs/dbraw/zinc/33/97/66/619339766.db2.gz ULIVWQSZJUZXLO-FNORWQNLSA-N -1 1 300.333 3.424 20 30 DGEDMM N#CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CCCC1 ZINC000900778366 619450155 /nfs/dbraw/zinc/45/01/55/619450155.db2.gz YUQFBGFCVDHEQB-UHFFFAOYSA-N -1 1 310.353 3.159 20 30 DGEDMM CCOc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)co1 ZINC000901246845 619480139 /nfs/dbraw/zinc/48/01/39/619480139.db2.gz RTPVFCXQYNYXBC-UHFFFAOYSA-N -1 1 317.370 3.138 20 30 DGEDMM Cc1ccc(C)c(OCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901378700 619492356 /nfs/dbraw/zinc/49/23/56/619492356.db2.gz JWZPBMRQCGVJIK-UHFFFAOYSA-N -1 1 303.333 3.239 20 30 DGEDMM C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904236227 619903219 /nfs/dbraw/zinc/90/32/19/619903219.db2.gz NOPKQMSDZMSXBI-OAHLLOKOSA-N -1 1 318.417 3.121 20 30 DGEDMM C=C[C@@H]1CCCCN1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904236227 619903221 /nfs/dbraw/zinc/90/32/21/619903221.db2.gz NOPKQMSDZMSXBI-OAHLLOKOSA-N -1 1 318.417 3.121 20 30 DGEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000908643719 620214825 /nfs/dbraw/zinc/21/48/25/620214825.db2.gz ZCWZSUFEWNTTDM-CYBMUJFWSA-N -1 1 307.777 3.186 20 30 DGEDMM CC(C)CC(CC(C)C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914600194 620544440 /nfs/dbraw/zinc/54/44/40/620544440.db2.gz QNBXTQVZUNWIGM-UHFFFAOYSA-N -1 1 321.446 3.173 20 30 DGEDMM CCOc1cc(C(=O)N[C@@H](C#N)C2CCCC2)cc(Cl)c1[O-] ZINC000921538822 620904427 /nfs/dbraw/zinc/90/44/27/620904427.db2.gz YLLVOAFZTWVUKX-ZDUSSCGKSA-N -1 1 322.792 3.256 20 30 DGEDMM N#Cc1ccsc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154762515 621062440 /nfs/dbraw/zinc/06/24/40/621062440.db2.gz PCFIODQWXXOGNK-UHFFFAOYSA-N -1 1 309.253 3.058 20 30 DGEDMM O=C([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(F)(F)C(F)F ZINC000752510740 621396985 /nfs/dbraw/zinc/39/69/85/621396985.db2.gz YKDMHIRBJULQEE-RQJHMYQMSA-N -1 1 309.225 3.372 20 30 DGEDMM CCC(=NNc1cc(C)nc(C)n1)c1cc(C(=O)[O-])ccc1F ZINC000756880454 621669858 /nfs/dbraw/zinc/66/98/58/621669858.db2.gz MWOQWGKYZPLORM-UHFFFAOYSA-N -1 1 316.336 3.157 20 30 DGEDMM C#CCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCCC1 ZINC000863476770 621676718 /nfs/dbraw/zinc/67/67/18/621676718.db2.gz NQAVNXXIZQFNDK-UHFFFAOYSA-N -1 1 323.396 3.490 20 30 DGEDMM COc1ccc(CCNN=C(C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757465784 621713794 /nfs/dbraw/zinc/71/37/94/621713794.db2.gz VWSPAUKCTRDITN-UHFFFAOYSA-N -1 1 320.339 3.235 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cccnc2Cl)c1 ZINC000757473232 621715217 /nfs/dbraw/zinc/71/52/17/621715217.db2.gz NJOCMIFKPVQDJW-HWKANZROSA-N -1 1 303.701 3.035 20 30 DGEDMM Cc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000757475380 621716132 /nfs/dbraw/zinc/71/61/32/621716132.db2.gz JPUVRWGMCMYWCJ-SOFGYWHQSA-N -1 1 312.321 3.060 20 30 DGEDMM C=C(C)C[C@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000864530656 621780545 /nfs/dbraw/zinc/78/05/45/621780545.db2.gz JGHUGWLHZHSZPX-NSHDSACASA-N -1 1 305.346 3.244 20 30 DGEDMM C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc(C#N)c1[O-] ZINC000866334059 622095899 /nfs/dbraw/zinc/09/58/99/622095899.db2.gz QZVHUNIHTQTWHX-DOMZBBRYSA-N -1 1 321.380 3.040 20 30 DGEDMM COc1cc(C(C)N=Nc2ccccc2C(=O)[O-])ccc1F ZINC000765569989 622274101 /nfs/dbraw/zinc/27/41/01/622274101.db2.gz NVQWRGOYUCPCCF-UHFFFAOYSA-N -1 1 302.305 3.369 20 30 DGEDMM CCc1cnccc1C(C)=NNc1ccc(C(=O)[O-])cc1OC ZINC000765584464 622275069 /nfs/dbraw/zinc/27/50/69/622275069.db2.gz OHRHJPYJMTWKJA-UHFFFAOYSA-N -1 1 313.357 3.187 20 30 DGEDMM CCC[C@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)c1ccccc1 ZINC000769583353 622541966 /nfs/dbraw/zinc/54/19/66/622541966.db2.gz ATOWNYGZUGSGOR-CYBMUJFWSA-N -1 1 324.388 3.051 20 30 DGEDMM CCC(C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)CC ZINC000769810199 622563638 /nfs/dbraw/zinc/56/36/38/622563638.db2.gz LTQCWKRARAIKRL-UHFFFAOYSA-N -1 1 304.398 3.121 20 30 DGEDMM CCCCCCCC(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819095 622564396 /nfs/dbraw/zinc/56/43/96/622564396.db2.gz YKYYDNBLQQTWTM-UHFFFAOYSA-N -1 1 304.398 3.217 20 30 DGEDMM N#Cc1cccc(C2(NC(=O)c3c([O-])cccc3Cl)CC2)c1 ZINC000770088375 622600465 /nfs/dbraw/zinc/60/04/65/622600465.db2.gz ZGQDXTCMZAEOKA-UHFFFAOYSA-N -1 1 312.756 3.336 20 30 DGEDMM O=C(/C=C/c1ccnn1CC1CCC1)c1cccc([O-])c1F ZINC000871671944 622663473 /nfs/dbraw/zinc/66/34/73/622663473.db2.gz KWWIZUVDBIKXBT-BQYQJAHWSA-N -1 1 300.333 3.424 20 30 DGEDMM N#CCc1ccccc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771225536 622729226 /nfs/dbraw/zinc/72/92/26/622729226.db2.gz URUMSFNWCUFDHD-UHFFFAOYSA-N -1 1 309.300 3.238 20 30 DGEDMM COc1c([O-])c(C=NNc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000772989759 622962031 /nfs/dbraw/zinc/96/20/31/622962031.db2.gz IUZGYZPCSFFXKS-UHFFFAOYSA-N -1 1 321.720 3.408 20 30 DGEDMM O=C(/C=C/c1cccc(Br)n1)c1cc(O)ccc1[O-] ZINC000777917779 623585338 /nfs/dbraw/zinc/58/53/38/623585338.db2.gz DVKSOQBZQWZHCE-GQCTYLIASA-N -1 1 320.142 3.151 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc(Br)n1 ZINC000780188966 623874778 /nfs/dbraw/zinc/87/47/78/623874778.db2.gz SMPJQVUWJGAGMS-YFHOEESVSA-N -1 1 316.154 3.372 20 30 DGEDMM CC(=O)Nc1ccc(C(C)=NNc2ccccc2C(=O)[O-])cc1 ZINC000781585378 624097674 /nfs/dbraw/zinc/09/76/74/624097674.db2.gz LJLOKCQTVYBBRU-UHFFFAOYSA-N -1 1 311.341 3.179 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000022408440 624115521 /nfs/dbraw/zinc/11/55/21/624115521.db2.gz ASNNQVRPBXTGRB-UHFFFAOYSA-N -1 1 311.406 3.348 20 30 DGEDMM C=CCCCCCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000783024214 624301152 /nfs/dbraw/zinc/30/11/52/624301152.db2.gz LDEKGWCGOMVQBR-UHFFFAOYSA-N -1 1 317.432 3.023 20 30 DGEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3ccc(Cl)cc3)C2)n1 ZINC000783773387 624394678 /nfs/dbraw/zinc/39/46/78/624394678.db2.gz XOAGAOGYQPZXDQ-UHFFFAOYSA-N -1 1 302.765 3.490 20 30 DGEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1OC ZINC000785515831 624681439 /nfs/dbraw/zinc/68/14/39/624681439.db2.gz CDNPCYSTYDHGND-OAHLLOKOSA-N -1 1 310.353 3.154 20 30 DGEDMM C=C[C@@](C)(CC)COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000786522529 624906331 /nfs/dbraw/zinc/90/63/31/624906331.db2.gz BKIPMGALGFIRPF-INIZCTEOSA-N -1 1 324.446 3.291 20 30 DGEDMM CC(=NN=c1[nH]c2ccccc2[nH]1)c1cc(C(=O)[O-])ccc1C ZINC000788407928 625160380 /nfs/dbraw/zinc/16/03/80/625160380.db2.gz NESSPAZNXCWGKO-UHFFFAOYSA-N -1 1 308.341 3.406 20 30 DGEDMM N#CC(=C([O-])C=C1CCSCC1)c1cnc2ccccc2n1 ZINC000792110557 625910601 /nfs/dbraw/zinc/91/06/01/625910601.db2.gz OJEYNGSFFAYZFB-ZDUSSCGKSA-N -1 1 309.394 3.259 20 30 DGEDMM C#CCC1(C(=O)[N-]OCc2ccccc2OC)CCCCC1 ZINC000799093519 626270982 /nfs/dbraw/zinc/27/09/82/626270982.db2.gz UQFPKSQYTGDFEP-UHFFFAOYSA-N -1 1 301.386 3.217 20 30 DGEDMM CC(C)c1cccc(-n2cc([O-])c(C(=O)OCCCC#N)n2)c1 ZINC000801411144 626403594 /nfs/dbraw/zinc/40/35/94/626403594.db2.gz LJNSSIPCNOFYPE-UHFFFAOYSA-N -1 1 313.357 3.162 20 30 DGEDMM C=CCC[C@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000801699830 626415510 /nfs/dbraw/zinc/41/55/10/626415510.db2.gz DNXUFFRTPHMNPE-HNNXBMFYSA-N -1 1 320.396 3.030 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)c(O)c1 ZINC000806559376 626721152 /nfs/dbraw/zinc/72/11/52/626721152.db2.gz ZDWBIUTYEKDAED-QHHAFSJGSA-N -1 1 304.248 3.265 20 30 DGEDMM Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)ccc1C#N ZINC000806561789 626721747 /nfs/dbraw/zinc/72/17/47/626721747.db2.gz ZZXDHCDDUDDUDS-XVNBXDOJSA-N -1 1 307.305 3.167 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000808072689 626791589 /nfs/dbraw/zinc/79/15/89/626791589.db2.gz PAODPWIDIBFXSJ-UHFFFAOYSA-N -1 1 307.321 3.406 20 30 DGEDMM Cc1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2s1 ZINC000809756374 626947584 /nfs/dbraw/zinc/94/75/84/626947584.db2.gz VNBLGAOSJMPDSY-UHFFFAOYSA-N -1 1 309.350 3.434 20 30 DGEDMM O=C([N-][C@H](c1cc(F)ccc1F)C(F)F)C(F)C(F)(F)F ZINC000811472263 627278230 /nfs/dbraw/zinc/27/82/30/627278230.db2.gz CHPNOYYAXDUKDI-SFYZADRCSA-N -1 1 321.167 3.288 20 30 DGEDMM O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ccnc(F)c1 ZINC000811647366 627299627 /nfs/dbraw/zinc/29/96/27/627299627.db2.gz JFVFKNFCVPICDB-UHFFFAOYSA-N -1 1 313.332 3.462 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)ccc1C#N ZINC000811836384 627327747 /nfs/dbraw/zinc/32/77/47/627327747.db2.gz RHTRGGWJBSVMJJ-UHFFFAOYSA-N -1 1 321.789 3.024 20 30 DGEDMM COc1ccc(F)cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000812243367 627364534 /nfs/dbraw/zinc/36/45/34/627364534.db2.gz KLEAEOAWLKUXKW-GORDUTHDSA-N -1 1 316.284 3.134 20 30 DGEDMM CC(=NNc1ccccc1[N+](=O)[O-])c1cc(C(=O)[O-])cs1 ZINC000814685775 627583807 /nfs/dbraw/zinc/58/38/07/627583807.db2.gz NVHOKBBMCQBKER-UHFFFAOYSA-N -1 1 305.315 3.191 20 30 DGEDMM O=C1c2ccccc2CN1N=Cc1cc(Cl)c(F)cc1[O-] ZINC000814902851 627605232 /nfs/dbraw/zinc/60/52/32/627605232.db2.gz XGFIZDSSQUYLKM-UHFFFAOYSA-N -1 1 304.708 3.175 20 30 DGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OC(C)C)s1 ZINC000819555227 628169059 /nfs/dbraw/zinc/16/90/59/628169059.db2.gz ADWDCTHQDNZWIZ-UHFFFAOYSA-N -1 1 320.867 3.295 20 30 DGEDMM C=CCc1cccc(F)c1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000819885927 628195994 /nfs/dbraw/zinc/19/59/94/628195994.db2.gz NHRIWDREIHZSIW-UHFFFAOYSA-N -1 1 324.377 3.168 20 30 DGEDMM C=CCc1cccc(F)c1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000819885927 628195996 /nfs/dbraw/zinc/19/59/96/628195996.db2.gz NHRIWDREIHZSIW-UHFFFAOYSA-N -1 1 324.377 3.168 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCCC2(C)C)o1 ZINC000820198441 628233658 /nfs/dbraw/zinc/23/36/58/628233658.db2.gz VVYKWRWJSLXXJP-UHFFFAOYSA-N -1 1 317.397 3.346 20 30 DGEDMM CC[C@H]1CCCC1N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000820971997 628321270 /nfs/dbraw/zinc/32/12/70/628321270.db2.gz JHQRRRKUSFRFDT-JTQLQIEISA-N -1 1 317.397 3.031 20 30 DGEDMM Cc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822378537 628445779 /nfs/dbraw/zinc/44/57/79/628445779.db2.gz BFNUNXILHZIYJT-DUXPYHPUSA-N -1 1 302.384 3.194 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2C(C)C)o1 ZINC000824352530 628653881 /nfs/dbraw/zinc/65/38/81/628653881.db2.gz HGZKYOKPWGEPQE-JTQLQIEISA-N -1 1 317.397 3.202 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@H](C)C[C@H]2C)o1 ZINC000824899413 628703920 /nfs/dbraw/zinc/70/39/20/628703920.db2.gz JMDSXDKODFHAOA-VHSXEESVSA-N -1 1 317.397 3.202 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000824927587 628708240 /nfs/dbraw/zinc/70/82/40/628708240.db2.gz PTPGMOSYPKCGCL-GHMZBOCLSA-N -1 1 317.397 3.202 20 30 DGEDMM CC[C@@H]1CCCCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825195261 628736616 /nfs/dbraw/zinc/73/66/16/628736616.db2.gz VRJZBZHIHFHMFH-SNVBAGLBSA-N -1 1 317.397 3.346 20 30 DGEDMM CCc1oc(C(=O)[O-])cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000833681323 629640880 /nfs/dbraw/zinc/64/08/80/629640880.db2.gz YAJAQLBJSNFJFL-UHFFFAOYSA-N -1 1 310.353 3.191 20 30 DGEDMM O=C([O-])NC1(C/N=C\c2cc(Cl)cc(Cl)c2O)CCC1 ZINC000834155519 629673951 /nfs/dbraw/zinc/67/39/51/629673951.db2.gz ZSKXAMKZJQMOLX-SOFYXZRVSA-N -1 1 317.172 3.308 20 30 DGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])C=C[C@H]2CCOC2)s1 ZINC000835387878 629920799 /nfs/dbraw/zinc/92/07/99/629920799.db2.gz MNLBVPVLBZPPJH-RUULKOMLSA-N -1 1 304.415 3.210 20 30 DGEDMM C=C(CC)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000837099742 630213082 /nfs/dbraw/zinc/21/30/82/630213082.db2.gz 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C[C@@H]1CCC[C@](C#N)(NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001618411326 1193738404 /nfs/dbraw/zinc/73/84/04/1193738404.db2.gz QYNZQDBYEHBZFP-XIKOKIGWSA-N -1 1 309.369 3.143 20 30 DGEDMM CC(C)(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC001622035275 1193881551 /nfs/dbraw/zinc/88/15/51/1193881551.db2.gz QRTQZZQQNOLISK-STQMWFEESA-N -1 1 324.446 3.425 20 30 DGEDMM N#C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001629248542 1194222491 /nfs/dbraw/zinc/22/24/91/1194222491.db2.gz GURKIFXVCMSEKC-AWEZNQCLSA-N -1 1 318.735 3.108 20 30 DGEDMM CCCCCCC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001638211103 1194707383 /nfs/dbraw/zinc/70/73/83/1194707383.db2.gz MWXUTOUOVIAYGA-LBPRGKRZSA-N -1 1 323.393 3.422 20 30 DGEDMM O=C([C@@H]1OCCc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001641861994 1194876061 /nfs/dbraw/zinc/87/60/61/1194876061.db2.gz NUKFGFMBLRYWGI-MRXNPFEDSA-N -1 1 317.772 3.372 20 30 DGEDMM Cc1ccc(C#N)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001648608583 1195313023 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C=C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573316672 947279628 /nfs/dbraw/zinc/27/96/28/947279628.db2.gz YATSTBWNQJQVCS-GFCCVEGCSA-N -1 1 312.354 3.012 20 30 DGEDMM N#CC(C(=O)[C@H](C(=O)[O-])C1CCCC1)c1nccc2ccccc21 ZINC001594601213 956132354 /nfs/dbraw/zinc/13/23/54/956132354.db2.gz LPARJLPEXKKXBO-HZPDHXFCSA-N -1 1 322.364 3.302 20 30 DGEDMM N#CC(C(=O)[C@@H](C(=O)[O-])C1CCCC1)c1nccc2ccccc21 ZINC001594601205 956133091 /nfs/dbraw/zinc/13/30/91/956133091.db2.gz LPARJLPEXKKXBO-CVEARBPZSA-N -1 1 322.364 3.302 20 30 DGEDMM CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCCCC(=O)[O-])s1 ZINC001588741956 961174840 /nfs/dbraw/zinc/17/48/40/961174840.db2.gz ORCIJNOBSTYGAH-JTQLQIEISA-N -1 1 308.403 3.262 20 30 DGEDMM N#C[C@@H](C(=O)[C@]1(C(=O)[O-])CC=CCC1)c1nccc2ccccc21 ZINC001605577189 973856190 /nfs/dbraw/zinc/85/61/90/973856190.db2.gz WTRKGMNJIYTVBY-BEFAXECRSA-N -1 1 320.348 3.222 20 30 DGEDMM C#C[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001588382991 983376340 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COc1cccc(C(C)=NNc2cccc(F)c2C(=O)[O-])c1 ZINC001599654506 994556482 /nfs/dbraw/zinc/55/64/82/994556482.db2.gz PLLKXBDMYBUCJR-UHFFFAOYSA-N -1 1 302.305 3.369 20 30 DGEDMM C[C@H](NCc1cc(C#N)ccc1F)c1cc(C(=O)[O-])cs1 ZINC001593288463 994656175 /nfs/dbraw/zinc/65/61/75/994656175.db2.gz KIKUXZJWEQVDJW-VIFPVBQESA-N -1 1 304.346 3.308 20 30 DGEDMM COCc1cccc(C=NNc2cccc(F)c2C(=O)[O-])c1 ZINC001599295422 997131468 /nfs/dbraw/zinc/13/14/68/997131468.db2.gz GSBRKXXTPAGJPO-UHFFFAOYSA-N -1 1 302.305 3.116 20 30 DGEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257521425 1103053596 /nfs/dbraw/zinc/05/35/96/1103053596.db2.gz ULUJPSXUADKDSB-SNVBAGLBSA-N -1 1 312.243 3.135 20 30 DGEDMM C=C[C@H](CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC001129758205 1082500766 /nfs/dbraw/zinc/50/07/66/1082500766.db2.gz RABSHSZZMGPADR-CYBMUJFWSA-N -1 1 323.396 3.359 20 30 DGEDMM C#Cc1ccc(C(=O)Nc2cccc([O-])c2Br)cc1 ZINC001158831959 1083095435 /nfs/dbraw/zinc/09/54/35/1083095435.db2.gz MZZPEYBUDZOPJN-UHFFFAOYSA-N -1 1 316.154 3.388 20 30 DGEDMM CC(=O)c1ccnc(C(=O)[N-]c2c(C#N)oc3ccccc32)c1 ZINC001184828573 1084272496 /nfs/dbraw/zinc/27/24/96/1084272496.db2.gz QLBNKHZBMHDNGG-UHFFFAOYSA-N -1 1 305.293 3.154 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1Cl ZINC001185521314 1084462345 /nfs/dbraw/zinc/46/23/45/1084462345.db2.gz PFVUZBHOXDQQMX-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C[C@@H](CCc1ccccc1)C(=O)N([O-])C(=N)c1ccccc1N ZINC001186020253 1084571111 /nfs/dbraw/zinc/57/11/11/1084571111.db2.gz CPBGRBOQXKTEBN-ZDUSSCGKSA-N -1 1 311.385 3.081 20 30 DGEDMM C#Cc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001214231959 1087715042 /nfs/dbraw/zinc/71/50/42/1087715042.db2.gz CCDPMNIAUFRKNZ-UHFFFAOYSA-N -1 1 300.745 3.349 20 30 DGEDMM COc1ccc2cc([O-])c(C(=O)N3CCCC[C@@H]3C#N)cc2c1 ZINC001154754112 1088742759 /nfs/dbraw/zinc/74/27/59/1088742759.db2.gz REJGITYIHPHBND-CQSZACIVSA-N -1 1 310.353 3.072 20 30 DGEDMM CCCCCCCCCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001155134123 1088966419 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N#Cc1ccccc1/C=C/C(=O)Nc1cc([O-])c(F)cc1F ZINC001298969843 1092135010 /nfs/dbraw/zinc/13/50/10/1092135010.db2.gz FPRMAZKLMXVGFM-AATRIKPKSA-N -1 1 300.264 3.194 20 30 DGEDMM C#C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC001141800901 1092339653 /nfs/dbraw/zinc/33/96/53/1092339653.db2.gz JIVIDXDTSVDYMC-ZDUSSCGKSA-N -1 1 303.720 3.289 20 30 DGEDMM Cc1nc2ccccc2c(C(=O)Nc2ccc(C#N)cc2[O-])c1O ZINC001149198492 1092667834 /nfs/dbraw/zinc/66/78/34/1092667834.db2.gz VAKKXQDIQLHUFQ-UHFFFAOYSA-N -1 1 319.320 3.078 20 30 DGEDMM Cc1nc2ccccc2c(C(=O)Nc2ccc(C#N)cc2O)c1[O-] ZINC001149198492 1092667840 /nfs/dbraw/zinc/66/78/40/1092667840.db2.gz VAKKXQDIQLHUFQ-UHFFFAOYSA-N -1 1 319.320 3.078 20 30 DGEDMM C#CC1(NC(=O)c2cc3cccc(O)c3cc2[O-])CCCCC1 ZINC001149659673 1092718816 /nfs/dbraw/zinc/71/88/16/1092718816.db2.gz KZLBEKZEUFBTHF-UHFFFAOYSA-N -1 1 309.365 3.317 20 30 DGEDMM N#Cc1ccc(F)c(-c2noc(-c3cc([O-])cc(F)c3F)n2)c1 ZINC001216924088 1094278547 /nfs/dbraw/zinc/27/85/47/1094278547.db2.gz YJFCXRJFUSLPIG-UHFFFAOYSA-N -1 1 317.226 3.398 20 30 DGEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@H](C)C1 ZINC001121597510 1094723551 /nfs/dbraw/zinc/72/35/51/1094723551.db2.gz JAVJSLICTGCGRD-NSHDSACASA-N -1 1 318.808 3.336 20 30 DGEDMM [O-]/N=C(\OC1CCSCC1)c1ccccc1Br ZINC001223884190 1096085164 /nfs/dbraw/zinc/08/51/64/1096085164.db2.gz DIJSCMDUSIABON-OWBHPGMISA-N -1 1 316.220 3.497 20 30 DGEDMM O=C1CCC(O/C(=N\[O-])c2ccccc2Br)CC1 ZINC001223885391 1096085260 /nfs/dbraw/zinc/08/52/60/1096085260.db2.gz FIEWYAMMPFGPNM-SQFISAMPSA-N -1 1 312.163 3.113 20 30 DGEDMM CC[C@@H](COC)O/C(=N\[O-])c1ccccc1Br ZINC001223885073 1096085437 /nfs/dbraw/zinc/08/54/37/1096085437.db2.gz XLPQXJNKACGFMW-GCOCVTSNSA-N -1 1 302.168 3.027 20 30 DGEDMM Cc1cn2c(n1)[C@H](O/C(=N\[O-])c1cc(F)ccc1F)CCC2 ZINC001223889306 1096088069 /nfs/dbraw/zinc/08/80/69/1096088069.db2.gz BHMYWHROIYMNRW-YSYRGXBVSA-N -1 1 307.300 3.157 20 30 DGEDMM O/N=C/c1cccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1 ZINC001226114986 1096615598 /nfs/dbraw/zinc/61/55/98/1096615598.db2.gz UUBCQPXNKJIXDU-WAKXPGHKSA-N -1 1 307.353 3.192 20 30 DGEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1cc(-c2ccccc2)no1 ZINC001226258194 1096647615 /nfs/dbraw/zinc/64/76/15/1096647615.db2.gz RRBXXZPQFWYSRZ-HPAYWCODSA-N -1 1 310.313 3.080 20 30 DGEDMM [O-]/N=C/c1ccnc(OC2CC(c3ccccc3Cl)C2)n1 ZINC001226255283 1096647677 /nfs/dbraw/zinc/64/76/77/1096647677.db2.gz HJTBRHRNRRMJNC-GIJQJNRQSA-N -1 1 303.749 3.263 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](CCC)CC(=O)OC ZINC001227120404 1096874132 /nfs/dbraw/zinc/87/41/32/1096874132.db2.gz KDYMOBRFWZTOJB-ZDUSSCGKSA-N -1 1 320.385 3.434 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)CO[C@@H](C)COC ZINC001227123194 1096874491 /nfs/dbraw/zinc/87/44/91/1096874491.db2.gz UOHXWKGYENPMMN-STQMWFEESA-N -1 1 322.401 3.142 20 30 DGEDMM CCCCCCCC[C@H](C)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227430537 1096930718 /nfs/dbraw/zinc/93/07/18/1096930718.db2.gz MDHHWUHDCVWXOE-JTQLQIEISA-N -1 1 308.382 3.282 20 30 DGEDMM C#C[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)C(C)C ZINC001227578814 1096954099 /nfs/dbraw/zinc/95/40/99/1096954099.db2.gz YATHKBMAPKUBKE-INIZCTEOSA-N -1 1 320.344 3.204 20 30 DGEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1[N+](=O)[O-] ZINC001227617339 1096962041 /nfs/dbraw/zinc/96/20/41/1096962041.db2.gz CRBHZPJCPLYGNC-SNVBAGLBSA-N -1 1 309.281 3.184 20 30 DGEDMM N#Cc1c([O-])ccc(O[C@H]2CCC(=O)c3ccccc32)c1C#N ZINC001227617847 1096962431 /nfs/dbraw/zinc/96/24/31/1096962431.db2.gz IAKNHVYTYFJNDR-KRWDZBQOSA-N -1 1 304.305 3.232 20 30 DGEDMM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc([O-])c(C#N)c2C#N)O1 ZINC001227617253 1096962584 /nfs/dbraw/zinc/96/25/84/1096962584.db2.gz BSFDWAHXHQWYEF-FUHWJXTLSA-N -1 1 312.369 3.417 20 30 DGEDMM N#Cc1c([O-])ccc(O[C@@H]2CCCN(c3ccccc3)C2)c1C#N ZINC001227617723 1096962591 /nfs/dbraw/zinc/96/25/91/1096962591.db2.gz HPNFMBGFUGEDEU-OAHLLOKOSA-N -1 1 319.364 3.183 20 30 DGEDMM C[C@@H](Oc1cc([O-])ccc1C#N)c1cc(Br)no1 ZINC001228010792 1097032687 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Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1F ZINC000070431846 431249211 /nfs/dbraw/zinc/24/92/11/431249211.db2.gz ZARQHCPMBPDANV-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000070431842 431249371 /nfs/dbraw/zinc/24/93/71/431249371.db2.gz AXPKCFYWPRBHGL-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000114673943 431403168 /nfs/dbraw/zinc/40/31/68/431403168.db2.gz DMYPXVRQKVSVBR-UHFFFAOYSA-N -1 1 311.366 3.149 20 30 DGEDMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935585 431565845 /nfs/dbraw/zinc/56/58/45/431565845.db2.gz MQMWUTCOXDXTQE-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000033880155 431816423 /nfs/dbraw/zinc/81/64/23/431816423.db2.gz TYXSBIGVYMUGCW-UHFFFAOYSA-N -1 1 316.382 3.146 20 30 DGEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000048652733 431929355 /nfs/dbraw/zinc/92/93/55/431929355.db2.gz NPSYWLUPLGHIPQ-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000184035090 432347646 /nfs/dbraw/zinc/34/76/46/432347646.db2.gz BIIXOAZSSDFWDV-UHFFFAOYSA-N -1 1 318.423 3.222 20 30 DGEDMM CC(=Cc1ccc(F)cc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193615377 432484383 /nfs/dbraw/zinc/48/43/83/432484383.db2.gz XPMPHOAWKCOOOJ-YVMONPNESA-N -1 1 303.724 3.303 20 30 DGEDMM CCc1cc(=O)[nH]c(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000176815556 432555565 /nfs/dbraw/zinc/55/55/65/432555565.db2.gz DXGOSFVKBBXTRS-CYBMUJFWSA-N -1 1 310.401 3.199 20 30 DGEDMM N#CC(=C([O-])c1cc(Br)cs1)c1ccccn1 ZINC000194587536 432560792 /nfs/dbraw/zinc/56/07/92/432560792.db2.gz FZHXMEPNGMSFRU-VIFPVBQESA-N -1 1 307.172 3.396 20 30 DGEDMM N#CC(=C([O-])c1cc(Br)cs1)c1ccccn1 ZINC000194587525 432561175 /nfs/dbraw/zinc/56/11/75/432561175.db2.gz FZHXMEPNGMSFRU-SECBINFHSA-N -1 1 307.172 3.396 20 30 DGEDMM Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C#N)c3)[nH]n2)o1 ZINC000194757703 432574350 /nfs/dbraw/zinc/57/43/50/432574350.db2.gz 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432734857 /nfs/dbraw/zinc/73/48/57/432734857.db2.gz QCGWGSFWCPGSSK-CXAGYDPISA-N -1 1 306.365 3.282 20 30 DGEDMM N#Cc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)cc1[O-] ZINC000188759987 432743302 /nfs/dbraw/zinc/74/33/02/432743302.db2.gz KEPWJWYNQAUUKZ-UHFFFAOYSA-N -1 1 312.291 3.068 20 30 DGEDMM N#CC(=C([O-])c1cc(F)ccc1-c1ccoc1)c1ccncn1 ZINC000361792197 433392187 /nfs/dbraw/zinc/39/21/87/433392187.db2.gz KNRFCZDMONMEFM-OAHLLOKOSA-N -1 1 307.284 3.366 20 30 DGEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ncccc2[O-])cc1 ZINC000426990031 433637116 /nfs/dbraw/zinc/63/71/16/433637116.db2.gz FXGKGHYUBSGXEC-CQSZACIVSA-N -1 1 309.369 3.079 20 30 DGEDMM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1 ZINC000426804757 433603470 /nfs/dbraw/zinc/60/34/70/433603470.db2.gz WKKIKLHNJJGAEF-INIZCTEOSA-N -1 1 315.369 3.458 20 30 DGEDMM Cc1cc(Br)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000362283745 433619224 /nfs/dbraw/zinc/61/92/24/433619224.db2.gz DBXPOAXCEUDORS-LBPRGKRZSA-N -1 1 316.158 3.038 20 30 DGEDMM C=C[C@@H]1CCCCN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000362836533 433881632 /nfs/dbraw/zinc/88/16/32/433881632.db2.gz HMCYUHJHKIPDCZ-OAHLLOKOSA-N -1 1 310.401 3.406 20 30 DGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000303927999 433971558 /nfs/dbraw/zinc/97/15/58/433971558.db2.gz WSULBPPCHBUEOE-UHFFFAOYSA-N -1 1 312.394 3.156 20 30 DGEDMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000436680847 434068039 /nfs/dbraw/zinc/06/80/39/434068039.db2.gz LIXIQSJMEZXJQX-ZDUSSCGKSA-N -1 1 322.364 3.056 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(SC)c(Cl)c1 ZINC000416961867 434261675 /nfs/dbraw/zinc/26/16/75/434261675.db2.gz SQYLQZXYHDEZGO-SECBINFHSA-N -1 1 304.824 3.106 20 30 DGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000439250490 434580010 /nfs/dbraw/zinc/58/00/10/434580010.db2.gz MHEOGJQSKIOQHJ-UHFFFAOYSA-N -1 1 315.398 3.018 20 30 DGEDMM C=CCCOCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476354 434805582 /nfs/dbraw/zinc/80/55/82/434805582.db2.gz 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ZINC000736443583 574753099 /nfs/dbraw/zinc/75/30/99/574753099.db2.gz AIFGOLFPXRTTAT-LBPRGKRZSA-N -1 1 303.414 3.065 20 30 DGEDMM N#Cc1ccc(F)c(COC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000745515602 575398208 /nfs/dbraw/zinc/39/82/08/575398208.db2.gz WGVYVBXHOBGISI-UHFFFAOYSA-N -1 1 307.227 3.038 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000748778260 575605942 /nfs/dbraw/zinc/60/59/42/575605942.db2.gz HMLFFVPXXAPFNY-UHFFFAOYSA-N -1 1 316.336 3.007 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccs3)nc1-2 ZINC000750722949 575747014 /nfs/dbraw/zinc/74/70/14/575747014.db2.gz GDLWXGIPEYXNBQ-QMAVJUDZSA-N -1 1 308.366 3.218 20 30 DGEDMM CCC1(C)CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000751527803 575788802 /nfs/dbraw/zinc/78/88/02/575788802.db2.gz ZBHSWPHRPWWRHD-UHFFFAOYSA-N -1 1 319.430 3.071 20 30 DGEDMM COc1cc2c(c(/C=C3/Oc4cc([O-])ccc4C3=O)c1)O[C@H](C)C2 ZINC000728439859 576181636 /nfs/dbraw/zinc/18/16/36/576181636.db2.gz PRBOXVKJCJPKIP-UWOUAGFBSA-N -1 1 324.332 3.340 20 30 DGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCCC)s1 ZINC000844090387 617682532 /nfs/dbraw/zinc/68/25/32/617682532.db2.gz POANWJDUUQSRTE-UHFFFAOYSA-N -1 1 320.867 3.296 20 30 DGEDMM C=C(Br)COC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000919325663 620746795 /nfs/dbraw/zinc/74/67/95/620746795.db2.gz OLSWSKDGUFBXLD-UHFFFAOYSA-N -1 1 311.135 3.044 20 30 DGEDMM N#CC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCCC1 ZINC000898270948 619230763 /nfs/dbraw/zinc/23/07/63/619230763.db2.gz ZSQUXNDXZOSBDK-UHFFFAOYSA-N -1 1 310.353 3.065 20 30 DGEDMM C#CCc1c(C)[n-]n(Cc2c(OC)ccc3ccccc32)c1=O ZINC000899356682 619328671 /nfs/dbraw/zinc/32/86/71/619328671.db2.gz QARIVLQSGMXMBU-HNNXBMFYSA-N -1 1 306.365 3.206 20 30 DGEDMM Cn1cc(/C=C/C(=O)c2cc([O-])cc(F)c2)c(C(C)(C)C)n1 ZINC000899412261 619338606 /nfs/dbraw/zinc/33/86/06/619338606.db2.gz HUTSWQSYAMJMEQ-AATRIKPKSA-N -1 1 302.349 3.458 20 30 DGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1-c1ncco1 ZINC000901678730 619532705 /nfs/dbraw/zinc/53/27/05/619532705.db2.gz SWHULCJASOMTDM-UHFFFAOYSA-N -1 1 319.386 3.023 20 30 DGEDMM C=CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902778330 619674470 /nfs/dbraw/zinc/67/44/70/619674470.db2.gz OHDRONZUKSCORO-UHFFFAOYSA-N -1 1 314.641 3.148 20 30 DGEDMM C=C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904236226 619903341 /nfs/dbraw/zinc/90/33/41/619903341.db2.gz NOPKQMSDZMSXBI-HNNXBMFYSA-N -1 1 318.417 3.121 20 30 DGEDMM C=C[C@H]1CCCCN1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904236226 619903342 /nfs/dbraw/zinc/90/33/42/619903342.db2.gz NOPKQMSDZMSXBI-HNNXBMFYSA-N -1 1 318.417 3.121 20 30 DGEDMM N#CC1(C(=O)Nc2cccc([O-])c2Br)CCCC1 ZINC000908715657 620221111 /nfs/dbraw/zinc/22/11/11/620221111.db2.gz VWOYWBRHEARQDH-UHFFFAOYSA-N -1 1 309.163 3.177 20 30 DGEDMM Cc1c(C(=O)[O-])oc2c1C(=NNc1nc3ccccc3[nH]1)CCC2 ZINC000915937389 620608744 /nfs/dbraw/zinc/60/87/44/620608744.db2.gz PFAFMLYQVCSGKL-UHFFFAOYSA-N -1 1 324.340 3.315 20 30 DGEDMM CC(=O)Nc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc1 ZINC000915989072 620612107 /nfs/dbraw/zinc/61/21/07/620612107.db2.gz WZKFGTVRTOBPCN-LZYBPNLTSA-N -1 1 309.321 3.275 20 30 DGEDMM Cc1cc(=O)[n-]c(N=NCCCc2c(F)cccc2Cl)n1 ZINC000755463247 620882456 /nfs/dbraw/zinc/88/24/56/620882456.db2.gz GMOGAXJSKZMJRK-UHFFFAOYSA-N -1 1 308.744 3.314 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCCC1 ZINC000921548432 620906988 /nfs/dbraw/zinc/90/69/88/620906988.db2.gz IZCQIBACKWJXPU-LBPRGKRZSA-N -1 1 312.291 3.223 20 30 DGEDMM C#CC1(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)CCCC1 ZINC000922212190 621006594 /nfs/dbraw/zinc/00/65/94/621006594.db2.gz OJCWSESGJBQHAV-UHFFFAOYSA-N -1 1 307.777 3.120 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NC2(Cc3ccccc3)CCC2)c1 ZINC000857301751 621077615 /nfs/dbraw/zinc/07/76/15/621077615.db2.gz WVPKJPFVNSVFRR-UHFFFAOYSA-N -1 1 306.365 3.159 20 30 DGEDMM C[C@H](C#N)Oc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1 ZINC000103250400 621305609 /nfs/dbraw/zinc/30/56/09/621305609.db2.gz NBCLLPOAWRPOJE-XZDJTBRNSA-N -1 1 307.305 3.299 20 30 DGEDMM CC(C)(C)CC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755726391 621588645 /nfs/dbraw/zinc/58/86/45/621588645.db2.gz LBGWCSVJCZURCL-UHFFFAOYSA-N -1 1 304.398 3.121 20 30 DGEDMM O=c1[n-]c(N=NC[C@@H]2CCc3ccccc32)nc2ccccc21 ZINC000755766868 621592246 /nfs/dbraw/zinc/59/22/46/621592246.db2.gz UFTYNRFAJBQTSL-ZDUSSCGKSA-N -1 1 304.353 3.463 20 30 DGEDMM C[C@@](C#N)([N-]C(=O)C(F)(F)c1nccs1)C1CCCCC1 ZINC000756722033 621660122 /nfs/dbraw/zinc/66/01/22/621660122.db2.gz UNHMPNLNAHUDLY-ZDUSSCGKSA-N -1 1 313.373 3.214 20 30 DGEDMM C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000756975746 621677114 /nfs/dbraw/zinc/67/71/14/621677114.db2.gz NOTSVYKAPDLVIH-OAHLLOKOSA-N -1 1 321.348 3.008 20 30 DGEDMM CC(=NN=c1ccc2ccccc2[nH]1)c1cc(C(=O)[O-])ccc1O ZINC000757451401 621712771 /nfs/dbraw/zinc/71/27/71/621712771.db2.gz PLYUULQBBISADT-UHFFFAOYSA-N -1 1 321.336 3.475 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(F)c(F)c2)c1 ZINC000757472536 621714804 /nfs/dbraw/zinc/71/48/04/621714804.db2.gz KACYIECAVXOQDC-GORDUTHDSA-N -1 1 304.248 3.265 20 30 DGEDMM COc1ccc(C)cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757471461 621715030 /nfs/dbraw/zinc/71/50/30/621715030.db2.gz CQZIEKZILVUOML-GQCTYLIASA-N -1 1 312.321 3.304 20 30 DGEDMM Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc(C)c1O ZINC000757472509 621715057 /nfs/dbraw/zinc/71/50/57/621715057.db2.gz JRJDPCJVONEILB-HWKANZROSA-N -1 1 312.321 3.309 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(F)cc2F)c1 ZINC000757474541 621715314 /nfs/dbraw/zinc/71/53/14/621715314.db2.gz UULQFROBMZBQEI-GORDUTHDSA-N -1 1 304.248 3.265 20 30 DGEDMM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1[O-] ZINC000757583252 621726585 /nfs/dbraw/zinc/72/65/85/621726585.db2.gz JFJIXSNAFKGYEU-UHFFFAOYSA-N -1 1 312.304 3.016 20 30 DGEDMM C[C@@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)CC1CCCCC1 ZINC000758125471 621759707 /nfs/dbraw/zinc/75/97/07/621759707.db2.gz YYPFLKRMHXVLNF-LLVKDONJSA-N -1 1 316.409 3.073 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)c3cccnc23)n1 ZINC000760219854 621922182 /nfs/dbraw/zinc/92/21/82/621922182.db2.gz XBLLSTYVKHIRNH-UHFFFAOYSA-N -1 1 313.748 3.138 20 30 DGEDMM CCCc1nsc([N-]c2cnn(Cc3ccc(C#N)cc3)c2)n1 ZINC000866116046 622048208 /nfs/dbraw/zinc/04/82/08/622048208.db2.gz GBSMGSUYHLTSRB-UHFFFAOYSA-N -1 1 324.413 3.351 20 30 DGEDMM CCOc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1CO ZINC000866329915 622095270 /nfs/dbraw/zinc/09/52/70/622095270.db2.gz BBXDOLLKFQFCBP-LBPRGKRZSA-N -1 1 312.369 3.328 20 30 DGEDMM CC(=NNCCOC(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000766029339 622301093 /nfs/dbraw/zinc/30/10/93/622301093.db2.gz KODGPSOZGOXMOC-UHFFFAOYSA-N -1 1 305.205 3.438 20 30 DGEDMM O=C([N-]OCCCC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000871212963 622570670 /nfs/dbraw/zinc/57/06/70/622570670.db2.gz HGCMLYZWYLTWAW-UHFFFAOYSA-N -1 1 319.176 3.247 20 30 DGEDMM Cn1ncc(C2CCC2)c1/C=C\C(=O)c1cccc([O-])c1F ZINC000871672643 622663510 /nfs/dbraw/zinc/66/35/10/622663510.db2.gz TUGAQXPKFNTZTQ-HJWRWDBZSA-N -1 1 300.333 3.428 20 30 DGEDMM Cc1ccc(SCCC[N-]C(=O)C(F)(F)F)c(C#N)c1 ZINC000871686788 622667991 /nfs/dbraw/zinc/66/79/91/622667991.db2.gz GFNUVWSTHHGJJB-UHFFFAOYSA-N -1 1 302.321 3.027 20 30 DGEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(=O)[O-])o1 ZINC000773055909 622973773 /nfs/dbraw/zinc/97/37/73/622973773.db2.gz STUDOWYEAQDORN-UHFFFAOYSA-N -1 1 323.692 3.376 20 30 DGEDMM COc1c([O-])c(C=NNc2c(C)cccc2F)ccc1[N+](=O)[O-] ZINC000773075288 622977748 /nfs/dbraw/zinc/97/77/48/622977748.db2.gz XJHSFIQRWPJRQJ-UHFFFAOYSA-N -1 1 319.292 3.203 20 30 DGEDMM N#Cc1cccc(OCCCOC(=O)c2ccc([O-])cc2F)c1 ZINC000773565410 623046557 /nfs/dbraw/zinc/04/65/57/623046557.db2.gz HKQBWGQLWPHFFQ-UHFFFAOYSA-N -1 1 315.300 3.029 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873495349 623159739 /nfs/dbraw/zinc/15/97/39/623159739.db2.gz KRLCUGJEFBKHPP-LLVKDONJSA-N -1 1 315.354 3.467 20 30 DGEDMM COC(=O)c1ccccc1NN=C(C)c1cc(F)cc(F)c1[O-] ZINC000776187093 623392898 /nfs/dbraw/zinc/39/28/98/623392898.db2.gz HRQFRXJFJZKMBN-UHFFFAOYSA-N -1 1 320.295 3.293 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1F)O2 ZINC000777916339 623584389 /nfs/dbraw/zinc/58/43/89/623584389.db2.gz XPALKMXBNFXKSE-LHHJGKSTSA-N -1 1 315.256 3.364 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc([N+](=O)[O-])cc1F ZINC000777915752 623584477 /nfs/dbraw/zinc/58/44/77/623584477.db2.gz QZDYAWIBRXXMJC-RZNTYIFUSA-N -1 1 301.229 3.056 20 30 DGEDMM CC(C)c1ccc2c(c1)C(=N[N-]c1ncncc1Cl)C(=O)N2 ZINC000780282433 623903575 /nfs/dbraw/zinc/90/35/75/623903575.db2.gz DLIFRAHZAYKIPV-UHFFFAOYSA-N -1 1 315.764 3.022 20 30 DGEDMM O=C([O-])c1ccc(C=NNc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000783787825 624396882 /nfs/dbraw/zinc/39/68/82/624396882.db2.gz FAVRNYBRRWNOJH-UHFFFAOYSA-N -1 1 314.732 3.361 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1[O-] ZINC000785608311 624698144 /nfs/dbraw/zinc/69/81/44/624698144.db2.gz XRNQXPVZAPXQJT-UHFFFAOYSA-N -1 1 324.355 3.423 20 30 DGEDMM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C#N)c1ccc(F)cc1 ZINC000786827540 624956982 /nfs/dbraw/zinc/95/69/82/624956982.db2.gz LMILOQMMZSCUSV-CYBMUJFWSA-N -1 1 319.286 3.002 20 30 DGEDMM C=C(C)CS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC000882818751 625826575 /nfs/dbraw/zinc/82/65/75/625826575.db2.gz YQZUQAFSBRXORV-NSHDSACASA-N -1 1 309.765 3.142 20 30 DGEDMM Cc1cc(=O)[n-]c(N=NC2CCC[C@H](c3ncccc3C)C2)n1 ZINC000799105171 626272135 /nfs/dbraw/zinc/27/21/35/626272135.db2.gz NWOVNDAAWMWHKJ-ZDUSSCGKSA-N -1 1 311.389 3.320 20 30 DGEDMM C#C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1F ZINC000804418816 626677745 /nfs/dbraw/zinc/67/77/45/626677745.db2.gz XCVVIGHZOYAZGW-HNNXBMFYSA-N -1 1 321.710 3.428 20 30 DGEDMM CCOc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806559289 626721091 /nfs/dbraw/zinc/72/10/91/626721091.db2.gz YRFVHYCMOOZRLT-NTMALXAHSA-N -1 1 312.321 3.385 20 30 DGEDMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809610346 626925874 /nfs/dbraw/zinc/92/58/74/626925874.db2.gz QQXGBIQIPQKKNC-NSHDSACASA-N -1 1 314.772 3.278 20 30 DGEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1OC ZINC000221663457 627222468 /nfs/dbraw/zinc/22/24/68/627222468.db2.gz UNMDCZJXCNHMMA-UTCJRWHESA-N -1 1 300.310 3.011 20 30 DGEDMM O=C([O-])c1ccc(N=NCc2cscc2C(F)(F)F)nc1 ZINC000811646444 627298697 /nfs/dbraw/zinc/29/86/97/627298697.db2.gz ZSLHGDAIESOAQH-UHFFFAOYSA-N -1 1 315.276 3.306 20 30 DGEDMM C[C@@H](COc1ccccc1)NN=Cc1ccc([O-])c(Cl)c1 ZINC000811668661 627304183 /nfs/dbraw/zinc/30/41/83/627304183.db2.gz RFEVAWDMKPKQNZ-LBPRGKRZSA-N -1 1 304.777 3.437 20 30 DGEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cc(C(F)(F)F)ccn1 ZINC000813216408 627468119 /nfs/dbraw/zinc/46/81/19/627468119.db2.gz QYOSBRPGXFKALS-PCAWENJQSA-N -1 1 305.259 3.318 20 30 DGEDMM Cn1nccc1-c1ccccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000814187759 627548395 /nfs/dbraw/zinc/54/83/95/627548395.db2.gz RNHDIOQBWMPIAR-VCHYOVAHSA-N -1 1 318.332 3.409 20 30 DGEDMM Cc1nc2sccc2c(=O)n1N=Cc1cccc([O-])c1Cl ZINC000814770887 627589691 /nfs/dbraw/zinc/58/96/91/627589691.db2.gz HYASQJQULOAEMR-UHFFFAOYSA-N -1 1 319.773 3.008 20 30 DGEDMM Nc1ccc2c(c1)C(N=Nc1nc3ccccc3c(=O)[n-]1)CCC2 ZINC000814869247 627600721 /nfs/dbraw/zinc/60/07/21/627600721.db2.gz VHSOXRVPJVGTEJ-UHFFFAOYSA-N -1 1 319.368 3.070 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(NC(C)=O)cc2)c1 ZINC000034645126 628076336 /nfs/dbraw/zinc/07/63/36/628076336.db2.gz YVJHJNSSQUSGED-WEVVVXLNSA-N -1 1 311.337 3.255 20 30 DGEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)O2 ZINC000822213145 628429876 /nfs/dbraw/zinc/42/98/76/628429876.db2.gz WNIWMHHGQZXKGB-QPEQYQDCSA-N -1 1 324.365 3.161 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc(F)cc(F)c1 ZINC000822923417 628509378 /nfs/dbraw/zinc/50/93/78/628509378.db2.gz RFJPTMXRUZVCFM-IWQZZHSRSA-N -1 1 318.308 3.103 20 30 DGEDMM C=CCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000823888067 628607207 /nfs/dbraw/zinc/60/72/07/628607207.db2.gz DYSAZFCNNQZSAN-UHFFFAOYSA-N -1 1 305.407 3.130 20 30 DGEDMM C=CCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823888067 628607211 /nfs/dbraw/zinc/60/72/11/628607211.db2.gz DYSAZFCNNQZSAN-UHFFFAOYSA-N -1 1 305.407 3.130 20 30 DGEDMM C=CC[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823919724 628610241 /nfs/dbraw/zinc/61/02/41/628610241.db2.gz OLCZTNJFYNMIKM-UHFFFAOYSA-N -1 1 323.375 3.194 20 30 DGEDMM C=CC[N@@H+](Cc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823919724 628610243 /nfs/dbraw/zinc/61/02/43/628610243.db2.gz OLCZTNJFYNMIKM-UHFFFAOYSA-N -1 1 323.375 3.194 20 30 DGEDMM CCCC1CCC(CN=Nc2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000825253547 628743164 /nfs/dbraw/zinc/74/31/64/628743164.db2.gz NYGDZFFHBVNYQW-UHFFFAOYSA-N -1 1 317.397 3.167 20 30 DGEDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000825256685 628743602 /nfs/dbraw/zinc/74/36/02/628743602.db2.gz ZIJQAOIKKRTHQT-UKRRQHHQSA-N -1 1 320.820 3.060 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000826054877 628823980 /nfs/dbraw/zinc/82/39/80/628823980.db2.gz RSSPIWLIIDBAJV-SJKOYZFVSA-N -1 1 312.344 3.249 20 30 DGEDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000826054876 628824088 /nfs/dbraw/zinc/82/40/88/628824088.db2.gz RSSPIWLIIDBAJV-SJCJKPOMSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000826286281 628839793 /nfs/dbraw/zinc/83/97/93/628839793.db2.gz XIFSNXIABNPEIZ-WAYWQWQTSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826286281 628839795 /nfs/dbraw/zinc/83/97/95/628839795.db2.gz XIFSNXIABNPEIZ-WAYWQWQTSA-N -1 1 310.382 3.441 20 30 DGEDMM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400202 628851772 /nfs/dbraw/zinc/85/17/72/628851772.db2.gz RXNTUOOUAXIHIJ-PLNGDYQASA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400202 628851775 /nfs/dbraw/zinc/85/17/75/628851775.db2.gz RXNTUOOUAXIHIJ-PLNGDYQASA-N -1 1 318.308 3.103 20 30 DGEDMM C[C@H]1c2ccccc2OCCN1[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828526809 629062575 /nfs/dbraw/zinc/06/25/75/629062575.db2.gz DPJZEBRIVJXWRX-SCLBCKFNSA-N -1 1 322.364 3.140 20 30 DGEDMM CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000830906406 629318926 /nfs/dbraw/zinc/31/89/26/629318926.db2.gz LCOQJTKYHYBKEG-HUUCEWRRSA-N -1 1 321.469 3.292 20 30 DGEDMM CC(=NNc1cc(C)ccc1F)c1ccccc1OCC(=O)[O-] ZINC000833386677 629597668 /nfs/dbraw/zinc/59/76/68/629597668.db2.gz RRICWEGWTPMPGR-UHFFFAOYSA-N -1 1 316.332 3.434 20 30 DGEDMM O=C([O-])NC1(C/N=C/c2cc(Cl)cc(Cl)c2O)CCC1 ZINC000834155517 629673646 /nfs/dbraw/zinc/67/36/46/629673646.db2.gz ZSKXAMKZJQMOLX-OMCISZLKSA-N -1 1 317.172 3.308 20 30 DGEDMM CC(=NNc1cccc(Cl)n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000793174660 661010330 /nfs/dbraw/zinc/01/03/30/661010330.db2.gz KJUNYPQFHFQQOT-UHFFFAOYSA-N -1 1 307.712 3.408 20 30 DGEDMM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC000794926371 661114044 /nfs/dbraw/zinc/11/40/44/661114044.db2.gz LAPSVKIFVCIMDH-ALCCZGGFSA-N -1 1 305.236 3.475 20 30 DGEDMM CN(C)c1ccccc1CNN=Cc1ccc([O-])c(Cl)c1 ZINC000794956064 661116413 /nfs/dbraw/zinc/11/64/13/661116413.db2.gz LSAIJXOXVMOVRB-UHFFFAOYSA-N -1 1 303.793 3.235 20 30 DGEDMM Cc1cn2c(/C=C\C(=O)c3cc(O)ccc3[O-])c(C)nc2s1 ZINC000255046728 655572233 /nfs/dbraw/zinc/57/22/33/655572233.db2.gz RLFQTILJPBMMQY-XQRVVYSFSA-N -1 1 314.366 3.320 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cn(C)nc2-c2ccncc2)c1 ZINC000255282583 655681317 /nfs/dbraw/zinc/68/13/17/655681317.db2.gz SEFKHRLJVMMNKO-XQRVVYSFSA-N -1 1 319.364 3.392 20 30 DGEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)c1 ZINC000127575391 655775615 /nfs/dbraw/zinc/77/56/15/655775615.db2.gz QGSZSNRWQYPDNK-LLVKDONJSA-N -1 1 302.717 3.203 20 30 DGEDMM COc1ccc(OC)c(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000255565689 655802296 /nfs/dbraw/zinc/80/22/96/655802296.db2.gz HBMQNTCKTQDJCG-UTCJRWHESA-N -1 1 300.310 3.011 20 30 DGEDMM CCOc1cc(/C=C\C(=O)c2cc(OC)ccc2[O-])ccc1O ZINC000255692283 655890121 /nfs/dbraw/zinc/89/01/21/655890121.db2.gz JIZNYNXCQLVJPM-DAXSKMNVSA-N -1 1 314.337 3.401 20 30 DGEDMM COc1cccc(OC)c1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000182253398 656104125 /nfs/dbraw/zinc/10/41/25/656104125.db2.gz OVQHYNVILVJPMZ-VQHVLOKHSA-N -1 1 300.310 3.011 20 30 DGEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(C)C ZINC000305902473 658082152 /nfs/dbraw/zinc/08/21/52/658082152.db2.gz CLDIDENYMXDZOA-SECBINFHSA-N -1 1 324.204 3.069 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000128425701 658741556 /nfs/dbraw/zinc/74/15/56/658741556.db2.gz CSCOEBMYWDGROH-GFCCVEGCSA-N -1 1 316.744 3.457 20 30 DGEDMM C#CCOc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000173379748 659383087 /nfs/dbraw/zinc/38/30/87/659383087.db2.gz PGQRTHMZJAQVBT-UHFFFAOYSA-N -1 1 301.729 3.310 20 30 DGEDMM CCCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000173966160 659406092 /nfs/dbraw/zinc/40/60/92/659406092.db2.gz LCVAKKDVIXDOEJ-LBPRGKRZSA-N -1 1 313.382 3.057 20 30 DGEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000233357651 659917840 /nfs/dbraw/zinc/91/78/40/659917840.db2.gz HJRCNMBROSLBLH-SSDOTTSWSA-N -1 1 312.243 3.135 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000071827455 660152541 /nfs/dbraw/zinc/15/25/41/660152541.db2.gz LANWQXWSUPKQOC-UHFFFAOYSA-N -1 1 309.749 3.261 20 30 DGEDMM C=CC1(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CCCCC1 ZINC000935830460 661814039 /nfs/dbraw/zinc/81/40/39/661814039.db2.gz YOWOMAWLCOKZNE-UHFFFAOYSA-N -1 1 319.405 3.008 20 30 DGEDMM C=CC[C@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077615379 662034008 /nfs/dbraw/zinc/03/40/08/662034008.db2.gz WCNBEGBEAGOSQO-NSHDSACASA-N -1 1 320.389 3.434 20 30 DGEDMM N#C[C@H]([N-]C(=O)C(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000194550830 662168403 /nfs/dbraw/zinc/16/84/03/662168403.db2.gz BPOPUHSYIPTVFX-HNNXBMFYSA-N -1 1 316.307 3.212 20 30 DGEDMM C=CCC1(CN=Nc2oc(C)nc2-c2nn[n-]n2)CCCCC1 ZINC001588557781 1192450241 /nfs/dbraw/zinc/45/02/41/1192450241.db2.gz UXJWLIXHUXDKPL-UHFFFAOYSA-N -1 1 315.381 3.087 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)C[C@H]2C)o1 ZINC001590191479 1192492402 /nfs/dbraw/zinc/49/24/02/1192492402.db2.gz JERZIIBMJPUIEC-SECBINFHSA-N -1 1 317.397 3.202 20 30 DGEDMM CCCC(CCC)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001590554835 1192520829 /nfs/dbraw/zinc/52/08/29/1192520829.db2.gz LZEDXELWUKMKIY-UHFFFAOYSA-N -1 1 305.386 3.346 20 30 DGEDMM CCCCCCCCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590592150 1192528211 /nfs/dbraw/zinc/52/82/11/1192528211.db2.gz FELXRLKVEAPFAL-UHFFFAOYSA-N -1 1 307.423 3.019 20 30 DGEDMM CCCCCCCCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590592150 1192528218 /nfs/dbraw/zinc/52/82/18/1192528218.db2.gz FELXRLKVEAPFAL-UHFFFAOYSA-N -1 1 307.423 3.019 20 30 DGEDMM CCCCCCC[C@H](C)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590593020 1192530437 /nfs/dbraw/zinc/53/04/37/1192530437.db2.gz SMNBTELAALGHBQ-LBPRGKRZSA-N -1 1 303.414 3.065 20 30 DGEDMM CCCCCCC[C@H](C)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590593020 1192530442 /nfs/dbraw/zinc/53/04/42/1192530442.db2.gz SMNBTELAALGHBQ-LBPRGKRZSA-N -1 1 303.414 3.065 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C#N ZINC001591958910 1192584113 /nfs/dbraw/zinc/58/41/13/1192584113.db2.gz ICAAHMRFNFMLAJ-HWKANZROSA-N -1 1 321.365 3.004 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C#N ZINC001591958910 1192584115 /nfs/dbraw/zinc/58/41/15/1192584115.db2.gz ICAAHMRFNFMLAJ-HWKANZROSA-N -1 1 321.365 3.004 20 30 DGEDMM N#Cc1cc(NCc2csc(-c3nn[n-]n3)c2)ccc1C1CC1 ZINC001592689830 1192626550 /nfs/dbraw/zinc/62/65/50/1192626550.db2.gz DAPXRTCROHRTEX-UHFFFAOYSA-N -1 1 322.397 3.289 20 30 DGEDMM N#Cc1cccc(CSc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001592701090 1192627648 /nfs/dbraw/zinc/62/76/48/1192627648.db2.gz CFSMKHMDRCZRFO-UHFFFAOYSA-N -1 1 311.345 3.170 20 30 DGEDMM N#Cc1ccccc1CSc1cccc(F)c1-c1nn[n-]n1 ZINC001592701596 1192627789 /nfs/dbraw/zinc/62/77/89/1192627789.db2.gz LOXFXNZFZBEVBR-UHFFFAOYSA-N -1 1 311.345 3.170 20 30 DGEDMM Cc1c(C(=O)[O-])cc(C=NNc2nc3ccccc3s2)n1C ZINC001599984344 1192780094 /nfs/dbraw/zinc/78/00/94/1192780094.db2.gz GBGOKBXKTWYZLO-UHFFFAOYSA-N -1 1 314.370 3.087 20 30 DGEDMM Cc1c(C(=O)[O-])cc(C=[NH+][N-]c2nc3ccccc3s2)n1C ZINC001599984344 1192780095 /nfs/dbraw/zinc/78/00/95/1192780095.db2.gz GBGOKBXKTWYZLO-UHFFFAOYSA-N -1 1 314.370 3.087 20 30 DGEDMM Cc1cc(C=NNc2nc3ccccc3s2)[nH]c1C(=O)[O-] ZINC001600185100 1192800342 /nfs/dbraw/zinc/80/03/42/1192800342.db2.gz GRRDYBXSDHGAOK-UHFFFAOYSA-N -1 1 300.343 3.077 20 30 DGEDMM Cc1ccc([C@@H](NCc2cc(C#N)ccc2F)C(=O)[O-])cc1C ZINC001600383963 1192840431 /nfs/dbraw/zinc/84/04/31/1192840431.db2.gz CLEGDEBWVXOFRA-QGZVFWFLSA-N -1 1 312.344 3.230 20 30 DGEDMM Cn1c(CN=Nc2c(Cl)cccc2Cl)ccc1C(=O)[O-] ZINC001600911599 1192909848 /nfs/dbraw/zinc/90/98/48/1192909848.db2.gz ITXWDTFHPLKIDZ-UHFFFAOYSA-N -1 1 312.156 3.476 20 30 DGEDMM N#Cc1c(CN[C@H](c2ccccc2)C2CC2)cccc1C(=O)[O-] ZINC001601082751 1192916465 /nfs/dbraw/zinc/91/64/65/1192916465.db2.gz YVXIBWUCAFHWLC-GOSISDBHSA-N -1 1 306.365 3.497 20 30 DGEDMM Cc1cccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC001342677017 1179172061 /nfs/dbraw/zinc/17/20/61/1179172061.db2.gz QQNSUELMFGJAPU-QGZVFWFLSA-N -1 1 323.396 3.485 20 30 DGEDMM C#C[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001602681536 1192994385 /nfs/dbraw/zinc/99/43/85/1192994385.db2.gz NJTQBZQURROLBF-IINYFYTJSA-N -1 1 312.196 3.464 20 30 DGEDMM C=C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC001602804958 1192997886 /nfs/dbraw/zinc/99/78/86/1192997886.db2.gz VRMCWBIGXGHAKC-GFCCVEGCSA-N -1 1 321.336 3.169 20 30 DGEDMM C=CCN(CC=C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001602891076 1193001832 /nfs/dbraw/zinc/00/18/32/1193001832.db2.gz VKJMWXUDXIKZNJ-UHFFFAOYSA-N -1 1 310.191 3.321 20 30 DGEDMM CC(=NNc1ccc(F)cc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001602992142 1193005127 /nfs/dbraw/zinc/00/51/27/1193005127.db2.gz KSVROIFIGMGYOZ-UHFFFAOYSA-N -1 1 320.295 3.264 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCCCC2)o1 ZINC001603406362 1193017399 /nfs/dbraw/zinc/01/73/99/1193017399.db2.gz FPCVGAKOQZWTKM-UHFFFAOYSA-N -1 1 303.370 3.100 20 30 DGEDMM CC(C)(C)c1coc(C=NNc2cccc(F)c2C(=O)[O-])n1 ZINC001603549207 1193020583 /nfs/dbraw/zinc/02/05/83/1193020583.db2.gz JUJKBPZMNGALTP-UHFFFAOYSA-N -1 1 305.309 3.255 20 30 DGEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001300735291 1180919765 /nfs/dbraw/zinc/91/97/65/1180919765.db2.gz DLCSZDUSZMAFES-CJNGLKHVSA-N -1 1 301.386 3.378 20 30 DGEDMM CC[C@@](NCc1cccc(F)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001605100824 1193113492 /nfs/dbraw/zinc/11/34/92/1193113492.db2.gz XVLWMGUIHSTCOE-SFHVURJKSA-N -1 1 312.344 3.177 20 30 DGEDMM CC(C)c1cc(C(=O)Nc2n[nH]cc2C#N)c([O-])c(C(C)C)c1 ZINC001452035747 1182278966 /nfs/dbraw/zinc/27/89/66/1182278966.db2.gz RGFUGQKLLAUHPR-UHFFFAOYSA-N -1 1 312.373 3.486 20 30 DGEDMM Cc1cccc2c1[C@H](C)C(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001605931150 1193185118 /nfs/dbraw/zinc/18/51/18/1193185118.db2.gz SYXKRKTVSVSJIK-NJQKBMNKSA-N -1 1 323.381 3.015 20 30 DGEDMM Cc1cccc2c1[C@H](C)C(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001605931150 1193185120 /nfs/dbraw/zinc/18/51/20/1193185120.db2.gz SYXKRKTVSVSJIK-NJQKBMNKSA-N -1 1 323.381 3.015 20 30 DGEDMM C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc(C(=O)[O-])cn1 ZINC001606116949 1193190875 /nfs/dbraw/zinc/19/08/75/1193190875.db2.gz FELCNDIAJXDOEE-UHFFFAOYSA-N -1 1 301.390 3.076 20 30 DGEDMM C[C@@H]1CC[C@](C)(C=CC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(C)C ZINC001469565904 1183418416 /nfs/dbraw/zinc/41/84/16/1183418416.db2.gz GHBTVLNFXSFCNF-YDPLOHEISA-N -1 1 311.389 3.110 20 30 DGEDMM C=CCCSCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001469908836 1183445894 /nfs/dbraw/zinc/44/58/94/1183445894.db2.gz KLUGTRAGWGVJDZ-UHFFFAOYSA-N -1 1 320.389 3.119 20 30 DGEDMM COc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)on1 ZINC001472617583 1183656902 /nfs/dbraw/zinc/65/69/02/1183656902.db2.gz LRRNYKILVNWVDH-UHFFFAOYSA-N -1 1 317.128 3.022 20 30 DGEDMM CCCCCCCC[C@H](CO)NC(=O)c1ccc([O-])cc1F ZINC001653589303 1195737088 /nfs/dbraw/zinc/73/70/88/1195737088.db2.gz DOZADDGQPRXYNM-CYBMUJFWSA-N -1 1 311.397 3.373 20 30 DGEDMM N#Cc1c(CN2CC[C@@H]2Cc2ccccc2)cccc1C(=O)[O-] ZINC001608191200 1193282435 /nfs/dbraw/zinc/28/24/35/1193282435.db2.gz INHBHFAEPAIWFU-MRXNPFEDSA-N -1 1 306.365 3.073 20 30 DGEDMM O=C([O-])c1c(F)cccc1NN=Cc1cccc(-n2cccn2)c1 ZINC001608828589 1193305959 /nfs/dbraw/zinc/30/59/59/1193305959.db2.gz NHZINPOTOQDFRB-UHFFFAOYSA-N -1 1 324.315 3.156 20 30 DGEDMM CC(CCC1CC1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001609109687 1193324528 /nfs/dbraw/zinc/32/45/28/1193324528.db2.gz CXPZHFVXXKEQTO-UHFFFAOYSA-N -1 1 317.397 3.130 20 30 DGEDMM C=C(C)[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(F)c(F)c1 ZINC001609226530 1193332546 /nfs/dbraw/zinc/33/25/46/1193332546.db2.gz RKGXMKKEYLZWSN-HNNXBMFYSA-N -1 1 306.312 3.398 20 30 DGEDMM CC(N=Nc1cccc(F)c1C(=O)[O-])c1cc(N)ccc1F ZINC001609556773 1193344299 /nfs/dbraw/zinc/34/42/99/1193344299.db2.gz KBJXVFOWHXZWQI-UHFFFAOYSA-N -1 1 305.284 3.081 20 30 DGEDMM C[C@@H](Oc1cccnc1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001611662765 1193439618 /nfs/dbraw/zinc/43/96/18/1193439618.db2.gz VPKBZORTFRTVTK-CQSZACIVSA-N -1 1 322.364 3.420 20 30 DGEDMM N#Cc1c(F)cccc1SCC(=O)c1ccc([O-])cc1O ZINC001613821995 1193477029 /nfs/dbraw/zinc/47/70/29/1193477029.db2.gz XJSUXENXRWNTJH-UHFFFAOYSA-N -1 1 303.314 3.084 20 30 DGEDMM CCCCCCCC[C@@H](CO)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001558762513 1189146654 /nfs/dbraw/zinc/14/66/54/1189146654.db2.gz VVOWZPUGLUUVQC-INIZCTEOSA-N -1 1 318.417 3.105 20 30 DGEDMM Cc1cccc(OCC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001559032580 1189163993 /nfs/dbraw/zinc/16/39/93/1189163993.db2.gz AKLIENBFJGKYRI-UHFFFAOYSA-N -1 1 305.761 3.445 20 30 DGEDMM CC(C)(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC001622035272 1193881703 /nfs/dbraw/zinc/88/17/03/1193881703.db2.gz QRTQZZQQNOLISK-CHWSQXEVSA-N -1 1 324.446 3.425 20 30 DGEDMM N#Cc1ccc2c(c1)CCN2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001626271805 1194069711 /nfs/dbraw/zinc/06/97/11/1194069711.db2.gz MEYJGALYWKXFFS-UHFFFAOYSA-N -1 1 312.756 3.049 20 30 DGEDMM N#Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC001629949933 1194260917 /nfs/dbraw/zinc/26/09/17/1194260917.db2.gz JPDXSALWLVDYFA-UHFFFAOYSA-N -1 1 323.171 3.340 20 30 DGEDMM C=CCOc1ccccc1CNC(=O)c1cccc([O-])c1F ZINC001633739262 1194452817 /nfs/dbraw/zinc/45/28/17/1194452817.db2.gz FTMLUBVVTPFCCF-UHFFFAOYSA-N -1 1 301.317 3.026 20 30 DGEDMM C#CC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1ccccc1 ZINC001636574454 1194622211 /nfs/dbraw/zinc/62/22/11/1194622211.db2.gz WTERJCVHICRYJF-QGZVFWFLSA-N -1 1 307.349 3.008 20 30 DGEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001637848526 1194690211 /nfs/dbraw/zinc/69/02/11/1194690211.db2.gz WBGMRDIIAZZQMX-QGZVFWFLSA-N -1 1 323.392 3.430 20 30 DGEDMM C=CCOc1ccc(CC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC001638589572 1194726432 /nfs/dbraw/zinc/72/64/32/1194726432.db2.gz WRSAYBHBYYGYHI-UHFFFAOYSA-N -1 1 318.760 3.187 20 30 DGEDMM C=CCC[C@H]1CCCN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001638645180 1194730351 /nfs/dbraw/zinc/73/03/51/1194730351.db2.gz CJZKARBNPPJBCI-LBPRGKRZSA-N -1 1 324.371 3.353 20 30 DGEDMM N#Cc1ccccc1OCC(=O)N([O-])Cc1ccccc1Cl ZINC001639054507 1194748707 /nfs/dbraw/zinc/74/87/07/1194748707.db2.gz PBTRYVBYKVXLCX-UHFFFAOYSA-N -1 1 316.744 3.008 20 30 DGEDMM N#Cc1cccc(-c2cc(C(=O)Nc3cccc(F)c3[O-])on2)c1 ZINC001642769369 1194937423 /nfs/dbraw/zinc/93/74/23/1194937423.db2.gz WMOHOJURSIGUKA-UHFFFAOYSA-N -1 1 323.283 3.310 20 30 DGEDMM C#CCC1(NC(=O)c2ncc3ccccc3c2[O-])CCCCC1 ZINC001645275889 1195171910 /nfs/dbraw/zinc/17/19/10/1195171910.db2.gz KSTHHAUSPOSOET-UHFFFAOYSA-N -1 1 308.381 3.396 20 30 DGEDMM CC1(C)C[C@@]1(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001646334537 1195223979 /nfs/dbraw/zinc/22/39/79/1195223979.db2.gz WDADXFGLLVSXSJ-HXUWFJFHSA-N -1 1 320.392 3.362 20 30 DGEDMM C=CC[S@](=O)(=NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001646625318 1195237208 /nfs/dbraw/zinc/23/72/08/1195237208.db2.gz NZZOXALRWUKWTI-JOCHJYFZSA-N -1 1 319.357 3.385 20 30 DGEDMM C[C@H](CCc1ccccc1F)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001648729282 1195326134 /nfs/dbraw/zinc/32/61/34/1195326134.db2.gz GXUKYAPBZUUIFJ-CYBMUJFWSA-N -1 1 312.344 3.376 20 30 DGEDMM N#Cc1ccc(CCC(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC001651346820 1195447799 /nfs/dbraw/zinc/44/77/99/1195447799.db2.gz 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Cc1c2cc(C)ccc2oc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001150778384 1092822868 /nfs/dbraw/zinc/82/28/68/1092822868.db2.gz PZYIIJCSCOXAFW-UHFFFAOYSA-N -1 1 323.352 3.489 20 30 DGEDMM Cc1ccc(C#N)cc1Nc1nc(Br)ccc1[O-] ZINC001210498540 1093188894 /nfs/dbraw/zinc/18/88/94/1093188894.db2.gz MLVXNTGBBBYXFX-UHFFFAOYSA-N -1 1 304.147 3.473 20 30 DGEDMM N#Cc1cccc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)c1 ZINC001213591653 1093618476 /nfs/dbraw/zinc/61/84/76/1093618476.db2.gz KRDCRMUFFCALJD-UHFFFAOYSA-N -1 1 305.219 3.017 20 30 DGEDMM N#Cc1cccc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)c1 ZINC001213591653 1093618481 /nfs/dbraw/zinc/61/84/81/1093618481.db2.gz KRDCRMUFFCALJD-UHFFFAOYSA-N -1 1 305.219 3.017 20 30 DGEDMM CCOc1ccc(C(=O)[O-])cc1Nc1cc(C#N)c(F)cc1O ZINC001214276481 1093748291 /nfs/dbraw/zinc/74/82/91/1093748291.db2.gz INYHHQJRPVOKTJ-UHFFFAOYSA-N -1 1 316.288 3.243 20 30 DGEDMM N#Cc1ccc(F)c(Nc2nc(Br)ccc2[O-])c1 ZINC001214590317 1093804951 /nfs/dbraw/zinc/80/49/51/1093804951.db2.gz GYAJREQLMXCATG-UHFFFAOYSA-N -1 1 308.110 3.304 20 30 DGEDMM COc1cccc(-c2nc(-c3cc(C#N)ccc3F)no2)c1[O-] ZINC001215141876 1093925061 /nfs/dbraw/zinc/92/50/61/1093925061.db2.gz FRBAIIITVWQLHA-UHFFFAOYSA-N -1 1 311.272 3.129 20 30 DGEDMM CCc1cc([N-]c2nnc(Br)s2)ccc1C#N ZINC001216313815 1094172694 /nfs/dbraw/zinc/17/26/94/1094172694.db2.gz WVAOZBMGAWGZQJ-UHFFFAOYSA-N -1 1 309.192 3.478 20 30 DGEDMM CCCCn1ncc(C([O-])=C(C#N)c2cccc(F)n2)c1C ZINC001122636276 1095023340 /nfs/dbraw/zinc/02/33/40/1095023340.db2.gz FSLXXFYEBPMQSM-LBPRGKRZSA-N -1 1 300.337 3.016 20 30 DGEDMM CC(C)N(CCc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC001116718768 1095642019 /nfs/dbraw/zinc/64/20/19/1095642019.db2.gz LLMUBSJPHMMQGF-UHFFFAOYSA-N -1 1 308.381 3.357 20 30 DGEDMM CCOC(=O)[C@@H]1CCC[C@@H]1O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223593109 1096010155 /nfs/dbraw/zinc/01/01/55/1096010155.db2.gz IGEUOGLFVBHHFJ-VDXSDERCSA-N -1 1 311.765 3.224 20 30 DGEDMM CCOC(=O)[C@@H]1CC[C@@H](O/C(=N\[O-])c2ccc(Cl)cc2)C1 ZINC001223594639 1096011310 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C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001227120915 1096873721 /nfs/dbraw/zinc/87/37/21/1096873721.db2.gz WRJXHOSSCIUNNG-AWEZNQCLSA-N -1 1 303.402 3.185 20 30 DGEDMM C[C@H](Oc1nccc(=S)[n-]1)C(F)(F)C(F)(F)C(F)(F)F ZINC001228125054 1097056702 /nfs/dbraw/zinc/05/67/02/1097056702.db2.gz BOPOBEXOBHZPSO-BYPYZUCNSA-N -1 1 324.221 3.366 20 30 DGEDMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)C#C[Si](C)(C)C ZINC001228554420 1097140897 /nfs/dbraw/zinc/14/08/97/1097140897.db2.gz IPQANPAAWCOICH-LLVKDONJSA-N -1 1 306.434 3.339 20 30 DGEDMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C#N)c1ccccc1F ZINC001228553328 1097140924 /nfs/dbraw/zinc/14/09/24/1097140924.db2.gz AQHFOKAKTXOERF-MRXNPFEDSA-N -1 1 315.300 3.473 20 30 DGEDMM N#Cc1cc(F)cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689384 1097276599 /nfs/dbraw/zinc/27/65/99/1097276599.db2.gz BHKCRCAIUIMDRX-UHFFFAOYSA-N -1 1 323.209 3.156 20 30 DGEDMM N#Cc1cc(F)cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689384 1097276603 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N#Cc1ccc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)cc1[O-] ZINC000421953191 433817897 /nfs/dbraw/zinc/81/78/97/433817897.db2.gz FMFZNEJAABAPTH-SNVBAGLBSA-N -1 1 312.291 3.068 20 30 DGEDMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000436680843 434064567 /nfs/dbraw/zinc/06/45/67/434064567.db2.gz LIXIQSJMEZXJQX-CYBMUJFWSA-N -1 1 322.364 3.056 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000416961406 434261939 /nfs/dbraw/zinc/26/19/39/434261939.db2.gz SBJRPKVOPLSSFQ-ZETCQYMHSA-N -1 1 308.737 3.321 20 30 DGEDMM N#Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000358102688 434331879 /nfs/dbraw/zinc/33/18/79/434331879.db2.gz ZVSHUUHCFWCVJU-HNNXBMFYSA-N -1 1 310.328 3.033 20 30 DGEDMM CCc1nc(SCc2cc(F)ccc2C#N)[n-]c(=O)c1C ZINC000517966522 294700361 /nfs/dbraw/zinc/70/03/61/294700361.db2.gz XOIMACVMVDRQSD-UHFFFAOYSA-N -1 1 303.362 3.356 20 30 DGEDMM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000450993074 434521719 /nfs/dbraw/zinc/52/17/19/434521719.db2.gz 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O=C([O-])c1ccccc1N=NCc1ccc(OCC(F)F)cc1 ZINC000741811881 574972376 /nfs/dbraw/zinc/97/23/76/574972376.db2.gz FKZASOBBEZWBIY-UHFFFAOYSA-N -1 1 320.295 3.475 20 30 DGEDMM CCCc1cc(=O)[n-]c(SCc2ccc(OCC#N)cc2)n1 ZINC000729241112 575230032 /nfs/dbraw/zinc/23/00/32/575230032.db2.gz LDBOBPFGSVGWCP-UHFFFAOYSA-N -1 1 315.398 3.329 20 30 DGEDMM COc1ccccc1CC(N=Nc1nc(C)cc(=O)[n-]1)C(C)C ZINC000748245906 575575323 /nfs/dbraw/zinc/57/53/23/575575323.db2.gz GFAWRDNMSFCIDO-UHFFFAOYSA-N -1 1 314.389 3.166 20 30 DGEDMM N#Cc1ccsc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000748664655 575600243 /nfs/dbraw/zinc/60/02/43/575600243.db2.gz LMCJSWDKQZLJDN-UHFFFAOYSA-N -1 1 300.236 3.428 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)s2)cc1 ZINC000750684209 575745288 /nfs/dbraw/zinc/74/52/88/575745288.db2.gz NMDQPEUQEYASNP-AWEZNQCLSA-N -1 1 323.377 3.143 20 30 DGEDMM CC(=NNC(=S)Nc1ccccc1)c1ccc(F)cc1[O-] ZINC000727777017 576144836 /nfs/dbraw/zinc/14/48/36/576144836.db2.gz LVIDEFFZVAHSAD-UHFFFAOYSA-N -1 1 303.362 3.242 20 30 DGEDMM CC(=NNC(=S)NC1CCCCC1)c1ccc(F)cc1[O-] ZINC000727777241 576145110 /nfs/dbraw/zinc/14/51/10/576145110.db2.gz NOVYMXFTEDTKDS-UHFFFAOYSA-N -1 1 309.410 3.052 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000916907394 620650076 /nfs/dbraw/zinc/65/00/76/620650076.db2.gz AFUZFVQZTYCBRL-JTQLQIEISA-N -1 1 302.717 3.203 20 30 DGEDMM C[C@@H](Oc1ccc(C=NNc2cccc(F)c2F)cc1)C(=O)[O-] ZINC000794914960 602075432 /nfs/dbraw/zinc/07/54/32/602075432.db2.gz OIFZXOIWPGXFJZ-SNVBAGLBSA-N -1 1 320.295 3.263 20 30 DGEDMM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccccc2O)cc1)C(=O)[O-] ZINC000794698960 602112206 /nfs/dbraw/zinc/11/22/06/602112206.db2.gz CRIMUDPKRJZIKM-NXIHDVOMSA-N -1 1 312.321 3.140 20 30 DGEDMM Cc1nn(C)cc1C(=O)/C=C\c1ccc([O-])c(Br)c1 ZINC000917520718 620671603 /nfs/dbraw/zinc/67/16/03/620671603.db2.gz YZZVRGHVEXLSPX-HYXAFXHYSA-N -1 1 321.174 3.093 20 30 DGEDMM [O-]c1cc(Br)ccc1C=NO[C@@H]1CCCCO1 ZINC000853325206 620686632 /nfs/dbraw/zinc/68/66/32/620686632.db2.gz 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619473971 /nfs/dbraw/zinc/47/39/71/619473971.db2.gz HNRGJARKAVIOPM-UHFFFAOYSA-N -1 1 312.373 3.218 20 30 DGEDMM C[C@@H]1C[C@@H](NN=Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000901307601 619483733 /nfs/dbraw/zinc/48/37/33/619483733.db2.gz NOMOWVWMYPDATK-ILWJIGKKSA-N -1 1 300.761 3.064 20 30 DGEDMM CO[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000901371848 619490411 /nfs/dbraw/zinc/49/04/11/619490411.db2.gz JFNOJIUJXVEUMZ-HNNXBMFYSA-N -1 1 307.296 3.070 20 30 DGEDMM CO[C@](C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1F ZINC000901373150 619491537 /nfs/dbraw/zinc/49/15/37/619491537.db2.gz SVTFIYWJZOKPNB-KRWDZBQOSA-N -1 1 321.323 3.244 20 30 DGEDMM CO[C@](C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374866 619491947 /nfs/dbraw/zinc/49/19/47/619491947.db2.gz UXBUGZUDUOBGBH-KRWDZBQOSA-N -1 1 303.333 3.105 20 30 DGEDMM C[C@@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000901378382 619492395 /nfs/dbraw/zinc/49/23/95/619492395.db2.gz KMBCPLBRWHBBTE-ZDUSSCGKSA-N -1 1 304.173 3.280 20 30 DGEDMM Cc1cc(C(=O)/C=C\c2ccc([O-])c(Br)c2)n(C)n1 ZINC000789157045 625376799 /nfs/dbraw/zinc/37/67/99/625376799.db2.gz VQNWFCITDWWNIQ-XQRVVYSFSA-N -1 1 321.174 3.093 20 30 DGEDMM COc1ncc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1Cl ZINC000789156987 625377259 /nfs/dbraw/zinc/37/72/59/625377259.db2.gz UKQWIGLWFITJFC-RQOWECAXSA-N -1 1 307.708 3.484 20 30 DGEDMM CC(=O)OC(C)(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181590 619889005 /nfs/dbraw/zinc/88/90/05/619889005.db2.gz WCMJBBKJHQCHGK-UHFFFAOYSA-N -1 1 320.172 3.053 20 30 DGEDMM C=CCOCCCC(=O)Nc1cccc([O-])c1Br ZINC000908713956 620221159 /nfs/dbraw/zinc/22/11/59/620221159.db2.gz WYNGXOFZFZDPIX-UHFFFAOYSA-N -1 1 314.179 3.076 20 30 DGEDMM O=C(CC(F)(F)C(F)(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000910992121 620321392 /nfs/dbraw/zinc/32/13/92/620321392.db2.gz XLSFXZZDLGOTHK-UHFFFAOYSA-N -1 1 305.149 3.197 20 30 DGEDMM [O-]c1c(Cl)cccc1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000754709885 620576791 /nfs/dbraw/zinc/57/67/91/620576791.db2.gz DVGVGSVKHKONPT-UHFFFAOYSA-N -1 1 316.670 3.300 20 30 DGEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(CC(=O)[O-])cc1 ZINC000915967754 620609054 /nfs/dbraw/zinc/60/90/54/620609054.db2.gz NWKHIPUEZCRURP-UHFFFAOYSA-N -1 1 322.368 3.037 20 30 DGEDMM [O-]c1ccc(CN=Nc2ncnc3sccc32)cc1Cl ZINC000921256692 620845182 /nfs/dbraw/zinc/84/51/82/620845182.db2.gz YWBQXRABHOKSOI-UHFFFAOYSA-N -1 1 304.762 3.496 20 30 DGEDMM C=CC[C@H]1CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000855438326 620903917 /nfs/dbraw/zinc/90/39/17/620903917.db2.gz FPLSRMSZMAMKIM-ZDUSSCGKSA-N -1 1 303.406 3.042 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000856176741 620969315 /nfs/dbraw/zinc/96/93/15/620969315.db2.gz XDCSYGJLXBCBDI-JTQLQIEISA-N -1 1 324.154 3.354 20 30 DGEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000859252666 621265358 /nfs/dbraw/zinc/26/53/58/621265358.db2.gz QIRKQBRAKFCDEB-UHFFFAOYSA-N -1 1 323.245 3.269 20 30 DGEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cscn1 ZINC000103330142 621348939 /nfs/dbraw/zinc/34/89/39/621348939.db2.gz 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/nfs/dbraw/zinc/67/18/55/621671855.db2.gz RYIXHBNYXDFDGJ-UHFFFAOYSA-N -1 1 308.337 3.211 20 30 DGEDMM O=C(/C=C/c1nccn1Cc1ccccc1)c1cc(O)ccc1[O-] ZINC000757468734 621714500 /nfs/dbraw/zinc/71/45/00/621714500.db2.gz WEIZCPVFKGTLSL-CMDGGOBGSA-N -1 1 320.348 3.239 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2c(F)cccc2F)c1 ZINC000757471742 621714945 /nfs/dbraw/zinc/71/49/45/621714945.db2.gz DELVKBMOBLKMAM-ALCCZGGFSA-N -1 1 304.248 3.265 20 30 DGEDMM Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC000757474707 621715328 /nfs/dbraw/zinc/71/53/28/621715328.db2.gz DDUUFAAZAHMLMK-WEVVVXLNSA-N -1 1 312.321 3.060 20 30 DGEDMM COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1C ZINC000757475178 621715955 /nfs/dbraw/zinc/71/59/55/621715955.db2.gz ZSEPNYWZFHWMLO-UTCJRWHESA-N -1 1 312.321 3.304 20 30 DGEDMM [O-]c1c(O)cc(C=NOCc2ccccc2)cc1Br ZINC000757586569 621726643 /nfs/dbraw/zinc/72/66/43/621726643.db2.gz NXVOYYQCROJBJD-UHFFFAOYSA-N -1 1 322.158 3.411 20 30 DGEDMM O=c1[nH]c(NN=Cc2ccc([O-])c(Cl)c2)nc2ccccc12 ZINC000757584653 621726685 /nfs/dbraw/zinc/72/66/85/621726685.db2.gz SMUQHXWUGWRWGE-UHFFFAOYSA-N -1 1 314.732 3.140 20 30 DGEDMM C=CCCC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000761409000 622006034 /nfs/dbraw/zinc/00/60/34/622006034.db2.gz ZUDGYFITZUNEIL-UHFFFAOYSA-N -1 1 303.141 3.391 20 30 DGEDMM C#CCOc1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000761780916 622029092 /nfs/dbraw/zinc/02/90/92/622029092.db2.gz DJXZETNFYAXHKO-UHFFFAOYSA-N -1 1 310.284 3.260 20 30 DGEDMM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000762635631 622088289 /nfs/dbraw/zinc/08/82/89/622088289.db2.gz KVDPAZHMOZVPJZ-SNVBAGLBSA-N -1 1 316.382 3.062 20 30 DGEDMM Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866329139 622094828 /nfs/dbraw/zinc/09/48/28/622094828.db2.gz ZIIWQKFWEVAGFT-CYBMUJFWSA-N -1 1 323.396 3.447 20 30 DGEDMM CCOc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1CO ZINC000866329914 622095159 /nfs/dbraw/zinc/09/51/59/622095159.db2.gz BBXDOLLKFQFCBP-GFCCVEGCSA-N -1 1 312.369 3.328 20 30 DGEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000767360963 622392967 /nfs/dbraw/zinc/39/29/67/622392967.db2.gz NYCXYUDTPGVQMB-UHFFFAOYSA-N -1 1 312.369 3.448 20 30 DGEDMM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc([O-])c(Cl)c1 ZINC000768776736 622476268 /nfs/dbraw/zinc/47/62/68/622476268.db2.gz RTVZZLCADPKXGS-MRVPVSSYSA-N -1 1 311.838 3.032 20 30 DGEDMM CC(=NNCc1ccc(C#N)cc1)c1cc(F)cc(F)c1[O-] ZINC000769815027 622563680 /nfs/dbraw/zinc/56/36/80/622563680.db2.gz MVWAVOICUSLAQN-UHFFFAOYSA-N -1 1 301.296 3.056 20 30 DGEDMM C=CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000769859643 622568797 /nfs/dbraw/zinc/56/87/97/622568797.db2.gz ROYUUWXWJLRDIZ-ZDUSSCGKSA-N -1 1 302.761 3.488 20 30 DGEDMM O=C(OCC#Cc1cccc(Cl)c1)c1ccc([O-])cc1F ZINC000773563377 623046430 /nfs/dbraw/zinc/04/64/30/623046430.db2.gz AXOCWONBVROIRM-UHFFFAOYSA-N -1 1 304.704 3.393 20 30 DGEDMM C#C[C@H]1CC[C@H](NC(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000874865959 623379130 /nfs/dbraw/zinc/37/91/30/623379130.db2.gz RIAPETCWADUMPP-AULYBMBSSA-N 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C=C(Cl)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000134853198 626888699 /nfs/dbraw/zinc/88/86/99/626888699.db2.gz WZPJGNWBOHMCDB-UHFFFAOYSA-N -1 1 300.594 3.024 20 30 DGEDMM N#Cc1ccc(C=C2SC(=S)[N-]C2=O)c(C(F)(F)F)c1 ZINC000811627851 627296668 /nfs/dbraw/zinc/29/66/68/627296668.db2.gz YNLIJVNKEHJKBR-RUDMXATFSA-N -1 1 314.313 3.066 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc2[nH]ccc2c1 ZINC000811646006 627298808 /nfs/dbraw/zinc/29/88/08/627298808.db2.gz HKUVLBXXHZTBHV-UHFFFAOYSA-N -1 1 309.325 3.321 20 30 DGEDMM Cc1cc(Br)c([O-])c(C=NOCCOC(C)C)c1 ZINC000812238903 627363285 /nfs/dbraw/zinc/36/32/85/627363285.db2.gz HGADMFPVUKSHCU-UHFFFAOYSA-N -1 1 316.195 3.239 20 30 DGEDMM CON(Cc1ccccc1Cl)C(=O)c1cc([O-])cc(C#N)c1 ZINC000812428773 627386546 /nfs/dbraw/zinc/38/65/46/627386546.db2.gz LXYAHBSLASKEGZ-UHFFFAOYSA-N -1 1 316.744 3.121 20 30 DGEDMM CCCCCCCC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889795589 627467574 /nfs/dbraw/zinc/46/75/74/627467574.db2.gz ZJSBQYHONFOTHV-ZDUSSCGKSA-N -1 1 321.421 3.215 20 30 DGEDMM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccccc1[N+](=O)[O-] ZINC000814685559 627583509 /nfs/dbraw/zinc/58/35/09/627583509.db2.gz JISFVPKYUWQRRR-UHFFFAOYSA-N -1 1 313.313 3.356 20 30 DGEDMM [O-]c1cccc(CN=Nc2ncnc3ccsc32)c1Cl ZINC000814879427 627601745 /nfs/dbraw/zinc/60/17/45/627601745.db2.gz UPOGWORGXPMOCO-UHFFFAOYSA-N -1 1 304.762 3.496 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccccc1C#N ZINC000814887577 627603375 /nfs/dbraw/zinc/60/33/75/627603375.db2.gz OXVCAADEGQCKIC-UHFFFAOYSA-N -1 1 309.325 3.101 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@H](C)C2CCCCC2)o1 ZINC000819783546 628190614 /nfs/dbraw/zinc/19/06/14/628190614.db2.gz YYYMUUDPILUIMK-VIFPVBQESA-N -1 1 317.397 3.167 20 30 DGEDMM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196800 628429209 /nfs/dbraw/zinc/42/92/09/628429209.db2.gz XHXPUYXZSXEOOA-HYXAFXHYSA-N -1 1 310.382 3.441 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1Cl ZINC000822929182 628510236 /nfs/dbraw/zinc/51/02/36/628510236.db2.gz 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/nfs/dbraw/zinc/84/02/66/628840266.db2.gz TWZCTZUSAQMPQY-SNAWJCMRSA-N -1 1 314.345 3.272 20 30 DGEDMM COc1ccc(C)cc1[C@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832252220 629455963 /nfs/dbraw/zinc/45/59/63/629455963.db2.gz IWSKJQRIFRGZIU-UGSOOPFHSA-N -1 1 324.380 3.352 20 30 DGEDMM COc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832595563 629499136 /nfs/dbraw/zinc/49/91/36/629499136.db2.gz MHNLGRFDRYFBBW-YVEFUNNKSA-N -1 1 310.353 3.043 20 30 DGEDMM O=C([O-])N[C@H]1CC(=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000834158814 629675029 /nfs/dbraw/zinc/67/50/29/629675029.db2.gz WITQYKXMAWKHFC-AWEZNQCLSA-N -1 1 321.340 3.092 20 30 DGEDMM CC(C)n1cc(C(C)N=Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000835010174 629821927 /nfs/dbraw/zinc/82/19/27/629821927.db2.gz RQJVBHOOMOOPIW-UHFFFAOYSA-N -1 1 304.325 3.137 20 30 DGEDMM [O-]c1c(Br)cccc1C=NNCCC(F)(F)F ZINC000794552059 661090631 /nfs/dbraw/zinc/09/06/31/661090631.db2.gz HEZGSAPNZLFGHH-UHFFFAOYSA-N -1 1 311.101 3.031 20 30 DGEDMM COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc([O-])c(F)c1)C2 ZINC000794962242 661117011 /nfs/dbraw/zinc/11/70/11/661117011.db2.gz YCKKOEBSBOZFDX-XGICHPGQSA-N -1 1 314.312 3.371 20 30 DGEDMM CC(C)Oc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1C#N ZINC000255603723 655863276 /nfs/dbraw/zinc/86/32/76/655863276.db2.gz WAZUBEGPGGYLQX-UHFFFAOYSA-N -1 1 312.325 3.213 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnc3ccc(C)cn23)c1 ZINC000255671658 655888574 /nfs/dbraw/zinc/88/85/74/655888574.db2.gz HMKVKFSNCXHBSA-XQRVVYSFSA-N -1 1 308.337 3.253 20 30 DGEDMM N#CCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC000093091349 656266039 /nfs/dbraw/zinc/26/60/39/656266039.db2.gz URHPTXAKCXOHEJ-UHFFFAOYSA-N -1 1 309.753 3.079 20 30 DGEDMM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cs1 ZINC000171146142 659263826 /nfs/dbraw/zinc/26/38/26/659263826.db2.gz LEBCWQRGJISDHZ-GFCCVEGCSA-N -1 1 313.382 3.228 20 30 DGEDMM CCN(CC)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1 ZINC000179736907 659940321 /nfs/dbraw/zinc/94/03/21/659940321.db2.gz PZIJNXGWVQFKCO-SFHVURJKSA-N -1 1 323.396 3.285 20 30 DGEDMM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000931329249 661467821 /nfs/dbraw/zinc/46/78/21/661467821.db2.gz OKACQQSKDVAWBP-SNVBAGLBSA-N -1 1 316.735 3.249 20 30 DGEDMM C=CCCCCNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932048546 661532923 /nfs/dbraw/zinc/53/29/23/661532923.db2.gz LYXMNWIKEBGNRG-UHFFFAOYSA-N -1 1 300.362 3.056 20 30 DGEDMM C=CCN(CC(=O)[O-])Cc1cc(Cl)ccc1OC(F)F ZINC000092467370 662331845 /nfs/dbraw/zinc/33/18/45/662331845.db2.gz GCVVXKSQODTYEB-UHFFFAOYSA-N -1 1 305.708 3.014 20 30 DGEDMM Cc1cc(F)c(-c2nn[n-]n2)c(Sc2cccc(C#N)c2)c1 ZINC001580932860 1192046921 /nfs/dbraw/zinc/04/69/21/1192046921.db2.gz KFDMQIAJTQBORE-UHFFFAOYSA-N -1 1 311.345 3.337 20 30 DGEDMM C#CCOc1ccc(NC(=O)c2cc(SC)ccc2[O-])cc1 ZINC001585978587 1192297496 /nfs/dbraw/zinc/29/74/96/1192297496.db2.gz ITSLTXZYBAPZLO-UHFFFAOYSA-N -1 1 313.378 3.378 20 30 DGEDMM Cc1cccc(C#N)c1SCc1ccc(-c2nn[n-]n2)s1 ZINC001592218955 1192602786 /nfs/dbraw/zinc/60/27/86/1192602786.db2.gz SXZNUSQZKDHXFT-UHFFFAOYSA-N -1 1 313.411 3.401 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC2CCC(C(C)C)CC2)o1 ZINC001592338406 1192607392 /nfs/dbraw/zinc/60/73/92/1192607392.db2.gz AFJDNAIPWARSML-UHFFFAOYSA-N -1 1 317.397 3.023 20 30 DGEDMM Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)oc1C(=O)[O-] ZINC001600209396 1192808638 /nfs/dbraw/zinc/80/86/38/1192808638.db2.gz LBSXWGKYVHDCBO-UHFFFAOYSA-N -1 1 310.353 3.131 20 30 DGEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC001601101395 1192919024 /nfs/dbraw/zinc/91/90/24/1192919024.db2.gz OCEIAUCNWDXHRI-CYBMUJFWSA-N -1 1 324.764 3.328 20 30 DGEDMM O=C([O-])Cn1cccc1C=NNc1c(Cl)cccc1Cl ZINC001602166287 1192961448 /nfs/dbraw/zinc/96/14/48/1192961448.db2.gz KAJLOYHLNLIEMG-UHFFFAOYSA-N -1 1 312.156 3.326 20 30 DGEDMM C=CC(C)(C)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001602786850 1192997683 /nfs/dbraw/zinc/99/76/83/1192997683.db2.gz MXRFHCBSHQCKJJ-UHFFFAOYSA-N -1 1 312.830 3.381 20 30 DGEDMM C=CC[C@@H](C(=O)[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001602836155 1192999829 /nfs/dbraw/zinc/99/98/29/1192999829.db2.gz HHXIIWZTORDMAH-LBPRGKRZSA-N -1 1 300.185 3.381 20 30 DGEDMM C=CCCC[N@H+](CC)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001602874877 1193001413 /nfs/dbraw/zinc/00/14/13/1193001413.db2.gz HFRCOWXRPKROLF-ZDUSSCGKSA-N -1 1 306.406 3.189 20 30 DGEDMM C=CCCCN(CC)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001602874877 1193001415 /nfs/dbraw/zinc/00/14/15/1193001415.db2.gz HFRCOWXRPKROLF-ZDUSSCGKSA-N -1 1 306.406 3.189 20 30 DGEDMM N#Cc1cccc([O-])c1NC(=S)Nc1cc(F)cc(F)c1 ZINC001200668495 1180797394 /nfs/dbraw/zinc/79/73/94/1180797394.db2.gz AFFXFNRANXGVII-UHFFFAOYSA-N -1 1 305.309 3.351 20 30 DGEDMM CCCCCCCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001446245883 1182165283 /nfs/dbraw/zinc/16/52/83/1182165283.db2.gz VQKUXRXSSDHBRV-UHFFFAOYSA-N -1 1 306.435 3.108 20 30 DGEDMM C#C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccccc1 ZINC001452230151 1182285095 /nfs/dbraw/zinc/28/50/95/1182285095.db2.gz ONMRVHUQMLAIBE-GOSISDBHSA-N -1 1 317.344 3.355 20 30 DGEDMM C=C[C@@H](C(=O)NCCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001456201018 1182405226 /nfs/dbraw/zinc/40/52/26/1182405226.db2.gz ZKWVVCMVQDFVTP-CQSZACIVSA-N -1 1 317.335 3.299 20 30 DGEDMM C=CCC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCCC1 ZINC001460812014 1182726425 /nfs/dbraw/zinc/72/64/25/1182726425.db2.gz BHZSOQHRSAPPTL-UHFFFAOYSA-N -1 1 301.390 3.136 20 30 DGEDMM Fc1ccc(C=NOC2CCCCC2)c(Cl)c1-c1nnn[n-]1 ZINC001606317907 1193198021 /nfs/dbraw/zinc/19/80/21/1193198021.db2.gz BBAZCMZEMQMJBA-UHFFFAOYSA-N -1 1 323.759 3.342 20 30 DGEDMM Fc1ccc(C=NOC2CCCCC2)c(Cl)c1-c1nn[n-]n1 ZINC001606317907 1193198022 /nfs/dbraw/zinc/19/80/22/1193198022.db2.gz BBAZCMZEMQMJBA-UHFFFAOYSA-N -1 1 323.759 3.342 20 30 DGEDMM N#CCc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001606860137 1193206263 /nfs/dbraw/zinc/20/62/63/1193206263.db2.gz GCSAOPFYBXZSNN-UHFFFAOYSA-N -1 1 300.745 3.042 20 30 DGEDMM CN(CCc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC001470842688 1183518427 /nfs/dbraw/zinc/51/84/27/1183518427.db2.gz YYEAQBXKVMUBCD-UHFFFAOYSA-N -1 1 314.772 3.232 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)cc1[O-] ZINC001471502425 1183570222 /nfs/dbraw/zinc/57/02/22/1183570222.db2.gz FUJGJAMJVJKOFD-NVXWUHKLSA-N -1 1 310.328 3.019 20 30 DGEDMM Cc1c(C#N)cccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001471700228 1183582498 /nfs/dbraw/zinc/58/24/98/1183582498.db2.gz MMSLURLTJRDSRP-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM N#CCc1ccccc1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001472193218 1183624494 /nfs/dbraw/zinc/62/44/94/1183624494.db2.gz QQEPLMQLXMCJPC-UHFFFAOYSA-N -1 1 318.735 3.432 20 30 DGEDMM O=C([O-])[C@@H]1CC[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC001608804899 1193305021 /nfs/dbraw/zinc/30/50/21/1193305021.db2.gz RLFGRJMDDXCMJL-LVQUNVSQSA-N -1 1 302.157 3.371 20 30 DGEDMM C=C(C)[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(F)c(F)c1 ZINC001609226531 1193332141 /nfs/dbraw/zinc/33/21/41/1193332141.db2.gz RKGXMKKEYLZWSN-OAHLLOKOSA-N -1 1 306.312 3.398 20 30 DGEDMM CCc1oc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001610081696 1193375958 /nfs/dbraw/zinc/37/59/58/1193375958.db2.gz RPHAHUYMNVTSOX-MRXNPFEDSA-N -1 1 310.353 3.189 20 30 DGEDMM CCc1oc(CN[C@H]2CCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001610081695 1193376110 /nfs/dbraw/zinc/37/61/10/1193376110.db2.gz RPHAHUYMNVTSOX-INIZCTEOSA-N -1 1 310.353 3.189 20 30 DGEDMM CN(CCc1ccccc1F)Cc1cccc(C(=O)[O-])c1C#N ZINC001610119900 1193377036 /nfs/dbraw/zinc/37/70/36/1193377036.db2.gz RDCLWCQPYXUKFM-UHFFFAOYSA-N -1 1 312.344 3.070 20 30 DGEDMM Cc1ccc2[nH]c(C([O-])=C(C#N)c3ccncn3)c(Cl)c2c1 ZINC001516768148 1186792838 /nfs/dbraw/zinc/79/28/38/1186792838.db2.gz QYJMYEIJCQRFLZ-LLVKDONJSA-N -1 1 310.744 3.410 20 30 DGEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(C)(C)C ZINC001528110150 1187469962 /nfs/dbraw/zinc/46/99/62/1187469962.db2.gz XJWBDAXGVHUDLY-GFCCVEGCSA-N -1 1 301.283 3.221 20 30 DGEDMM N#Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1F ZINC001543591873 1188348107 /nfs/dbraw/zinc/34/81/07/1188348107.db2.gz RVDIUYCDLLMNJO-UHFFFAOYSA-N -1 1 322.299 3.045 20 30 DGEDMM N#Cc1cc([N-]C(=O)c2scnc2C(F)F)c(F)cc1F ZINC001544829520 1188411984 /nfs/dbraw/zinc/41/19/84/1188411984.db2.gz VDTDIQLKXINRNF-UHFFFAOYSA-N -1 1 315.251 3.483 20 30 DGEDMM CC1(C)[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC001556953838 1189031918 /nfs/dbraw/zinc/03/19/18/1189031918.db2.gz RWWYAONXHAJYPN-WMZOPIPTSA-N -1 1 320.392 3.433 20 30 DGEDMM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc([O-])cc1F ZINC001557064342 1189038554 /nfs/dbraw/zinc/03/85/54/1189038554.db2.gz SIKJZANBSPFZCQ-KRWDZBQOSA-N -1 1 310.328 3.210 20 30 DGEDMM C=CCn1cc2ccc(NC(=O)c3cccc([O-])c3F)cc2n1 ZINC001558513534 1189129816 /nfs/dbraw/zinc/12/98/16/1189129816.db2.gz GSUXTYUSPRYLSJ-UHFFFAOYSA-N -1 1 311.316 3.319 20 30 DGEDMM C=C(CC)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001561651605 1189454113 /nfs/dbraw/zinc/45/41/13/1189454113.db2.gz RJAXXZOFLOUUKW-UHFFFAOYSA-N -1 1 312.193 3.377 20 30 DGEDMM N#Cc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001562143457 1189474711 /nfs/dbraw/zinc/47/47/11/1189474711.db2.gz CLPPISHYEXOYKR-UHFFFAOYSA-N -1 1 301.733 3.239 20 30 DGEDMM C#Cc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001564924180 1189607264 /nfs/dbraw/zinc/60/72/64/1189607264.db2.gz FXCGVKNQNOQISE-UHFFFAOYSA-N -1 1 314.772 3.026 20 30 DGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001565689211 1189664324 /nfs/dbraw/zinc/66/43/24/1189664324.db2.gz VJHZTQJQKPGBHQ-NSHDSACASA-N -1 1 313.382 3.291 20 30 DGEDMM C=C(CNC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001570075752 1190791429 /nfs/dbraw/zinc/79/14/29/1190791429.db2.gz ULYZSMRWUCCVLM-UHFFFAOYSA-N -1 1 304.349 3.384 20 30 DGEDMM N#C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC001629249701 1194222889 /nfs/dbraw/zinc/22/28/89/1194222889.db2.gz UZNCRLGNGQBYHI-ZDUSSCGKSA-N -1 1 304.708 3.179 20 30 DGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC001629719813 1194249372 /nfs/dbraw/zinc/24/93/72/1194249372.db2.gz OOIOXZRKLUJUER-WMZOPIPTSA-N -1 1 324.355 3.443 20 30 DGEDMM N#CC1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCCCC1 ZINC001632146001 1194373782 /nfs/dbraw/zinc/37/37/82/1194373782.db2.gz YRVUAJKCSDGKDG-UHFFFAOYSA-N -1 1 313.332 3.036 20 30 DGEDMM N#Cc1c[nH]c2cc(C(=O)Nc3ccc([O-])c(F)c3F)ccc12 ZINC001635379154 1194548439 /nfs/dbraw/zinc/54/84/39/1194548439.db2.gz FQZCMFHSBBFUFM-UHFFFAOYSA-N -1 1 313.263 3.276 20 30 DGEDMM C=CCOc1ccc(CC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001642154724 1194890487 /nfs/dbraw/zinc/89/04/87/1194890487.db2.gz ONQMYILHPVXVOK-UHFFFAOYSA-N -1 1 319.307 3.416 20 30 DGEDMM Cc1cc(C#N)cc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001642592458 1194922199 /nfs/dbraw/zinc/92/21/99/1194922199.db2.gz MYEIEEAXHLMWQH-UHFFFAOYSA-N -1 1 300.745 3.407 20 30 DGEDMM CSc1ccc(CNC(=O)c2ccc([O-])cc2F)cc1C#N ZINC001645402657 1195181553 /nfs/dbraw/zinc/18/15/53/1195181553.db2.gz QBDPGQQDZIRSEP-UHFFFAOYSA-N -1 1 316.357 3.055 20 30 DGEDMM C#CCOc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001653076000 1195685474 /nfs/dbraw/zinc/68/54/74/1195685474.db2.gz BBAFHQGCBWDKSS-UHFFFAOYSA-N -1 1 319.719 3.449 20 30 DGEDMM C=CCCCCCCC[N-]S(=O)(=O)c1cc(C)ns1 ZINC001663699725 1196930434 /nfs/dbraw/zinc/93/04/34/1196930434.db2.gz ZFZNDQUPPBTDNL-UHFFFAOYSA-N -1 1 302.465 3.256 20 30 DGEDMM C#C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001683507713 1199277565 /nfs/dbraw/zinc/27/75/65/1199277565.db2.gz HGLIHDGAMJHTLZ-OAHLLOKOSA-N -1 1 314.772 3.219 20 30 DGEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000313471203 1199767106 /nfs/dbraw/zinc/76/71/06/1199767106.db2.gz USKFLIKKUGASKO-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM N#Cc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000315022664 1199798376 /nfs/dbraw/zinc/79/83/76/1199798376.db2.gz LUIICIBAZYQTPO-UHFFFAOYSA-N -1 1 317.186 3.316 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1Cl ZINC000242464072 1203568145 /nfs/dbraw/zinc/56/81/45/1203568145.db2.gz BRPMOLMZHFQPJD-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM N#CCc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000399035976 973188836 /nfs/dbraw/zinc/18/88/36/973188836.db2.gz OEQQWEOSRVTRKC-UHFFFAOYSA-N -1 1 306.365 3.009 20 30 DGEDMM N#Cc1cncc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001605626973 973962717 /nfs/dbraw/zinc/96/27/17/973962717.db2.gz XNGRVYQRXGUAQF-UHFFFAOYSA-N -1 1 321.380 3.031 20 30 DGEDMM C#CCOc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588504258 983546956 /nfs/dbraw/zinc/54/69/56/983546956.db2.gz OVWDVAARFNBQAF-UHFFFAOYSA-N -1 1 309.365 3.029 20 30 DGEDMM C=CCCCCCN(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001588799689 984241244 /nfs/dbraw/zinc/24/12/44/984241244.db2.gz APKIMWMLBOCQFM-UHFFFAOYSA-N -1 1 304.390 3.002 20 30 DGEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1F ZINC001593189064 994108324 /nfs/dbraw/zinc/10/83/24/994108324.db2.gz DAIKXRUGACCYBA-MGPLVRAMSA-N -1 1 316.307 3.313 20 30 DGEDMM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1cccc(C#N)c1 ZINC001599501347 997127730 /nfs/dbraw/zinc/12/77/30/997127730.db2.gz SVRRKKHJVWQKHF-GFCCVEGCSA-N -1 1 310.353 3.116 20 30 DGEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000088485996 1081601467 /nfs/dbraw/zinc/60/14/67/1081601467.db2.gz HZSSVYBOQIODKJ-ZCFIWIBFSA-N -1 1 312.700 3.013 20 30 DGEDMM N#CCSc1ccccc1C(=O)Nc1cccc(F)c1[O-] ZINC001648846594 1081941473 /nfs/dbraw/zinc/94/14/73/1081941473.db2.gz DARZCPLNHQZWMP-UHFFFAOYSA-N -1 1 302.330 3.399 20 30 DGEDMM N#Cc1cccc(C2(NCc3nc(=O)c4sccc4[n-]3)CC2)c1 ZINC001170195509 1082316123 /nfs/dbraw/zinc/31/61/23/1082316123.db2.gz TXYZZSHFXZDMOB-UHFFFAOYSA-N -1 1 322.393 3.047 20 30 DGEDMM O=C(/C=C\c1cncc(Br)c1)c1cc(O)ccc1[O-] ZINC000588476320 1082421313 /nfs/dbraw/zinc/42/13/13/1082421313.db2.gz JYVKWQVBAXXAOA-IWQZZHSRSA-N -1 1 320.142 3.151 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(-n2cccn2)cc1 ZINC000588534949 1082573097 /nfs/dbraw/zinc/57/30/97/1082573097.db2.gz BUDJZFZHNDPDIQ-GDNBJRDFSA-N -1 1 302.333 3.400 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1nccn1-c1ccccc1 ZINC000588580724 1082746193 /nfs/dbraw/zinc/74/61/93/1082746193.db2.gz GMNYMFUFMZTSPR-WJDWOHSUSA-N 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C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001293875158 1091319127 /nfs/dbraw/zinc/31/91/27/1091319127.db2.gz NMRABZIUOAYGEX-HXPMCKFVSA-N -1 1 324.380 3.453 20 30 DGEDMM COC(=O)c1sc([N-]c2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC001206145171 1091508596 /nfs/dbraw/zinc/50/85/96/1091508596.db2.gz YVKFLXOVUAZOFK-UHFFFAOYSA-N -1 1 317.326 3.367 20 30 DGEDMM C#Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001141043257 1092118651 /nfs/dbraw/zinc/11/86/51/1092118651.db2.gz SJUASPYGSZZBSJ-UHFFFAOYSA-N -1 1 319.282 3.322 20 30 DGEDMM C#Cc1ccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])cc1 ZINC001141045795 1092118665 /nfs/dbraw/zinc/11/86/65/1092118665.db2.gz ZNIFLZCPLRHNHU-UHFFFAOYSA-N -1 1 317.344 3.162 20 30 DGEDMM CC(=O)c1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1[O-] ZINC001141649361 1092308187 /nfs/dbraw/zinc/30/81/87/1092308187.db2.gz MCXVHCMPQJYFQX-UHFFFAOYSA-N -1 1 314.728 3.372 20 30 DGEDMM CC(C)C[C@](C)(C#N)NC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149660026 1092718223 /nfs/dbraw/zinc/71/82/23/1092718223.db2.gz VDQXMMXVBZFBPM-GOSISDBHSA-N -1 1 312.369 3.309 20 30 DGEDMM N#C[C@H]1CC[C@H](NC(=O)c2cc3cccc(O)c3cc2[O-])CC1 ZINC001149654340 1092718401 /nfs/dbraw/zinc/71/84/01/1092718401.db2.gz ZBSLTYGDLUIWTP-AULYBMBSSA-N -1 1 310.353 3.063 20 30 DGEDMM Cc1cc(Nc2c(C#N)cnn2C2CCOCC2)cc([O-])c1F ZINC001216079650 1094118357 /nfs/dbraw/zinc/11/83/57/1094118357.db2.gz QMFIJQCJTUGKNA-UHFFFAOYSA-N -1 1 316.336 3.003 20 30 DGEDMM N#Cc1cc(F)cc(-c2noc(-c3c(F)ccc([O-])c3F)n2)c1 ZINC001216922372 1094278733 /nfs/dbraw/zinc/27/87/33/1094278733.db2.gz LTAMNFKONCIMER-UHFFFAOYSA-N -1 1 317.226 3.398 20 30 DGEDMM N#Cc1ccc(-c2noc(-c3nc4ccc(Cl)cc4[nH]3)n2)nc1 ZINC001217257453 1094351525 /nfs/dbraw/zinc/35/15/25/1094351525.db2.gz TVCBSXNYKRSSTA-UHFFFAOYSA-N -1 1 322.715 3.200 20 30 DGEDMM O=S1(=O)[N-]/C(=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c2ccccc21 ZINC001337066206 1094839869 /nfs/dbraw/zinc/83/98/69/1094839869.db2.gz WUXILBHHOHMLBB-MELADBBJSA-N -1 1 318.442 3.084 20 30 DGEDMM Cc1ccn(-c2cccc(C([O-])=C(C#N)c3nc(C)cs3)c2)n1 ZINC001122492451 1094988783 /nfs/dbraw/zinc/98/87/83/1094988783.db2.gz SPDJYTJLZZDBHK-OAHLLOKOSA-N -1 1 322.393 3.436 20 30 DGEDMM C=CC[C@H](C)C(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001144021624 1095478113 /nfs/dbraw/zinc/47/81/13/1095478113.db2.gz SZPXAXDQPBANLB-QMMMGPOBSA-N -1 1 314.179 3.314 20 30 DGEDMM CCOC(=O)[C@H]1CCC[C@@H]1O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223595971 1096011087 /nfs/dbraw/zinc/01/10/87/1096011087.db2.gz IGEUOGLFVBHHFJ-ZFZJTJTISA-N -1 1 311.765 3.224 20 30 DGEDMM C[C@H]1OCC[C@H]1CO/C(=N\[O-])c1ccccc1Br ZINC001223885447 1096085545 /nfs/dbraw/zinc/08/55/45/1096085545.db2.gz JZHLOMHUBPFCME-OSGWWAHMSA-N -1 1 314.179 3.027 20 30 DGEDMM Cc1ccc2nc(C(=O)Nc3ccc([O-])c(C#N)c3)sc2c1 ZINC001147560587 1096239741 /nfs/dbraw/zinc/23/97/41/1096239741.db2.gz QLRRDDDFJCLQIO-UHFFFAOYSA-N -1 1 309.350 3.434 20 30 DGEDMM C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=S)ncc2OC)C(C)(C)O1 ZINC001226247180 1096645015 /nfs/dbraw/zinc/64/50/15/1096645015.db2.gz UIOIJDRLNZNZDR-IAQYHMDHSA-N -1 1 310.419 3.055 20 30 DGEDMM CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc(C)c1Cl ZINC001227113076 1096871836 /nfs/dbraw/zinc/87/18/36/1096871836.db2.gz SNCOTSGQARHXMK-ZDUSSCGKSA-N -1 1 302.761 3.353 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)C(=O)OCCC ZINC001227121040 1096873323 /nfs/dbraw/zinc/87/33/23/1096873323.db2.gz ZCDQNGHFIJXIMG-GFCCVEGCSA-N -1 1 306.358 3.044 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C(=O)OCC)C1CC1 ZINC001227121727 1096873899 /nfs/dbraw/zinc/87/38/99/1096873899.db2.gz GIOVLTVWIHBOPW-MRXNPFEDSA-N -1 1 318.369 3.044 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCC[C@H]1C(=O)OC ZINC001227120795 1096874116 /nfs/dbraw/zinc/87/41/16/1096874116.db2.gz UKYKEKIBQPPWDP-ZBFHGGJFSA-N -1 1 318.369 3.044 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1COc2cnccc21 ZINC001227123517 1096874721 /nfs/dbraw/zinc/87/47/21/1096874721.db2.gz XWELIBROHYKEOS-QGZVFWFLSA-N -1 1 311.337 3.231 20 30 DGEDMM N#Cc1c([O-])ccc(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1C#N ZINC001227621664 1096963286 /nfs/dbraw/zinc/96/32/86/1096963286.db2.gz FLMWDQDBQWBKGW-GASCZTMLSA-N -1 1 320.348 3.262 20 30 DGEDMM N#C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1cccc(F)c1 ZINC001227885733 1097007578 /nfs/dbraw/zinc/00/75/78/1097007578.db2.gz OITIYMWJBZPTFJ-CYBMUJFWSA-N -1 1 312.329 3.470 20 30 DGEDMM CC(C)Oc1cc(COc2cc([O-])ccc2C#N)c(F)cn1 ZINC001228010804 1097032357 /nfs/dbraw/zinc/03/23/57/1097032357.db2.gz QNWTVUIEJOXRBN-UHFFFAOYSA-N -1 1 302.305 3.164 20 30 DGEDMM C=C[C@@H](CC)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197361 1097275505 /nfs/dbraw/zinc/27/55/05/1097275505.db2.gz OCGIRSQQMMEZFV-JTQLQIEISA-N -1 1 324.332 3.217 20 30 DGEDMM C#C[C@H](Oc1c([O-])c(OC)cc2ccc(=O)oc21)c1ccccc1 ZINC001229217863 1097277850 /nfs/dbraw/zinc/27/78/50/1097277850.db2.gz GTSCRRSMSWQBCC-AWEZNQCLSA-N -1 1 322.316 3.261 20 30 DGEDMM C[C@H](CS)Oc1cc([O-])ccc1C(=O)Cc1ccc(O)cc1 ZINC001229426814 1097319004 /nfs/dbraw/zinc/31/90/04/1097319004.db2.gz FSLSIAWBOIATKB-LLVKDONJSA-N -1 1 318.394 3.220 20 30 DGEDMM COC(=O)[C@@H](Oc1ccccc1/C(C)=N/[O-])c1ccc(F)cc1 ZINC001229737211 1097374362 /nfs/dbraw/zinc/37/43/62/1097374362.db2.gz RTIAWATXQUHZAO-ZVCOJXFSSA-N -1 1 317.316 3.317 20 30 DGEDMM COC(=O)[C@H](Oc1ccccc1/C(C)=N/[O-])c1ccccc1F ZINC001229736789 1097374829 /nfs/dbraw/zinc/37/48/29/1097374829.db2.gz KKNHHSZEKYYHIS-YDDPGSGASA-N -1 1 317.316 3.317 20 30 DGEDMM C#CC[C@H](C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229801635 1097390493 /nfs/dbraw/zinc/39/04/93/1097390493.db2.gz GNTYTQWKIDUMQM-JTQLQIEISA-N -1 1 310.305 3.148 20 30 DGEDMM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)cc([O-])c2[N+](=O)[O-])O1 ZINC001231261190 1097705884 /nfs/dbraw/zinc/70/58/84/1097705884.db2.gz ZHEABGUHXHCLIC-BLLLJJGKSA-N -1 1 322.361 3.285 20 30 DGEDMM COC(=O)c1cc(C#N)cc(C)c1Nc1c(F)cc([O-])cc1F ZINC001175103783 1097933685 /nfs/dbraw/zinc/93/36/85/1097933685.db2.gz YVSBWFIXSCCKBS-UHFFFAOYSA-N -1 1 318.279 3.381 20 30 DGEDMM N#Cc1ccc2c(c1)CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233075726 1098219023 /nfs/dbraw/zinc/21/90/23/1098219023.db2.gz AZHFGSVPXOYTMJ-UHFFFAOYSA-N -1 1 300.308 3.100 20 30 DGEDMM C#C[C@H]1CC[C@H](NC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001176981255 1098459316 /nfs/dbraw/zinc/45/93/16/1098459316.db2.gz NQPOKSXYXLTVOQ-HAQNSBGRSA-N -1 1 312.344 3.001 20 30 DGEDMM C#C[C@H](Oc1nc2cccc(C(=O)OC)c2[n-]1)c1ccccc1 ZINC001234039604 1098483326 /nfs/dbraw/zinc/48/33/26/1098483326.db2.gz QDBNMTSXOHFLGT-HNNXBMFYSA-N -1 1 306.321 3.103 20 30 DGEDMM C#C[C@H](Oc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC001234039604 1098483329 /nfs/dbraw/zinc/48/33/29/1098483329.db2.gz QDBNMTSXOHFLGT-HNNXBMFYSA-N -1 1 306.321 3.103 20 30 DGEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(OC2CC2)c1 ZINC001234716662 1098653871 /nfs/dbraw/zinc/65/38/71/1098653871.db2.gz PAXFUHOBTSOWPN-KPKJPENVSA-N -1 1 324.332 3.298 20 30 DGEDMM COc1cccc(OC[C@@H](C)Oc2ccccc2C=N[O-])c1 ZINC001234818635 1098669037 /nfs/dbraw/zinc/66/90/37/1098669037.db2.gz CJXUWTLEEWWLLF-CYBMUJFWSA-N -1 1 301.342 3.350 20 30 DGEDMM Cc1ccc(N2CCC(Oc3ccccc3C=N[O-])CC2)nc1 ZINC001234818692 1098670850 /nfs/dbraw/zinc/67/08/50/1098670850.db2.gz CVBBKUNSAWVQGR-UHFFFAOYSA-N -1 1 311.385 3.246 20 30 DGEDMM C#Cc1ccc(NC(=O)c2ccc(OC)cc2[O-])c(Cl)c1 ZINC001179656635 1099155540 /nfs/dbraw/zinc/15/55/40/1099155540.db2.gz WHPLORSAGQTRSA-UHFFFAOYSA-N -1 1 301.729 3.288 20 30 DGEDMM Cc1ccccc1-c1cc(C(=O)Nc2ccc(C#N)cc2[O-])n[nH]1 ZINC001187974695 1099645917 /nfs/dbraw/zinc/64/59/17/1099645917.db2.gz MKRRWEGWNDJYQJ-UHFFFAOYSA-N -1 1 318.336 3.215 20 30 DGEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(C(C)=O)n1 ZINC001188001020 1099654580 /nfs/dbraw/zinc/65/45/80/1099654580.db2.gz CPLJHEDEKFUVRM-UHFFFAOYSA-N -1 1 312.435 3.386 20 30 DGEDMM N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190500022 1100280866 /nfs/dbraw/zinc/28/08/66/1100280866.db2.gz HWVFXXNWTLCCCP-UHFFFAOYSA-N -1 1 316.357 3.376 20 30 DGEDMM Cc1coc([N-]C(=O)c2csc(C(F)(F)F)n2)c1C#N ZINC001191009459 1100382025 /nfs/dbraw/zinc/38/20/25/1100382025.db2.gz PWQSRKVSPSCJBP-UHFFFAOYSA-N 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400850984 /nfs/dbraw/zinc/85/09/84/400850984.db2.gz ZKXHYDGCSXNGSM-CQSZACIVSA-N -1 1 310.328 3.033 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C ZINC000619463643 400851634 /nfs/dbraw/zinc/85/16/34/400851634.db2.gz HLPWURIDVVZRNR-UHFFFAOYSA-N -1 1 314.410 3.424 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000619462002 400851824 /nfs/dbraw/zinc/85/18/24/400851824.db2.gz OZAKTMDGMXYYSY-UHFFFAOYSA-N -1 1 324.764 3.346 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000619461666 400852087 /nfs/dbraw/zinc/85/20/87/400852087.db2.gz MDRUIIIEIIQVEZ-UHFFFAOYSA-N -1 1 311.366 3.035 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H](C(F)F)C2CCCCC2)cc1[O-] ZINC000598912943 400908630 /nfs/dbraw/zinc/90/86/30/400908630.db2.gz MWKNLSJWVSBOBJ-AWEZNQCLSA-N -1 1 308.328 3.208 20 30 DGEDMM C=CCCC(C)(C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000620863050 401000259 /nfs/dbraw/zinc/00/02/59/401000259.db2.gz DEVGGHCULAIATF-UHFFFAOYSA-N -1 1 323.462 3.006 20 30 DGEDMM Cc1ccc2c(CCNC(=O)c3cc([O-])cc(C#N)c3)c[nH]c2c1 ZINC000615292937 401050380 /nfs/dbraw/zinc/05/03/80/401050380.db2.gz SBZFGQYKGFDLJL-UHFFFAOYSA-N -1 1 319.364 3.026 20 30 DGEDMM N#Cc1ccsc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182159650 432163027 /nfs/dbraw/zinc/16/30/27/432163027.db2.gz QLOGEEXKRBJZST-UHFFFAOYSA-N -1 1 318.408 3.452 20 30 DGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190839583 432193395 /nfs/dbraw/zinc/19/33/95/432193395.db2.gz BSCJCYZAEZXJER-UHFFFAOYSA-N -1 1 322.364 3.101 20 30 DGEDMM N#CCc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000339138666 229075328 /nfs/dbraw/zinc/07/53/28/229075328.db2.gz XPABUHYGUQHBNJ-UHFFFAOYSA-N -1 1 318.336 3.101 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000354454733 229296171 /nfs/dbraw/zinc/29/61/71/229296171.db2.gz AEALVCLDXDOZRU-NSHDSACASA-N -1 1 316.158 3.038 20 30 DGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000355838523 229318392 /nfs/dbraw/zinc/31/83/92/229318392.db2.gz CVGJQELUBOXMPY-UHFFFAOYSA-N -1 1 312.394 3.042 20 30 DGEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F ZINC000355840370 229319449 /nfs/dbraw/zinc/31/94/49/229319449.db2.gz HLGFNWOTHIPMSC-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1F ZINC000179026375 267360356 /nfs/dbraw/zinc/36/03/56/267360356.db2.gz LRZTUMHOCMXICI-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)cc1[O-] ZINC000358783458 268036838 /nfs/dbraw/zinc/03/68/38/268036838.db2.gz WWKMJMOGQGKMMQ-NSHDSACASA-N -1 1 308.328 3.209 20 30 DGEDMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000069127708 431163483 /nfs/dbraw/zinc/16/34/83/431163483.db2.gz BHQWHPAFBHMCES-ZETCQYMHSA-N -1 1 316.258 3.429 20 30 DGEDMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000069127710 431165200 /nfs/dbraw/zinc/16/52/00/431165200.db2.gz BHQWHPAFBHMCES-SSDOTTSWSA-N -1 1 316.258 3.429 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000007402396 431346731 /nfs/dbraw/zinc/34/67/31/431346731.db2.gz JDBPKXRMHPTPRI-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1Cl ZINC000010514776 431464172 /nfs/dbraw/zinc/46/41/72/431464172.db2.gz BVLNDMZKMOODKN-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000116905888 431538264 /nfs/dbraw/zinc/53/82/64/431538264.db2.gz FICFOIOXSNYMAJ-LURJTMIESA-N -1 1 300.232 3.298 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-n3cccn3)c2)n1 ZINC000117081846 431546876 /nfs/dbraw/zinc/54/68/76/431546876.db2.gz ZMBDNPGAUMCDEE-CQSZACIVSA-N -1 1 308.366 3.127 20 30 DGEDMM Cc1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000078379952 431664778 /nfs/dbraw/zinc/66/47/78/431664778.db2.gz NTYJPXMXUPKBBI-QMMMGPOBSA-N -1 1 314.267 3.187 20 30 DGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000094032887 431919201 /nfs/dbraw/zinc/91/92/01/431919201.db2.gz SIXZRNOSPXYCHF-UHFFFAOYSA-N -1 1 315.344 3.368 20 30 DGEDMM C[C@@H](c1ccc(C#N)cc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000194973137 432591619 /nfs/dbraw/zinc/59/16/19/432591619.db2.gz COVABHIJTSFROY-NSHDSACASA-N -1 1 324.409 3.049 20 30 DGEDMM CCCOc1cccc(CCNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188946821 432753216 /nfs/dbraw/zinc/75/32/16/432753216.db2.gz XBTILEXEENWIGQ-UHFFFAOYSA-N -1 1 324.380 3.025 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1[O-] ZINC000188455731 432727989 /nfs/dbraw/zinc/72/79/89/432727989.db2.gz IZNFHNDGDLRWIX-QGZVFWFLSA-N -1 1 306.365 3.015 20 30 DGEDMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188571309 432732595 /nfs/dbraw/zinc/73/25/95/432732595.db2.gz IFGOUWSCIVXAGT-CQSZACIVSA-N -1 1 308.381 3.242 20 30 DGEDMM Cc1sc([N-]C(=O)c2ncoc2[C@H]2CCCO2)c(C#N)c1C ZINC000331667890 432957646 /nfs/dbraw/zinc/95/76/46/432957646.db2.gz UKXUPSPDUDGFBF-LLVKDONJSA-N -1 1 317.370 3.328 20 30 DGEDMM CC(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000299303333 433357405 /nfs/dbraw/zinc/35/74/05/433357405.db2.gz YXWQOOJATGEQLH-ZDUSSCGKSA-N -1 1 300.736 3.486 20 30 DGEDMM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)c1 ZINC000426768585 433590709 /nfs/dbraw/zinc/59/07/09/433590709.db2.gz AIOCPIIIXIEROW-INIZCTEOSA-N -1 1 315.369 3.458 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427129972 433657642 /nfs/dbraw/zinc/65/76/42/433657642.db2.gz CUOYVNKVPPJOKT-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000422126953 433881862 /nfs/dbraw/zinc/88/18/62/433881862.db2.gz XSUORGOBZIRWIK-LBPRGKRZSA-N -1 1 315.354 3.467 20 30 DGEDMM C[C@](Cc1ccccc1)(NC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000457040753 433945113 /nfs/dbraw/zinc/94/51/13/433945113.db2.gz KDFFRLYPWZAROK-HXUWFJFHSA-N -1 1 320.392 3.405 20 30 DGEDMM N#Cc1ccc(F)c(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436592278 434027453 /nfs/dbraw/zinc/02/74/53/434027453.db2.gz STOAEGPKVPLXRH-UHFFFAOYSA-N -1 1 320.323 3.486 20 30 DGEDMM O=C(NCC#Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436752726 434097560 /nfs/dbraw/zinc/09/75/60/434097560.db2.gz AWYURXHDQBZQIS-UHFFFAOYSA-N -1 1 301.345 3.327 20 30 DGEDMM C=CCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436960278 434183107 /nfs/dbraw/zinc/18/31/07/434183107.db2.gz GMSZLDKCLIWEDF-QGZVFWFLSA-N -1 1 309.365 3.399 20 30 DGEDMM C=CCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436960276 434184542 /nfs/dbraw/zinc/18/45/42/434184542.db2.gz GMSZLDKCLIWEDF-KRWDZBQOSA-N -1 1 309.365 3.399 20 30 DGEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000437508411 434275308 /nfs/dbraw/zinc/27/53/08/434275308.db2.gz PBMRKVCPJIVBIS-KBXCAEBGSA-N -1 1 311.381 3.256 20 30 DGEDMM Cc1csc([C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)n1 ZINC000295449939 434366760 /nfs/dbraw/zinc/36/67/60/434366760.db2.gz RKABPMLNJGRKQC-UHNVWZDZSA-N -1 1 324.221 3.072 20 30 DGEDMM C=CCN(CC1CCCCC1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287479923 434370122 /nfs/dbraw/zinc/37/01/22/434370122.db2.gz PGNWOSXVVFXOHF-UHFFFAOYSA-N -1 1 301.386 3.170 20 30 DGEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1sccc1F ZINC000450987769 434516284 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CCCc1cc(=O)[n-]c(SCCCC2(C#N)CCOCC2)n1 ZINC000540611475 435610132 /nfs/dbraw/zinc/61/01/32/435610132.db2.gz ZEVIDMUXLNLAHY-UHFFFAOYSA-N -1 1 321.446 3.327 20 30 DGEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(F)cc1 ZINC000491535439 435768182 /nfs/dbraw/zinc/76/81/82/435768182.db2.gz BTXKJKGLWADICN-CQSZACIVSA-N -1 1 318.298 3.112 20 30 DGEDMM Cc1ccc(C#N)nc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000663740212 436499427 /nfs/dbraw/zinc/49/94/27/436499427.db2.gz XCFGQAPZWABOMH-UHFFFAOYSA-N -1 1 321.380 3.067 20 30 DGEDMM COc1cc(C#N)ccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000581636059 324138574 /nfs/dbraw/zinc/13/85/74/324138574.db2.gz GWBXHBPLUOUSHX-UHFFFAOYSA-N -1 1 323.324 3.292 20 30 DGEDMM N#CCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000543838936 341061164 /nfs/dbraw/zinc/06/11/64/341061164.db2.gz PRJBLCJXPQBXEZ-UHFFFAOYSA-N -1 1 312.291 3.177 20 30 DGEDMM N#CCCCOc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080003593 341268486 /nfs/dbraw/zinc/26/84/86/341268486.db2.gz IQKPZGXOIBSYIX-UHFFFAOYSA-N -1 1 314.316 3.466 20 30 DGEDMM Cc1nc(NC(=O)c2cc(F)ccc2[O-])sc1SCC#N ZINC000081942705 341310799 /nfs/dbraw/zinc/31/07/99/341310799.db2.gz DKXLVEOTPZVGGD-UHFFFAOYSA-N -1 1 323.374 3.164 20 30 DGEDMM N#CCCCOc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000154808402 341596265 /nfs/dbraw/zinc/59/62/65/341596265.db2.gz UKBWDEOTDBRHHT-UHFFFAOYSA-N -1 1 314.316 3.466 20 30 DGEDMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000427965267 533837428 /nfs/dbraw/zinc/83/74/28/533837428.db2.gz AXWOUABWLHLXPM-SECBINFHSA-N -1 1 300.280 3.115 20 30 DGEDMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355846703 534083529 /nfs/dbraw/zinc/08/35/29/534083529.db2.gz UBPBSGVIUIZJRA-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM N#CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCCC1 ZINC000343019133 534547411 /nfs/dbraw/zinc/54/74/11/534547411.db2.gz XXIMMVLFLNPBJU-UHFFFAOYSA-N -1 1 310.357 3.195 20 30 DGEDMM N#CC(=C([O-])c1cncc(-c2ccccc2)c1)c1ccncn1 ZINC000354466220 534740607 /nfs/dbraw/zinc/74/06/07/534740607.db2.gz MPFDBLDSLUTFLA-INIZCTEOSA-N -1 1 300.321 3.029 20 30 DGEDMM N#C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1Cl ZINC000179570326 534747264 /nfs/dbraw/zinc/74/72/64/534747264.db2.gz VVAZDTDASUASNZ-ZDUSSCGKSA-N -1 1 304.708 3.179 20 30 DGEDMM C=C(C)CCc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000347206644 526463698 /nfs/dbraw/zinc/46/36/98/526463698.db2.gz BWGLEZGSMMGDIY-UHFFFAOYSA-N -1 1 308.341 3.199 20 30 DGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000350865303 527511490 /nfs/dbraw/zinc/51/14/90/527511490.db2.gz AYRIFALHODTTEG-UHFFFAOYSA-N -1 1 318.398 3.010 20 30 DGEDMM CCCCCCCCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155539798 528122491 /nfs/dbraw/zinc/12/24/91/528122491.db2.gz WDGRBWGLTJFJRQ-CQSZACIVSA-N -1 1 307.442 3.046 20 30 DGEDMM CCOc1cc(C(=O)NC[C@@]2(C)CCOC2)cc(Cl)c1[O-] ZINC000330878620 528189381 /nfs/dbraw/zinc/18/93/81/528189381.db2.gz LMLRTFLCJLVKTJ-OAHLLOKOSA-N -1 1 313.781 3.176 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000416936790 529270939 /nfs/dbraw/zinc/27/09/39/529270939.db2.gz CDSMXDVHPDVNSB-ZDUSSCGKSA-N -1 1 321.427 3.162 20 30 DGEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451557630 535006735 /nfs/dbraw/zinc/00/67/35/535006735.db2.gz BXMIJZWIRJDLST-UHFFFAOYSA-N -1 1 306.840 3.010 20 30 DGEDMM C=CCCS(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000676233386 548335755 /nfs/dbraw/zinc/33/57/55/548335755.db2.gz JNNLTGBRJFRNDR-UHFFFAOYSA-N -1 1 304.371 3.192 20 30 DGEDMM Cc1nonc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000733933763 574643807 /nfs/dbraw/zinc/64/38/07/574643807.db2.gz LCKDKZZOMGNMNN-VIFPVBQESA-N -1 1 302.359 3.025 20 30 DGEDMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000736661348 574762148 /nfs/dbraw/zinc/76/21/48/574762148.db2.gz FJXVMNUCMIIEEL-QFYYESIMSA-N -1 1 316.307 3.313 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C(C)C)C2CCCCC2)o1 ZINC000737467433 574846495 /nfs/dbraw/zinc/84/64/95/574846495.db2.gz OPHWEHJXYXWLDX-UHFFFAOYSA-N -1 1 317.397 3.167 20 30 DGEDMM N#Cc1ccc([C@H](NCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739105405 574892370 /nfs/dbraw/zinc/89/23/70/574892370.db2.gz GUBASMCXSJQWJN-HNNXBMFYSA-N -1 1 300.745 3.127 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(-c2ccncc2)c1 ZINC000741451798 574958140 /nfs/dbraw/zinc/95/81/40/574958140.db2.gz WHFJFDZJIOFGCX-UHFFFAOYSA-N -1 1 319.368 3.389 20 30 DGEDMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C#N)CCCCC2)c1 ZINC000744858157 575361119 /nfs/dbraw/zinc/36/11/19/575361119.db2.gz JDDCBXZANVGEPP-UHFFFAOYSA-N -1 1 315.369 3.155 20 30 DGEDMM CC(C)c1nc(C#N)c(N=NCc2cc(F)c([O-])c(F)c2)o1 ZINC000749855325 575683100 /nfs/dbraw/zinc/68/31/00/575683100.db2.gz JFBCNGSUTBUEEP-UHFFFAOYSA-N -1 1 306.272 3.099 20 30 DGEDMM [O-]c1c(F)cc(CN=Nc2nc(-c3ccccc3)no2)cc1F ZINC000749855415 575683239 /nfs/dbraw/zinc/68/32/39/575683239.db2.gz MTTNQHOKMAGEMM-UHFFFAOYSA-N -1 1 316.267 3.166 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccs3)nc1-2 ZINC000750722951 575747034 /nfs/dbraw/zinc/74/70/34/575747034.db2.gz GDLWXGIPEYXNBQ-RXNFCKPNSA-N -1 1 308.366 3.218 20 30 DGEDMM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc2ccccc2n1 ZINC000751131184 575771421 /nfs/dbraw/zinc/77/14/21/575771421.db2.gz MHMLNQJGVYWSPT-UHFFFAOYSA-N -1 1 308.297 3.295 20 30 DGEDMM COc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(F)cc1O ZINC000727778361 576144908 /nfs/dbraw/zinc/14/49/08/576144908.db2.gz FAAUVBYPRCJTSZ-UHFFFAOYSA-N -1 1 319.292 3.284 20 30 DGEDMM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc(F)cc1[O-] ZINC000727778361 576144910 /nfs/dbraw/zinc/14/49/10/576144910.db2.gz FAAUVBYPRCJTSZ-UHFFFAOYSA-N -1 1 319.292 3.284 20 30 DGEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916913208 620650053 /nfs/dbraw/zinc/65/00/53/620650053.db2.gz VFXBLUIBTAFUGU-SNVBAGLBSA-N -1 1 302.717 3.203 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)c(O)c1 ZINC000806558607 617629626 /nfs/dbraw/zinc/62/96/26/617629626.db2.gz HNEDYQJINBSLRI-DAFODLJHSA-N -1 1 322.238 3.404 20 30 DGEDMM C[C@@H](CC#N)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000854431764 620803296 /nfs/dbraw/zinc/80/32/96/620803296.db2.gz AXGRFIKYRGPWGB-LURJTMIESA-N -1 1 317.570 3.296 20 30 DGEDMM CC(C)(CCC#N)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894858980 618480895 /nfs/dbraw/zinc/48/08/95/618480895.db2.gz NQOSMMROHQSCMR-UHFFFAOYSA-N -1 1 309.797 3.175 20 30 DGEDMM O=C(/C=C/c1cnn(CC2CCC2)c1)c1cccc([O-])c1F ZINC000899389282 619334377 /nfs/dbraw/zinc/33/43/77/619334377.db2.gz FQGCQQVVPFBZDL-BQYQJAHWSA-N -1 1 300.333 3.424 20 30 DGEDMM C[C@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000901378381 619492284 /nfs/dbraw/zinc/49/22/84/619492284.db2.gz KMBCPLBRWHBBTE-CYBMUJFWSA-N -1 1 304.173 3.280 20 30 DGEDMM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc(F)cc1[O-] ZINC000789073222 625351515 /nfs/dbraw/zinc/35/15/15/625351515.db2.gz HOTJHQYHFDFUHD-UHFFFAOYSA-N -1 1 311.316 3.209 20 30 DGEDMM O=C(/C=C\c1cccc([O-])c1Cl)c1cc2n(n1)CCCC2 ZINC000901563359 619517109 /nfs/dbraw/zinc/51/71/09/619517109.db2.gz PCVWQAYHAUKIRP-FPLPWBNLSA-N -1 1 302.761 3.475 20 30 DGEDMM O=C(CC(F)(F)C(F)(F)F)Nc1cc([O-])c(F)cc1F ZINC000909971933 620264350 /nfs/dbraw/zinc/26/43/50/620264350.db2.gz HSNGJDLOMFCETD-UHFFFAOYSA-N -1 1 305.149 3.197 20 30 DGEDMM CCCCCCCCCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742887 620475928 /nfs/dbraw/zinc/47/59/28/620475928.db2.gz ZTZWULYVMDFTNK-UHFFFAOYSA-N -1 1 307.442 3.046 20 30 DGEDMM [O-]c1ccc(C=NNCc2cccc(F)c2)cc1Br ZINC000915965624 620611785 /nfs/dbraw/zinc/61/17/85/620611785.db2.gz VZOJVWRCVWXJDS-UHFFFAOYSA-N -1 1 323.165 3.418 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3ccncc3)cc2F)n1 ZINC000752712647 621405355 /nfs/dbraw/zinc/40/53/55/621405355.db2.gz BSCUYGPXVIOWHW-UHFFFAOYSA-N -1 1 323.331 3.138 20 30 DGEDMM Cc1ncoc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000755604746 621580810 /nfs/dbraw/zinc/58/08/10/621580810.db2.gz SOIRJRFTVGOSGK-AWEZNQCLSA-N -1 1 319.320 3.097 20 30 DGEDMM CCCCCC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755724932 621588425 /nfs/dbraw/zinc/58/84/25/621588425.db2.gz BWODQUZRGBUBDQ-UHFFFAOYSA-N -1 1 304.398 3.265 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1nc(C)sc1C ZINC000756898992 621670904 /nfs/dbraw/zinc/67/09/04/621670904.db2.gz KRRLRFTWKXODGI-UHFFFAOYSA-N -1 1 319.386 3.303 20 30 DGEDMM C=C[C@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000757426121 621709795 /nfs/dbraw/zinc/70/97/95/621709795.db2.gz WZDXSNOGKTWJSH-JTQLQIEISA-N -1 1 306.362 3.044 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccccc2-n2cncn2)c1 ZINC000757467493 621714274 /nfs/dbraw/zinc/71/42/74/621714274.db2.gz DYQPUFUVZGTNCJ-VQHVLOKHSA-N -1 1 305.337 3.177 20 30 DGEDMM O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)c1cc(O)ccc1[O-] ZINC000757467672 621714379 /nfs/dbraw/zinc/71/43/79/621714379.db2.gz IPBDSJNQUZBPFE-IWQZZHSRSA-N -1 1 318.712 3.376 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc3cccc(C)n23)c1 ZINC000757467759 621714447 /nfs/dbraw/zinc/71/44/47/621714447.db2.gz KDNCNHNUHFBNJO-SOFGYWHQSA-N -1 1 308.337 3.253 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cc(F)c(F)c(F)c2)c1 ZINC000757473003 621715275 /nfs/dbraw/zinc/71/52/75/621715275.db2.gz LZSVYVZNEGNYKB-IWQZZHSRSA-N -1 1 322.238 3.404 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CCCc3c(Cl)cccc32)n1 ZINC000758070932 621756519 /nfs/dbraw/zinc/75/65/19/621756519.db2.gz XCILWYOYLBBJHR-UHFFFAOYSA-N -1 1 302.765 3.297 20 30 DGEDMM C=CCC(CC=C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000759005404 621818251 /nfs/dbraw/zinc/81/82/51/621818251.db2.gz KBFLVJVOFYBRKC-UHFFFAOYSA-N -1 1 314.337 3.310 20 30 DGEDMM C[C@H](Nc1ccc(N2CCCC2)nc1)c1cccc(C#N)c1[O-] ZINC000866324283 622093987 /nfs/dbraw/zinc/09/39/87/622093987.db2.gz QKMBKYVTJRUHDY-ZDUSSCGKSA-N -1 1 308.385 3.432 20 30 DGEDMM CCNC(=O)c1ccc(C)c(N[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866328329 622094822 /nfs/dbraw/zinc/09/48/22/622094822.db2.gz OWRIEGSKWGOGDE-CYBMUJFWSA-N -1 1 323.396 3.495 20 30 DGEDMM C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(C#N)c1[O-] ZINC000866331596 622095356 /nfs/dbraw/zinc/09/53/56/622095356.db2.gz UHPNNXJRNAGLKK-LBPRGKRZSA-N -1 1 309.369 3.266 20 30 DGEDMM C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1cccc(C#N)c1[O-] ZINC000866334062 622095959 /nfs/dbraw/zinc/09/59/59/622095959.db2.gz QZVHUNIHTQTWHX-WFASDCNBSA-N -1 1 321.380 3.040 20 30 DGEDMM COCCOc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1 ZINC000121058714 622117318 /nfs/dbraw/zinc/11/73/18/622117318.db2.gz CUNSHPQZODFJRD-KRXBUXKQSA-N -1 1 316.328 3.453 20 30 DGEDMM C=C1CC(C)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000867830779 622186855 /nfs/dbraw/zinc/18/68/55/622186855.db2.gz IPKOYUKLSPYMQM-UHFFFAOYSA-N -1 1 310.191 3.127 20 30 DGEDMM C=CCNC(=S)NN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000765992377 622299198 /nfs/dbraw/zinc/29/91/98/622299198.db2.gz ANIFVTSZVOHVAJ-UHFFFAOYSA-N -1 1 318.229 3.073 20 30 DGEDMM CC(=NNC(=S)Nc1cccnc1)c1ccc([O-])c(Cl)c1 ZINC000768767607 622475595 /nfs/dbraw/zinc/47/55/95/622475595.db2.gz KAIKQGVDKLKSEM-UHFFFAOYSA-N -1 1 320.805 3.151 20 30 DGEDMM CCN(CC)[C@H](C(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC000870693217 622497293 /nfs/dbraw/zinc/49/72/93/622497293.db2.gz YWLUBXFYBLRTQN-SFHVURJKSA-N -1 1 323.396 3.051 20 30 DGEDMM O=C([N-]CC(F)(F)c1cc(F)cc(F)c1)C(F)C(F)(F)F ZINC000881835448 625574079 /nfs/dbraw/zinc/57/40/79/625574079.db2.gz DKKSGLQIQGBKOI-MRVPVSSYSA-N -1 1 321.167 3.073 20 30 DGEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C(C)C ZINC000769808005 622562782 /nfs/dbraw/zinc/56/27/82/622562782.db2.gz ZULQIILAQUUDGP-UHFFFAOYSA-N -1 1 304.398 3.121 20 30 DGEDMM CC(C)C(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CC1 ZINC000769807488 622562983 /nfs/dbraw/zinc/56/29/83/622562983.db2.gz NELMIQOVYJTHJS-UHFFFAOYSA-N -1 1 316.409 3.121 20 30 DGEDMM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000769822688 622564974 /nfs/dbraw/zinc/56/49/74/622564974.db2.gz LCPPUJMHVGEMGG-UHFFFAOYSA-N -1 1 307.256 3.415 20 30 DGEDMM [O-]c1ccc(Cl)c(F)c1C=Nn1cnnc1-c1ccccc1 ZINC000790155346 625610529 /nfs/dbraw/zinc/61/05/29/625610529.db2.gz GYYOPHGSKWGEFP-UHFFFAOYSA-N -1 1 316.723 3.325 20 30 DGEDMM COc1c([O-])c(C=NNc2cc(C)ccc2F)ccc1[N+](=O)[O-] ZINC000773070327 622977915 /nfs/dbraw/zinc/97/79/15/622977915.db2.gz YYLZIIJAFUVJLZ-UHFFFAOYSA-N -1 1 319.292 3.203 20 30 DGEDMM CC(=NNc1nccnc1C(C)C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000773091045 622981727 /nfs/dbraw/zinc/98/17/27/622981727.db2.gz MNRSABMXZPEBOZ-UHFFFAOYSA-N -1 1 315.333 3.050 20 30 DGEDMM CC[C@](C)([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000875378289 623443905 /nfs/dbraw/zinc/44/39/05/623443905.db2.gz PMBDAXOLZVMPKG-LURJTMIESA-N -1 1 301.177 3.421 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cc(F)ccc1C ZINC000777889598 623581027 /nfs/dbraw/zinc/58/10/27/623581027.db2.gz KZNTZCSALXPOKR-UHFFFAOYSA-N -1 1 302.305 3.287 20 30 DGEDMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCCCC#N)c1 ZINC000805696108 624127741 /nfs/dbraw/zinc/12/77/41/624127741.db2.gz WEKNUFKKPYNQJS-UHFFFAOYSA-N -1 1 303.358 3.155 20 30 DGEDMM C=CCCN(OCc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000783872950 624403416 /nfs/dbraw/zinc/40/34/16/624403416.db2.gz NUNDPLYRFKTABM-UHFFFAOYSA-N -1 1 322.364 3.414 20 30 DGEDMM C#CCCCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000783901951 624407410 /nfs/dbraw/zinc/40/74/10/624407410.db2.gz YBPFSOBSSWJMGK-UHFFFAOYSA-N -1 1 311.179 3.072 20 30 DGEDMM C=CCCC[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC000879705182 624645269 /nfs/dbraw/zinc/64/52/69/624645269.db2.gz MKVAJOCPFPXJFO-WBVHZDCISA-N -1 1 303.402 3.211 20 30 DGEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1OC ZINC000785515829 624681488 /nfs/dbraw/zinc/68/14/88/624681488.db2.gz CDNPCYSTYDHGND-HNNXBMFYSA-N -1 1 310.353 3.154 20 30 DGEDMM [O-]c1c(O)cc(C=NNC2CCCCC2)cc1Br ZINC000786040686 624784975 /nfs/dbraw/zinc/78/49/75/624784975.db2.gz QLKDKNIAHKYFMH-UHFFFAOYSA-N -1 1 313.195 3.117 20 30 DGEDMM O=C(/C=C/c1ncc(C(F)(F)F)s1)c1cc(O)ccc1[O-] ZINC000788355852 625136104 /nfs/dbraw/zinc/13/61/04/625136104.db2.gz PRHQJILAYFPDTD-ONEGZZNKSA-N -1 1 315.272 3.469 20 30 DGEDMM N#Cc1ccc(COC(=O)c2c([O-])cc(F)cc2F)cc1F ZINC000791352587 625783206 /nfs/dbraw/zinc/78/32/06/625783206.db2.gz NRXGZMSUCAYEAI-UHFFFAOYSA-N -1 1 307.227 3.038 20 30 DGEDMM C=C[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)(C)C ZINC000798903570 626256233 /nfs/dbraw/zinc/25/62/33/626256233.db2.gz YQUZMXUYWYRETP-LBPRGKRZSA-N -1 1 324.446 3.289 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C/c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000799895045 626334073 /nfs/dbraw/zinc/33/40/73/626334073.db2.gz JNMHQZJZRYSQHN-VMPITWQZSA-N -1 1 319.364 3.486 20 30 DGEDMM CC[C@H](C#N)OC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000801412691 626403562 /nfs/dbraw/zinc/40/35/62/626403562.db2.gz QKLSVBRTTXFDDV-CQSZACIVSA-N -1 1 313.357 3.160 20 30 DGEDMM Cc1nsc(NCc2cccc(Br)c2[O-])c1C#N ZINC000804653960 626699849 /nfs/dbraw/zinc/69/98/49/626699849.db2.gz DVBRUHWSFXIRLH-UHFFFAOYSA-N -1 1 324.203 3.403 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2nc(Cl)cs2)c(O)c1 ZINC000806558406 626720594 /nfs/dbraw/zinc/72/05/94/626720594.db2.gz BMGQQUOOEABKBY-ONEGZZNKSA-N -1 1 309.730 3.096 20 30 DGEDMM C=CC(C)(C)CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000884651780 626921613 /nfs/dbraw/zinc/92/16/13/626921613.db2.gz YXENXVJNZCMCAK-UHFFFAOYSA-N -1 1 302.326 3.144 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cscc2C(F)(F)F)n1 ZINC000811629349 627296759 /nfs/dbraw/zinc/29/67/59/627296759.db2.gz XMQNORLSXIUWGZ-UHFFFAOYSA-N -1 1 302.281 3.017 20 30 DGEDMM N#Cc1ccc(C=C2SC(=S)[N-]C2=O)c(C(F)(F)F)c1 ZINC000811627853 627296787 /nfs/dbraw/zinc/29/67/87/627296787.db2.gz YNLIJVNKEHJKBR-WTKPLQERSA-N -1 1 314.313 3.066 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811835690 627326873 /nfs/dbraw/zinc/32/68/73/627326873.db2.gz JEZITCAJFJSNTI-UHFFFAOYSA-N -1 1 321.789 3.024 20 30 DGEDMM N#Cc1ccc(C(=O)NCCC2CCC(F)(F)CC2)cc1[O-] ZINC000890058857 627500086 /nfs/dbraw/zinc/50/00/86/627500086.db2.gz VKGVWPJQJGQSHW-UHFFFAOYSA-N -1 1 308.328 3.209 20 30 DGEDMM Cc1cc(C)c(C(=O)[O-])cc1C=[NH+][N-]c1nc2ccccc2n1C ZINC000814807256 627593284 /nfs/dbraw/zinc/59/32/84/627593284.db2.gz MZCVRXOODOKXRH-UHFFFAOYSA-N -1 1 322.368 3.334 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C)nc1C ZINC000814886574 627602550 /nfs/dbraw/zinc/60/25/50/627602550.db2.gz GBHMCBSMHJVIRN-UHFFFAOYSA-N -1 1 313.357 3.241 20 30 DGEDMM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1cccc(Cl)n1 ZINC000814939613 627611491 /nfs/dbraw/zinc/61/14/91/627611491.db2.gz XCWVKQLQZLISHO-UHFFFAOYSA-N -1 1 303.749 3.496 20 30 DGEDMM C#C[C@H]([N-]C(=O)C(F)(F)CC=C)c1ccc(Cl)cc1F ZINC000816644077 627819250 /nfs/dbraw/zinc/81/92/50/627819250.db2.gz BKBVINUCAWQQKT-LBPRGKRZSA-N -1 1 301.695 3.481 20 30 DGEDMM CC[C@@H](Nc1ccc(CNC(C)=O)cc1)c1cccc(C#N)c1[O-] ZINC000926086915 627839817 /nfs/dbraw/zinc/83/98/17/627839817.db2.gz CAQRCMYYPRFBAH-GOSISDBHSA-N -1 1 323.396 3.463 20 30 DGEDMM CC[C@H](Nc1cc(CCOC)ccn1)c1cccc(C#N)c1[O-] ZINC000926406808 627890846 /nfs/dbraw/zinc/89/08/46/627890846.db2.gz AJHKDOAVJLFTMF-INIZCTEOSA-N -1 1 311.385 3.411 20 30 DGEDMM CC[C@@H](Nc1cccc2c1CN(C)C2=O)c1cccc(C#N)c1[O-] ZINC000926581922 627917131 /nfs/dbraw/zinc/91/71/31/627917131.db2.gz SPXRRQHDZJIZAP-MRXNPFEDSA-N -1 1 321.380 3.413 20 30 DGEDMM C=CCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000819734163 628184124 /nfs/dbraw/zinc/18/41/24/628184124.db2.gz JHJBJNZBNKRSRW-AWEZNQCLSA-N -1 1 306.373 3.381 20 30 DGEDMM C=CCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000819734163 628184126 /nfs/dbraw/zinc/18/41/26/628184126.db2.gz JHJBJNZBNKRSRW-AWEZNQCLSA-N -1 1 306.373 3.381 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000821007578 628325279 /nfs/dbraw/zinc/32/52/79/628325279.db2.gz JGDPEFLQMRKTJP-ORCRQEGFSA-N -1 1 305.236 3.475 20 30 DGEDMM C=CC[N@H+](Cc1cccs1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823919578 628610406 /nfs/dbraw/zinc/61/04/06/628610406.db2.gz KUNUMSIKAPHANC-UHFFFAOYSA-N -1 1 317.443 3.178 20 30 DGEDMM C=CC[N@@H+](Cc1cccs1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823919578 628610409 /nfs/dbraw/zinc/61/04/09/628610409.db2.gz KUNUMSIKAPHANC-UHFFFAOYSA-N -1 1 317.443 3.178 20 30 DGEDMM CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825271693 628744901 /nfs/dbraw/zinc/74/49/01/628744901.db2.gz LZOXWTFXAXBQLG-UHFFFAOYSA-N -1 1 307.423 3.019 20 30 DGEDMM CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825271693 628744905 /nfs/dbraw/zinc/74/49/05/628744905.db2.gz LZOXWTFXAXBQLG-UHFFFAOYSA-N -1 1 307.423 3.019 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000826266062 628836787 /nfs/dbraw/zinc/83/67/87/628836787.db2.gz ALAHARVOVHPACQ-HYXAFXHYSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826266062 628836790 /nfs/dbraw/zinc/83/67/90/628836790.db2.gz ALAHARVOVHPACQ-HYXAFXHYSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000826297902 628842548 /nfs/dbraw/zinc/84/25/48/628842548.db2.gz WJPICZHOUKDLAY-SREVYHEPSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000826297902 628842551 /nfs/dbraw/zinc/84/25/51/628842551.db2.gz WJPICZHOUKDLAY-SREVYHEPSA-N -1 1 310.382 3.441 20 30 DGEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC000827716908 628985079 /nfs/dbraw/zinc/98/50/79/628985079.db2.gz BWOLLECPMXPVNO-QFYYESIMSA-N -1 1 316.307 3.313 20 30 DGEDMM O=C([O-])N1CCCc2cccc(CN=Nc3ccc(F)cn3)c21 ZINC000832018259 629435866 /nfs/dbraw/zinc/43/58/66/629435866.db2.gz DZZVLJBROAFIRC-UHFFFAOYSA-N -1 1 314.320 3.097 20 30 DGEDMM O=C([O-])c1cc(/C=C/C(=O)c2ccc3ccccc3c2O)c[nH]1 ZINC000833298538 629579934 /nfs/dbraw/zinc/57/99/34/629579934.db2.gz YQAYWDYSSOTCLX-VMPITWQZSA-N -1 1 307.305 3.468 20 30 DGEDMM CC(C)CC[C@@H]1CCC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000834958163 629812573 /nfs/dbraw/zinc/81/25/73/629812573.db2.gz GHWNLLLVMODOPY-LLVKDONJSA-N -1 1 316.409 3.073 20 30 DGEDMM CC(C)c1nc(C(C)N=Nc2ccc(C(=O)[O-])nc2)cs1 ZINC000835007198 629820814 /nfs/dbraw/zinc/82/08/14/629820814.db2.gz QOGQSSWCXHAHES-UHFFFAOYSA-N -1 1 304.375 3.196 20 30 DGEDMM CC[C@@H](C)CON=Cc1cc(O)cc(Br)c1[O-] ZINC000793146982 661007687 /nfs/dbraw/zinc/00/76/87/661007687.db2.gz WZAARTOPEAWNDN-MRVPVSSYSA-N -1 1 302.168 3.257 20 30 DGEDMM COC(=O)c1csc(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000794724406 661101854 /nfs/dbraw/zinc/10/18/54/661101854.db2.gz FTGIOYHDHDWIQT-HYXAFXHYSA-N -1 1 306.314 3.276 20 30 DGEDMM O=C(/C=C\c1ccnn1-c1ccc(F)cc1)c1cc(O)ccc1[O-] ZINC000794941162 661115202 /nfs/dbraw/zinc/11/52/02/661115202.db2.gz JMYWWJNFXXMIMC-ALCCZGGFSA-N -1 1 324.311 3.319 20 30 DGEDMM O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000255135167 655608592 /nfs/dbraw/zinc/60/85/92/655608592.db2.gz DCZGLOQHSDJPNU-BHQIHCQQSA-N -1 1 303.245 3.041 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccc3c2OCCO3)c1 ZINC000176956049 655884231 /nfs/dbraw/zinc/88/42/31/655884231.db2.gz GTHIEQPRBUTDJP-FNORWQNLSA-N -1 1 312.321 3.068 20 30 DGEDMM C=CCN1C(=O)/C(=C/c2cc(F)c([O-])c(F)c2)SC1=S ZINC000255909781 655965739 /nfs/dbraw/zinc/96/57/39/655965739.db2.gz IJEPMQJEIXTUEW-POHAHGRESA-N -1 1 313.350 3.058 20 30 DGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000183111567 656110807 /nfs/dbraw/zinc/11/08/07/656110807.db2.gz NEVKMNMZGFASGJ-SNVBAGLBSA-N -1 1 300.289 3.074 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3cc(C)c(C)cc3o2)c(=O)o1 ZINC000178548598 656790120 /nfs/dbraw/zinc/79/01/20/656790120.db2.gz INZWXKQBGHLSJI-SHCNBLLESA-N -1 1 324.332 3.278 20 30 DGEDMM C=C(Br)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000049297717 657384368 /nfs/dbraw/zinc/38/43/68/657384368.db2.gz PEFLWLLIFLCKLZ-UHFFFAOYSA-N -1 1 306.159 3.184 20 30 DGEDMM C=CCN1C(=O)/C(=C\c2cc(F)c([O-])c(F)c2)SC1=S ZINC000175316251 659918821 /nfs/dbraw/zinc/91/88/21/659918821.db2.gz IJEPMQJEIXTUEW-UXBLZVDNSA-N -1 1 313.350 3.058 20 30 DGEDMM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932052399 661533384 /nfs/dbraw/zinc/53/33/84/661533384.db2.gz VQDXDXOZVUMEGK-CQSZACIVSA-N -1 1 312.373 3.150 20 30 DGEDMM CCCCCCCCCCn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001577504607 1191905730 /nfs/dbraw/zinc/90/57/30/1191905730.db2.gz AJZGHDKNBZVANX-UHFFFAOYSA-N -1 1 317.437 3.478 20 30 DGEDMM N#Cc1cccc(SCc2ccc(-c3nnn[n-]3)o2)c1Cl ZINC001581875503 1192080170 /nfs/dbraw/zinc/08/01/70/1192080170.db2.gz AMRVRRLXCUIVJM-UHFFFAOYSA-N -1 1 317.761 3.277 20 30 DGEDMM N#Cc1cccc(SCc2ccc(-c3nn[n-]n3)o2)c1Cl ZINC001581875503 1192080172 /nfs/dbraw/zinc/08/01/72/1192080172.db2.gz AMRVRRLXCUIVJM-UHFFFAOYSA-N -1 1 317.761 3.277 20 30 DGEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001662155930 1196687607 /nfs/dbraw/zinc/68/76/07/1196687607.db2.gz JKICGVOSGNRUTD-UHFFFAOYSA-N -1 1 305.802 3.360 20 30 DGEDMM C=CC[C@H]1CCCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001588560916 1192450393 /nfs/dbraw/zinc/45/03/93/1192450393.db2.gz VPFYNKLQJHGAIZ-CMPLNLGQSA-N -1 1 318.812 3.462 20 30 DGEDMM C=CC[C@H]1CCCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001588560916 1192450396 /nfs/dbraw/zinc/45/03/96/1192450396.db2.gz VPFYNKLQJHGAIZ-CMPLNLGQSA-N -1 1 318.812 3.462 20 30 DGEDMM Cc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2)c([O-])c1 ZINC001591945220 1192581694 /nfs/dbraw/zinc/58/16/94/1192581694.db2.gz BRJINMKBHCJINI-VMPITWQZSA-N -1 1 320.352 3.085 20 30 DGEDMM N#Cc1cc(-c2ccsc2-c2nnn[n-]2)cc(N2CCCC2)c1 ZINC001592686112 1192626205 /nfs/dbraw/zinc/62/62/05/1192626205.db2.gz GEDHDIUXKZQFAI-UHFFFAOYSA-N -1 1 322.397 3.067 20 30 DGEDMM N#Cc1cc(-c2ccsc2-c2nn[n-]n2)cc(N2CCCC2)c1 ZINC001592686112 1192626208 /nfs/dbraw/zinc/62/62/08/1192626208.db2.gz GEDHDIUXKZQFAI-UHFFFAOYSA-N -1 1 322.397 3.067 20 30 DGEDMM N#Cc1cccc(Cl)c1SCc1ccc(-c2nnn[n-]2)o1 ZINC001592701276 1192627067 /nfs/dbraw/zinc/62/70/67/1192627067.db2.gz JHYOBGIBRVZAIB-UHFFFAOYSA-N -1 1 317.761 3.277 20 30 DGEDMM N#Cc1cccc(Cl)c1SCc1ccc(-c2nn[n-]n2)o1 ZINC001592701276 1192627069 /nfs/dbraw/zinc/62/70/69/1192627069.db2.gz JHYOBGIBRVZAIB-UHFFFAOYSA-N -1 1 317.761 3.277 20 30 DGEDMM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)[nH]c1C(=O)[O-] ZINC001600184997 1192800267 /nfs/dbraw/zinc/80/02/67/1192800267.db2.gz BPORNZXHMWAPKN-UHFFFAOYSA-N -1 1 322.708 3.029 20 30 DGEDMM Cc1oc(C(=O)[O-])cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC001600829077 1192902181 /nfs/dbraw/zinc/90/21/81/1192902181.db2.gz OELFEGFSLQDPSZ-UHFFFAOYSA-N -1 1 322.364 3.447 20 30 DGEDMM N#CC1(C(=O)[O-])CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC001601052146 1192914475 /nfs/dbraw/zinc/91/44/75/1192914475.db2.gz KYNDNUXFAIQHRI-UHFFFAOYSA-N -1 1 310.353 3.137 20 30 DGEDMM N#CCCC[C@@H](NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001601064654 1192916016 /nfs/dbraw/zinc/91/60/16/1192916016.db2.gz FHPPSZGUCDYXMC-CYBMUJFWSA-N -1 1 315.398 3.366 20 30 DGEDMM N#Cc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001601086935 1192917278 /nfs/dbraw/zinc/91/72/78/1192917278.db2.gz NONDTDBDQCBRAL-PMPSAXMXSA-N -1 1 318.804 3.287 20 30 DGEDMM N#Cc1ccc([C@@H](NCc2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC001601096977 1192918688 /nfs/dbraw/zinc/91/86/88/1192918688.db2.gz RQEWOGKFYHVOLE-OAHLLOKOSA-N -1 1 318.735 3.266 20 30 DGEDMM N#CC(=C([O-])c1cccc(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001344540206 1179448090 /nfs/dbraw/zinc/44/80/90/1179448090.db2.gz JHOJIGHIAVCRHA-ZDUSSCGKSA-N -1 1 322.755 3.355 20 30 DGEDMM CCc1sc(C([O-])=C(C#N)c2ncc(Cl)n2C)cc1C ZINC001347339237 1179798037 /nfs/dbraw/zinc/79/80/37/1179798037.db2.gz WWANUDFAVQVCHH-SECBINFHSA-N -1 1 307.806 3.496 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1cnc(CC(C)C)s1 ZINC001349701657 1179935814 /nfs/dbraw/zinc/93/58/14/1179935814.db2.gz IHHYCYLZMIHLQX-LLVKDONJSA-N -1 1 302.403 3.048 20 30 DGEDMM C=C(C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001602770261 1192996962 /nfs/dbraw/zinc/99/69/62/1192996962.db2.gz VZOUHMWTEYVSAO-UHFFFAOYSA-N -1 1 311.370 3.214 20 30 DGEDMM C=C(C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001602770261 1192996963 /nfs/dbraw/zinc/99/69/63/1192996963.db2.gz VZOUHMWTEYVSAO-UHFFFAOYSA-N -1 1 311.370 3.214 20 30 DGEDMM C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001602870031 1193001353 /nfs/dbraw/zinc/00/13/53/1193001353.db2.gz HTOAFORHJBWFSH-UHFFFAOYSA-N -1 1 304.390 3.002 20 30 DGEDMM C=CCCCCCN(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001602870031 1193001357 /nfs/dbraw/zinc/00/13/57/1193001357.db2.gz HTOAFORHJBWFSH-UHFFFAOYSA-N -1 1 304.390 3.002 20 30 DGEDMM CCc1ccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c([O-])c1 ZINC001300270625 1180533189 /nfs/dbraw/zinc/53/31/89/1180533189.db2.gz HOMOJBOUFQKNMP-UHFFFAOYSA-N -1 1 320.352 3.263 20 30 DGEDMM CCCCCCCCCCn1ccc(-c2nn[n-]n2)cc1=O ZINC001604176788 1193058858 /nfs/dbraw/zinc/05/88/58/1193058858.db2.gz YBRDDEUSTZICHK-UHFFFAOYSA-N -1 1 303.410 3.169 20 30 DGEDMM CCCCCCCC[C@H](CO)NC(=O)c1ccc([O-])c(F)c1 ZINC001648633804 1195315622 /nfs/dbraw/zinc/31/56/22/1195315622.db2.gz PPTJAAHLEAKVLL-CQSZACIVSA-N -1 1 311.397 3.373 20 30 DGEDMM Cc1nocc1[N-]C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001437255429 1181926654 /nfs/dbraw/zinc/92/66/54/1181926654.db2.gz ZSDQFZUMSXNGEB-UHFFFAOYSA-N -1 1 323.308 3.279 20 30 DGEDMM N#Cc1ccc(C2(NC(=O)c3c([O-])cccc3F)CCC2)cc1 ZINC001452458905 1182288426 /nfs/dbraw/zinc/28/84/26/1182288426.db2.gz TURCUBKMMOBFBS-UHFFFAOYSA-N -1 1 310.328 3.212 20 30 DGEDMM C#C[C@H]1CC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001455449653 1182371285 /nfs/dbraw/zinc/37/12/85/1182371285.db2.gz VUOXWFSXVOKCTL-MQMHXKEQSA-N -1 1 309.365 3.173 20 30 DGEDMM C#C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001470663739 1183504277 /nfs/dbraw/zinc/50/42/77/1183504277.db2.gz RCMBMNMCYPLVLW-OAHLLOKOSA-N -1 1 314.772 3.219 20 30 DGEDMM C#Cc1ccc(NC(=O)c2c([O-])cccc2OC)c(Cl)c1 ZINC001472191924 1183623647 /nfs/dbraw/zinc/62/36/47/1183623647.db2.gz NBCKXLPSWNNTQU-UHFFFAOYSA-N -1 1 301.729 3.288 20 30 DGEDMM C=C[C@H](NCc1cc(-c2ccc(OC)cc2)cs1)C(=O)[O-] ZINC001609272635 1193332754 /nfs/dbraw/zinc/33/27/54/1193332754.db2.gz VMXASPMJWRUCPT-HNNXBMFYSA-N -1 1 303.383 3.153 20 30 DGEDMM C=CCN(CCOC)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001609371626 1193335646 /nfs/dbraw/zinc/33/56/46/1193335646.db2.gz NLDOKOOESZCITD-UHFFFAOYSA-N -1 1 315.369 3.279 20 30 DGEDMM C=CCN(CCc1ccco1)Cc1cc(C(=O)[O-])c(CC)o1 ZINC001609371385 1193335667 /nfs/dbraw/zinc/33/56/67/1193335667.db2.gz AYCACIYYPIXNSK-UHFFFAOYSA-N -1 1 303.358 3.364 20 30 DGEDMM CC[N@@H+](Cc1cccc(C(=O)[O-])n1)[C@H](C)c1ccc(C#N)cc1 ZINC001610003203 1193371981 /nfs/dbraw/zinc/37/19/81/1193371981.db2.gz VWEGWXSBZJFXAK-CYBMUJFWSA-N -1 1 309.369 3.235 20 30 DGEDMM CCN(Cc1cccc(C(=O)[O-])n1)[C@H](C)c1ccc(C#N)cc1 ZINC001610003203 1193371983 /nfs/dbraw/zinc/37/19/83/1193371983.db2.gz 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182102643 /nfs/dbraw/zinc/10/26/43/182102643.db2.gz UCGALJCTVSFGOL-UHFFFAOYSA-N -1 1 322.773 3.043 20 30 DGEDMM CCOc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C ZINC000066588191 400100998 /nfs/dbraw/zinc/10/09/98/400100998.db2.gz QUIRDYORRLLMJV-UHFFFAOYSA-N -1 1 316.382 3.066 20 30 DGEDMM CC(C)CCN(CCC#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601037200 400209249 /nfs/dbraw/zinc/20/92/49/400209249.db2.gz RHJVDJBWTHUKGC-UHFFFAOYSA-N -1 1 308.809 3.376 20 30 DGEDMM CN(Cc1ccc(Cl)s1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589158336 400266374 /nfs/dbraw/zinc/26/63/74/400266374.db2.gz GSWBLNUOFUTZJU-UHFFFAOYSA-N -1 1 306.774 3.251 20 30 DGEDMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589180803 400270312 /nfs/dbraw/zinc/27/03/12/400270312.db2.gz IRHDQIUKMFZLPA-SFHVURJKSA-N -1 1 320.392 3.420 20 30 DGEDMM Cc1nn(-c2ccccc2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589199564 400275188 /nfs/dbraw/zinc/27/51/88/400275188.db2.gz PUSCYGMRLRVRPP-UHFFFAOYSA-N -1 1 318.336 3.010 20 30 DGEDMM CC1(C)CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H]1C#N ZINC000601532812 400306341 /nfs/dbraw/zinc/30/63/41/400306341.db2.gz DWBNGEBFWLBDIX-AWEZNQCLSA-N -1 1 306.793 3.129 20 30 DGEDMM Cc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C1CC1 ZINC000601948893 400385293 /nfs/dbraw/zinc/38/52/93/400385293.db2.gz NGIHNLREQAXFEZ-CYBMUJFWSA-N -1 1 307.275 3.326 20 30 DGEDMM CCSc1cccc(F)c1[N-]C(=O)c1cccc(C#N)n1 ZINC000589812651 400329798 /nfs/dbraw/zinc/32/97/98/400329798.db2.gz CNZYJLHXOXRHBF-UHFFFAOYSA-N -1 1 301.346 3.457 20 30 DGEDMM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589848526 400333956 /nfs/dbraw/zinc/33/39/56/400333956.db2.gz YYPPESXUBQCBQT-UHFFFAOYSA-N -1 1 318.336 3.215 20 30 DGEDMM CC(C)C[C@H](C)n1nccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589960105 400342168 /nfs/dbraw/zinc/34/21/68/400342168.db2.gz VIKRWDMHWAOIJI-LBPRGKRZSA-N -1 1 312.373 3.320 20 30 DGEDMM CC(C)C[C@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000611464699 400405895 /nfs/dbraw/zinc/40/58/95/400405895.db2.gz QCQGTJHLYABHJX-SNVBAGLBSA-N -1 1 300.280 3.079 20 30 DGEDMM CCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613448903 400723290 /nfs/dbraw/zinc/72/32/90/400723290.db2.gz FLRIFRJJUFUXSE-UHFFFAOYSA-N -1 1 300.289 3.054 20 30 DGEDMM CCOc1cc(C(=O)N2CCC[C@@H](CC#N)C2)cc(Cl)c1[O-] ZINC000597918061 400697531 /nfs/dbraw/zinc/69/75/31/400697531.db2.gz JCLLERLZRCURQD-NSHDSACASA-N -1 1 322.792 3.210 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc3ccccc3c2)c1 ZINC000614295456 400871838 /nfs/dbraw/zinc/87/18/38/400871838.db2.gz SGLSWFUTFFJPDW-UHFFFAOYSA-N -1 1 316.360 3.390 20 30 DGEDMM COc1ccc(CC[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614298363 400872040 /nfs/dbraw/zinc/87/20/40/400872040.db2.gz VBIKEWWLUNGTMJ-CYBMUJFWSA-N -1 1 324.380 3.024 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000614293515 400872377 /nfs/dbraw/zinc/87/23/77/400872377.db2.gz LUPRBKZXHPWKEE-UHFFFAOYSA-N -1 1 322.349 3.035 20 30 DGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)CCCO2 ZINC000598578583 400833834 /nfs/dbraw/zinc/83/38/34/400833834.db2.gz TUICBILCWXWKKM-GFCCVEGCSA-N -1 1 322.364 3.080 20 30 DGEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000182843054 400898912 /nfs/dbraw/zinc/89/89/12/400898912.db2.gz OZLYPCAQDBVBOG-CQSZACIVSA-N -1 1 303.321 3.256 20 30 DGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000063878731 401222523 /nfs/dbraw/zinc/22/25/23/401222523.db2.gz XDKNUUWXCBJGDU-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1cccc(F)c1 ZINC000634662888 401326993 /nfs/dbraw/zinc/32/69/93/401326993.db2.gz UWWMXNMIMRWFOW-UHFFFAOYSA-N -1 1 323.393 3.232 20 30 DGEDMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000226136714 165384393 /nfs/dbraw/zinc/38/43/93/165384393.db2.gz GWWRGBHATDPKTP-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM N#CC(=C([O-])c1cccc([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190967378 432207459 /nfs/dbraw/zinc/20/74/59/432207459.db2.gz SMJQLFINVZCOOA-ZDUSSCGKSA-N -1 1 318.292 3.028 20 30 DGEDMM N#C[C@H](NC(=O)c1ncccc1[O-])c1cccc(Cl)c1Cl ZINC000153792526 227090922 /nfs/dbraw/zinc/09/09/22/227090922.db2.gz QIFJLWFEAUHTPP-JTQLQIEISA-N -1 1 322.151 3.089 20 30 DGEDMM CSc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000355858740 229321132 /nfs/dbraw/zinc/32/11/32/229321132.db2.gz ASSFFSKPDXOOMH-UHFFFAOYSA-N -1 1 318.423 3.275 20 30 DGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)cc1[O-] ZINC000190074260 268036425 /nfs/dbraw/zinc/03/64/25/268036425.db2.gz RNMWDPHJELEIRR-INIZCTEOSA-N -1 1 306.365 3.114 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc(C)c1F ZINC000172892485 432244234 /nfs/dbraw/zinc/24/42/34/432244234.db2.gz VNQJQEWTNAUAJU-UHFFFAOYSA-N -1 1 322.336 3.254 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1 ZINC000614297128 430577313 /nfs/dbraw/zinc/57/73/13/430577313.db2.gz PTVHGLAPXXCTBJ-UHFFFAOYSA-N -1 1 324.384 3.362 20 30 DGEDMM CCc1cc(=O)[nH]c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000119058096 431640601 /nfs/dbraw/zinc/64/06/01/431640601.db2.gz GGBOPPRESXDHLS-UHFFFAOYSA-N -1 1 310.401 3.027 20 30 DGEDMM CCCOc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000032599822 431785388 /nfs/dbraw/zinc/78/53/88/431785388.db2.gz XKYPPRDUOMKHPQ-UHFFFAOYSA-N -1 1 316.382 3.148 20 30 DGEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193361962 432468650 /nfs/dbraw/zinc/46/86/50/432468650.db2.gz FEEVYCBLPQCMNF-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188015578 432698582 /nfs/dbraw/zinc/69/85/82/432698582.db2.gz PGBJZVRSTSDHQQ-UHFFFAOYSA-N -1 1 319.364 3.026 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1C#N ZINC000235894692 432746780 /nfs/dbraw/zinc/74/67/80/432746780.db2.gz NPUCWYYSKGRJTH-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM COc1ccc([C@@H](C)CCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188538325 432729820 /nfs/dbraw/zinc/72/98/20/432729820.db2.gz MOLWBRXCDCJETD-ZDUSSCGKSA-N -1 1 324.380 3.196 20 30 DGEDMM Cc1cccc2c(CCNC(=O)c3ccc(C#N)c([O-])c3)c[nH]c21 ZINC000188528759 432730557 /nfs/dbraw/zinc/73/05/57/432730557.db2.gz RHALDKOIZLBGSE-UHFFFAOYSA-N -1 1 319.364 3.026 20 30 DGEDMM N#Cc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)cc1[O-] ZINC000188630104 432735855 /nfs/dbraw/zinc/73/58/55/432735855.db2.gz NXYWNNGRQZJLEH-UHFFFAOYSA-N -1 1 312.291 3.068 20 30 DGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000179027112 432796542 /nfs/dbraw/zinc/79/65/42/432796542.db2.gz CRJOYFAWTJWRIG-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CC1(F)F ZINC000296682648 432925347 /nfs/dbraw/zinc/92/53/47/432925347.db2.gz BNNOVUJDKDYRHE-SSDLBLMSSA-N -1 1 315.188 3.340 20 30 DGEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000290568416 433102582 /nfs/dbraw/zinc/10/25/82/433102582.db2.gz SYCMDWCFWNDHCU-GFCCVEGCSA-N -1 1 310.419 3.155 20 30 DGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000341923814 433360345 /nfs/dbraw/zinc/36/03/45/433360345.db2.gz DHROUIPYLUIHRC-UHFFFAOYSA-N -1 1 323.377 3.354 20 30 DGEDMM N#CC(=C([O-])c1cc(F)ccc1-c1ccoc1)c1ccncn1 ZINC000361792196 433390000 /nfs/dbraw/zinc/39/00/00/433390000.db2.gz KNRFCZDMONMEFM-HNNXBMFYSA-N -1 1 307.284 3.366 20 30 DGEDMM C=CCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCCC1 ZINC000448771520 433540596 /nfs/dbraw/zinc/54/05/96/433540596.db2.gz NYAACAVXDHPVMX-UHFFFAOYSA-N -1 1 302.300 3.289 20 30 DGEDMM N#CC(=C([O-])c1cncc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000362172626 433562790 /nfs/dbraw/zinc/56/27/90/433562790.db2.gz TWUDPLONMXZRRQ-LLVKDONJSA-N -1 1 309.222 3.125 20 30 DGEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C)c1 ZINC000427119765 433656118 /nfs/dbraw/zinc/65/61/18/433656118.db2.gz MMOCNUUCDQLQGI-UHFFFAOYSA-N -1 1 318.373 3.423 20 30 DGEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357477989 434035369 /nfs/dbraw/zinc/03/53/69/434035369.db2.gz WOMRKXPJTXOQFM-UHFFFAOYSA-N -1 1 322.386 3.220 20 30 DGEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc([O-])cc1F ZINC000436872945 434144905 /nfs/dbraw/zinc/14/49/05/434144905.db2.gz YCPNNOXJTIIYEK-UHFFFAOYSA-N -1 1 303.308 3.499 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2nc(C)co2)ccc1C ZINC000416955214 434261756 /nfs/dbraw/zinc/26/17/56/434261756.db2.gz LXKFMBDKMVGLIC-ZDUSSCGKSA-N -1 1 319.386 3.002 20 30 DGEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000437504861 434274468 /nfs/dbraw/zinc/27/44/68/434274468.db2.gz VUULBWQOVVLXHT-CRAIPNDOSA-N -1 1 311.381 3.256 20 30 DGEDMM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(C#N)s2)c(F)c1F ZINC000359429547 434419122 /nfs/dbraw/zinc/41/91/22/434419122.db2.gz SZYOFDUDBYERPU-UHFFFAOYSA-N -1 1 324.283 3.492 20 30 DGEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000438793361 434529185 /nfs/dbraw/zinc/52/91/85/434529185.db2.gz RTTIZDQCKFEFJT-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000557858919 435070398 /nfs/dbraw/zinc/07/03/98/435070398.db2.gz GYXAVRISYSMGQX-UHFFFAOYSA-N -1 1 306.387 3.041 20 30 DGEDMM CC(C)N(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000539625863 435560323 /nfs/dbraw/zinc/56/03/23/435560323.db2.gz KWYYCXCFQFWUOV-UHFFFAOYSA-N -1 1 300.280 3.175 20 30 DGEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000562235720 315001772 /nfs/dbraw/zinc/00/17/72/315001772.db2.gz WJKPRGPEOYVULU-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CCc1nc(SCc2ccc(C#N)cc2OC)[n-]c(=O)c1C ZINC000566021376 315305817 /nfs/dbraw/zinc/30/58/17/315305817.db2.gz WFNGCJADHGYKMZ-UHFFFAOYSA-N -1 1 315.398 3.226 20 30 DGEDMM C=CCOc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000357366363 336582685 /nfs/dbraw/zinc/58/26/85/336582685.db2.gz BNAUOXIIWSPKFP-UHFFFAOYSA-N -1 1 304.733 3.258 20 30 DGEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000120149712 337870754 /nfs/dbraw/zinc/87/07/54/337870754.db2.gz NCHIEHHUJJSGRU-UHFFFAOYSA-N -1 1 324.427 3.040 20 30 DGEDMM C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(CCC)cc(=O)[n-]1 ZINC000515178787 337981660 /nfs/dbraw/zinc/98/16/60/337981660.db2.gz IBVCWLLVUDGMAV-LBPRGKRZSA-N -1 1 323.462 3.040 20 30 DGEDMM Cc1cnc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)o1 ZINC000330706763 534631133 /nfs/dbraw/zinc/63/11/33/534631133.db2.gz MBEHQVXAEVTUJH-JTQLQIEISA-N -1 1 318.377 3.150 20 30 DGEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000352196706 526566547 /nfs/dbraw/zinc/56/65/47/526566547.db2.gz DDLOFAIXODLXMA-UHFFFAOYSA-N -1 1 306.365 3.482 20 30 DGEDMM CC(C)(C)c1nnc([N-]C(=O)c2ncc(C#N)cc2Cl)s1 ZINC000427925117 526892904 /nfs/dbraw/zinc/89/29/04/526892904.db2.gz MEBSUKFQYSFHLV-UHFFFAOYSA-N -1 1 321.793 3.008 20 30 DGEDMM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442859684 528139181 /nfs/dbraw/zinc/13/91/81/528139181.db2.gz QSMWGBJNVPTCOS-UHFFFAOYSA-N -1 1 312.344 3.455 20 30 DGEDMM CCOc1cc(C(=O)N[C@H](C#N)C(C)(C)C)cc(Cl)c1[O-] ZINC000358135270 528233534 /nfs/dbraw/zinc/23/35/34/528233534.db2.gz DVXVDIIPKFSRJY-GFCCVEGCSA-N -1 1 310.781 3.112 20 30 DGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccnn2CC(F)F)n1 ZINC000434561822 528240268 /nfs/dbraw/zinc/24/02/68/528240268.db2.gz PMBRNVVKEKYVLZ-VIFPVBQESA-N -1 1 324.356 3.218 20 30 DGEDMM CC(=O)c1cc(F)c([N-]C(=O)c2sccc2C#N)c(F)c1 ZINC000347154420 546582864 /nfs/dbraw/zinc/58/28/64/546582864.db2.gz QYBCBQKUCALUKP-UHFFFAOYSA-N -1 1 306.293 3.353 20 30 DGEDMM CC(C)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000676458190 548364333 /nfs/dbraw/zinc/36/43/33/548364333.db2.gz CUUHRTMXJFYIJG-CQSZACIVSA-N -1 1 323.400 3.013 20 30 DGEDMM [O-]c1ccc(C=NNc2ccc(F)cn2)cc1Br ZINC000731318623 574546895 /nfs/dbraw/zinc/54/68/95/574546895.db2.gz JNTJKSYEOLQHPM-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM CCCCCCCCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736447793 574752883 /nfs/dbraw/zinc/75/28/83/574752883.db2.gz HZOLCZCZRLCJLH-UHFFFAOYSA-N -1 1 317.393 3.169 20 30 DGEDMM CCCCCCCCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736447793 574752886 /nfs/dbraw/zinc/75/28/86/574752886.db2.gz HZOLCZCZRLCJLH-UHFFFAOYSA-N -1 1 317.393 3.169 20 30 DGEDMM CCN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@@H](C)C#N ZINC000737101825 574823745 /nfs/dbraw/zinc/82/37/45/574823745.db2.gz JNMYWIGTABDKOR-LBPRGKRZSA-N -1 1 312.369 3.225 20 30 DGEDMM CN(Cc1cn2ccccc2c1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737496058 574847759 /nfs/dbraw/zinc/84/77/59/574847759.db2.gz OPRYGSRXFJVWPY-SFHVURJKSA-N -1 1 319.364 3.069 20 30 DGEDMM Cc1oc(CN=Nc2cccc(C(F)(F)F)n2)cc1C(=O)[O-] ZINC000738969631 574888133 /nfs/dbraw/zinc/88/81/33/574888133.db2.gz NRSQIRJZSOEXMQ-UHFFFAOYSA-N -1 1 313.235 3.146 20 30 DGEDMM O=C([O-])CCOc1cccc(CN=Nc2cccc(F)c2F)c1 ZINC000743443290 575051709 /nfs/dbraw/zinc/05/17/09/575051709.db2.gz VJABKLIJVXSGAE-UHFFFAOYSA-N -1 1 320.295 3.264 20 30 DGEDMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(C#N)c1 ZINC000743812815 575064037 /nfs/dbraw/zinc/06/40/37/575064037.db2.gz FUWVHTZDEJRZPB-JTQLQIEISA-N -1 1 300.745 3.408 20 30 DGEDMM O=C([O-])CCOc1cccc(CN=Nc2ccccc2F)c1 ZINC000746683213 575470305 /nfs/dbraw/zinc/47/03/05/575470305.db2.gz UNMUYDCDUYRTHI-UHFFFAOYSA-N -1 1 302.305 3.125 20 30 DGEDMM O=[N+]([O-])c1ccc(C=NNc2nc3ccccc3s2)cc1[O-] ZINC000748133570 575562975 /nfs/dbraw/zinc/56/29/75/575562975.db2.gz ISJAFNATTRKOKM-UHFFFAOYSA-N -1 1 314.326 3.356 20 30 DGEDMM Cc1ccc(F)c(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794918786 601850834 /nfs/dbraw/zinc/85/08/34/601850834.db2.gz LFDVZYOBGBMBGA-LBPRGKRZSA-N -1 1 316.332 3.432 20 30 DGEDMM C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1O ZINC000033690570 620737081 /nfs/dbraw/zinc/73/70/81/620737081.db2.gz ROFGPQGVYHWMEQ-XFFZJAGNSA-N -1 1 307.396 3.458 20 30 DGEDMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000804782188 617668204 /nfs/dbraw/zinc/66/82/04/617668204.db2.gz NBYQFZQOQQCVDH-ACJLOTCBSA-N -1 1 306.365 3.487 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CCSc3ccc(Cl)cc32)n1 ZINC000017643724 618775641 /nfs/dbraw/zinc/77/56/41/618775641.db2.gz CCDDNYNUEMLMPC-UHFFFAOYSA-N -1 1 320.805 3.456 20 30 DGEDMM N#CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCCC1 ZINC000895828265 618834483 /nfs/dbraw/zinc/83/44/83/618834483.db2.gz FFURTAFEPIOQAK-UHFFFAOYSA-N -1 1 321.808 3.319 20 30 DGEDMM C=CCCCN(CC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000896755146 618954422 /nfs/dbraw/zinc/95/44/22/618954422.db2.gz QENZWTTXTAQYOQ-UHFFFAOYSA-N -1 1 312.360 3.211 20 30 DGEDMM Cn1ncc(C2CCC2)c1/C=C/C(=O)c1cc([O-])cc(F)c1 ZINC000899414688 619339439 /nfs/dbraw/zinc/33/94/39/619339439.db2.gz WRKLTPSLEQJGFR-AATRIKPKSA-N -1 1 300.333 3.428 20 30 DGEDMM O=C(N([O-])Cc1ccc(F)cc1)C(F)(F)c1ccc(F)cc1 ZINC000900094812 619404275 /nfs/dbraw/zinc/40/42/75/619404275.db2.gz SAGSPYATCSWYMX-UHFFFAOYSA-N -1 1 313.250 3.475 20 30 DGEDMM CC(C)CN(CCC#N)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900403122 619426518 /nfs/dbraw/zinc/42/65/18/619426518.db2.gz VNUXVIVMYIESRY-UHFFFAOYSA-N -1 1 315.348 3.091 20 30 DGEDMM O=C([C@H]1CCCCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378810 619492248 /nfs/dbraw/zinc/49/22/48/619492248.db2.gz QMULQWXXTGFFIN-GFCCVEGCSA-N -1 1 304.173 3.280 20 30 DGEDMM CCc1ccccc1OCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901379440 619492527 /nfs/dbraw/zinc/49/25/27/619492527.db2.gz ZGUAUNAGHDQCES-UHFFFAOYSA-N -1 1 303.333 3.185 20 30 DGEDMM COc1cc(C(=O)C=Cc2nc(C(C)C)c[nH]2)cc(OC)c1[O-] ZINC000901525797 619510995 /nfs/dbraw/zinc/51/09/95/619510995.db2.gz RTOMVXKCOWICOC-AATRIKPKSA-N -1 1 316.357 3.152 20 30 DGEDMM CC(C)(C)c1coc(CN=Nc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000905475742 619999958 /nfs/dbraw/zinc/99/99/58/619999958.db2.gz ITNKLNVYUBQPHK-UHFFFAOYSA-N -1 1 305.309 3.255 20 30 DGEDMM CC(C)c1ccc2c(c1)C(=N[N-]c1cncc(Cl)n1)C(=O)N2 ZINC000914560060 620541666 /nfs/dbraw/zinc/54/16/66/620541666.db2.gz PEOSYBKMVKXHER-UHFFFAOYSA-N -1 1 315.764 3.022 20 30 DGEDMM N#Cc1ccc(NN=Cc2ccc([O-])c(Br)c2)cc1 ZINC000915962197 620611625 /nfs/dbraw/zinc/61/16/25/620611625.db2.gz JWGPISPZFSPUEH-UHFFFAOYSA-N -1 1 316.158 3.472 20 30 DGEDMM CCOc1cc(C(=O)N[C@H](C#N)C2CCCC2)cc(Cl)c1[O-] ZINC000921538815 620904485 /nfs/dbraw/zinc/90/44/85/620904485.db2.gz YLLVOAFZTWVUKX-CYBMUJFWSA-N -1 1 322.792 3.256 20 30 DGEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1OC ZINC000103189149 621274500 /nfs/dbraw/zinc/27/45/00/621274500.db2.gz UNMDCZJXCNHMMA-ZZXKWVIFSA-N -1 1 300.310 3.011 20 30 DGEDMM N#Cc1ccc(S(=O)(=O)[N-]C(C2CCCC2)C2CCCC2)o1 ZINC000805006536 621393042 /nfs/dbraw/zinc/39/30/42/621393042.db2.gz VWSZWOSSFHZAHN-UHFFFAOYSA-N -1 1 322.430 3.179 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc(OCC#N)c2)c1 ZINC000757468986 621714321 /nfs/dbraw/zinc/71/43/21/621714321.db2.gz XOGNIZQVBYVVCX-ALCCZGGFSA-N -1 1 309.321 3.199 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccc(OCC#N)c2)c1 ZINC000757468988 621714535 /nfs/dbraw/zinc/71/45/35/621714535.db2.gz XOGNIZQVBYVVCX-FNORWQNLSA-N -1 1 309.321 3.199 20 30 DGEDMM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1 ZINC000757473734 621715421 /nfs/dbraw/zinc/71/54/21/621715421.db2.gz HFMJPUHHOXIQAM-JXMROGBWSA-N -1 1 312.321 3.142 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2nc(Cl)cs2)c1 ZINC000759083035 621823397 /nfs/dbraw/zinc/82/33/97/621823397.db2.gz GXOYVVNTWNYSGI-ONEGZZNKSA-N -1 1 309.730 3.096 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2nc(Cl)cs2)c1 ZINC000759083034 621823416 /nfs/dbraw/zinc/82/34/16/621823416.db2.gz GXOYVVNTWNYSGI-ARJAWSKDSA-N -1 1 309.730 3.096 20 30 DGEDMM Cn1nc2c(c1/C=C1\CCc3cc([O-])ccc3C1=O)CCCC2 ZINC000865218063 621874202 /nfs/dbraw/zinc/87/42/02/621874202.db2.gz OCFVHNBVIXBWOJ-ACCUITESSA-N -1 1 308.381 3.217 20 30 DGEDMM C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1cccc(C#N)c1[O-] ZINC000866334061 622095929 /nfs/dbraw/zinc/09/59/29/622095929.db2.gz QZVHUNIHTQTWHX-SWLSCSKDSA-N -1 1 321.380 3.040 20 30 DGEDMM C[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000866374207 622105806 /nfs/dbraw/zinc/10/58/06/622105806.db2.gz FLQZUYIXGVXBKX-YVEFUNNKSA-N -1 1 321.380 3.388 20 30 DGEDMM O=C([O-])c1ccc(NN=Cc2cnc(C3CCCC3)s2)nc1 ZINC000763367705 622141150 /nfs/dbraw/zinc/14/11/50/622141150.db2.gz GAVMXPSWCRZQQW-UHFFFAOYSA-N -1 1 316.386 3.340 20 30 DGEDMM [O-]c1c(F)cc(CN=Nc2ncnc3ccsc32)cc1F ZINC000764842180 622225587 /nfs/dbraw/zinc/22/55/87/622225587.db2.gz YVCPFEXAKUTGJP-UHFFFAOYSA-N -1 1 306.297 3.121 20 30 DGEDMM Cc1ccc(C#N)c(NCc2cccc(Br)c2[O-])n1 ZINC000764935270 622233947 /nfs/dbraw/zinc/23/39/47/622233947.db2.gz QLRKMFIKSKBFOS-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM O=C([O-])c1ccc2c(C=NNc3ccccc3Cl)n[nH]c2c1 ZINC000765547671 622272779 /nfs/dbraw/zinc/27/27/79/622272779.db2.gz DLPQHUOOHPEOPI-UHFFFAOYSA-N -1 1 314.732 3.361 20 30 DGEDMM C#CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000767204414 622383119 /nfs/dbraw/zinc/38/31/19/622383119.db2.gz RFIMXOYKSOTBSB-UHFFFAOYSA-N -1 1 305.683 3.073 20 30 DGEDMM C[C@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000769809644 622562594 /nfs/dbraw/zinc/56/25/94/622562594.db2.gz GKOJGNANUWNZEF-JTQLQIEISA-N -1 1 316.409 3.265 20 30 DGEDMM CC[C@H]1CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769811926 622563784 /nfs/dbraw/zinc/56/37/84/622563784.db2.gz FULHBKYKCMMNKK-JTQLQIEISA-N -1 1 316.409 3.265 20 30 DGEDMM Cn1cc(/C=C/C(=O)c2cccc([O-])c2F)c(C(C)(C)C)n1 ZINC000871672646 622663478 /nfs/dbraw/zinc/66/34/78/622663478.db2.gz TVPLSDGAHADEDI-CMDGGOBGSA-N -1 1 302.349 3.458 20 30 DGEDMM C#CCOc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000771221973 622728527 /nfs/dbraw/zinc/72/85/27/622728527.db2.gz MFEOROKSAKMRHN-UHFFFAOYSA-N -1 1 310.284 3.260 20 30 DGEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047040 625596147 /nfs/dbraw/zinc/59/61/47/625596147.db2.gz AQBIQWJWKPJORN-LLVKDONJSA-N -1 1 313.785 3.350 20 30 DGEDMM CC(C)C1N=NC(=S)N1N=Cc1c([O-])ccc(Cl)c1F ZINC000790147962 625609452 /nfs/dbraw/zinc/60/94/52/625609452.db2.gz DBTJEICYWVDBRH-UHFFFAOYSA-N -1 1 314.773 3.071 20 30 DGEDMM COc1c([O-])c(C=NNc2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000773060481 622974908 /nfs/dbraw/zinc/97/49/08/622974908.db2.gz ZABWKENKLJAZTF-UHFFFAOYSA-N -1 1 323.255 3.033 20 30 DGEDMM COc1cc(C=NNc2ccc(C(=O)[O-])cc2OC)ccc1C ZINC000773078110 622978655 /nfs/dbraw/zinc/97/86/55/622978655.db2.gz FXLRKSMNFQWPNE-UHFFFAOYSA-N -1 1 314.341 3.156 20 30 DGEDMM CCN(CC)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776326729 623411994 /nfs/dbraw/zinc/41/19/94/623411994.db2.gz ADIXAWUSLVEIAJ-UHFFFAOYSA-N -1 1 309.369 3.362 20 30 DGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccccc2CC)c1 ZINC000777625602 623549711 /nfs/dbraw/zinc/54/97/11/623549711.db2.gz LAJXVAOWWCLPQL-UHFFFAOYSA-N -1 1 315.394 3.062 20 30 DGEDMM O=C(/C=C\c1ccnn1-c1ccccc1)c1cc(O)ccc1[O-] ZINC000790601135 625676467 /nfs/dbraw/zinc/67/64/67/625676467.db2.gz QNLIXERGACSLBZ-VURMDHGXSA-N -1 1 306.321 3.180 20 30 DGEDMM CC(C[C@H](C)CC(C)C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000779772572 623799966 /nfs/dbraw/zinc/79/99/66/623799966.db2.gz JAFNCDAZGHEUGN-GFCCVEGCSA-N -1 1 321.446 3.173 20 30 DGEDMM COc1ccc(NN=Cc2ccc([O-])c(Br)c2)nc1 ZINC000780269749 623900563 /nfs/dbraw/zinc/90/05/63/623900563.db2.gz WMNRCDDXHNVGHV-UHFFFAOYSA-N -1 1 322.162 3.004 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780367796 623917370 /nfs/dbraw/zinc/91/73/70/623917370.db2.gz ZNTWCBXKKUBXEO-UHFFFAOYSA-N -1 1 307.321 3.406 20 30 DGEDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(C#N)cc1 ZINC000783266235 624333028 /nfs/dbraw/zinc/33/30/28/624333028.db2.gz XONMTSDHYLRIRK-SECBINFHSA-N -1 1 303.264 3.460 20 30 DGEDMM Cc1nn(C)c2ncc(/C=C\C(=O)c3c(C)cc(C)cc3[O-])cc12 ZINC000799896796 626334473 /nfs/dbraw/zinc/33/44/73/626334473.db2.gz ZEEXHSJSADJQKX-WAYWQWQTSA-N -1 1 321.380 3.495 20 30 DGEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(C)(C)C ZINC000807879964 626774667 /nfs/dbraw/zinc/77/46/67/626774667.db2.gz OKJGJQVYEGKAHC-LLVKDONJSA-N -1 1 301.283 3.221 20 30 DGEDMM COCCOCc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1 ZINC000809151773 626886822 /nfs/dbraw/zinc/88/68/22/626886822.db2.gz HLXWLOJMRPWTQV-WDZFZDKYSA-N -1 1 312.365 3.451 20 30 DGEDMM C=C(Cl)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000134856269 626888461 /nfs/dbraw/zinc/88/84/61/626888461.db2.gz NLGPBXCSQXINES-UHFFFAOYSA-N -1 1 300.594 3.024 20 30 DGEDMM C=C(C)[C@H](CC(=O)Nc1cc(F)c([O-])cc1Cl)OCC ZINC000885676313 627042559 /nfs/dbraw/zinc/04/25/59/627042559.db2.gz MNHDPMYBOFAQPD-ZDUSSCGKSA-N -1 1 301.745 3.495 20 30 DGEDMM N#Cc1ccc(C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000887703592 627309143 /nfs/dbraw/zinc/30/91/43/627309143.db2.gz YSFWEVPHVYWYTC-UHFFFAOYSA-N -1 1 324.355 3.423 20 30 DGEDMM [O-]c1cccc(C=NNC(=S)NC2CCCCC2)c1Cl ZINC000814716116 627586207 /nfs/dbraw/zinc/58/62/07/627586207.db2.gz ZENCFOTXWCOYIS-UHFFFAOYSA-N -1 1 311.838 3.176 20 30 DGEDMM COc1ccc(CCNN=Cc2cccc([O-])c2Cl)cc1 ZINC000814855186 627599007 /nfs/dbraw/zinc/59/90/07/627599007.db2.gz HSDXOJDXBWMSHS-UHFFFAOYSA-N -1 1 304.777 3.220 20 30 DGEDMM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cc(Cl)ccn1 ZINC000814898219 627604225 /nfs/dbraw/zinc/60/42/25/627604225.db2.gz LKSUMPXOUNHBPY-UHFFFAOYSA-N -1 1 303.749 3.496 20 30 DGEDMM CC(C)c1nccnc1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814916800 627607045 /nfs/dbraw/zinc/60/70/45/627607045.db2.gz MCUMWJFOPUPWEN-UHFFFAOYSA-N -1 1 318.764 3.398 20 30 DGEDMM CC[C@@H](Nc1cc(CCOC)ccn1)c1cccc(C#N)c1[O-] ZINC000926406809 627890571 /nfs/dbraw/zinc/89/05/71/627890571.db2.gz AJHKDOAVJLFTMF-MRXNPFEDSA-N -1 1 311.385 3.411 20 30 DGEDMM CC[C@@H](Nc1cccc2c1CCNC2=O)c1cccc(C#N)c1[O-] ZINC000926593388 627919731 /nfs/dbraw/zinc/91/97/31/627919731.db2.gz LQBUYWQIUQYUDW-MRXNPFEDSA-N -1 1 321.380 3.113 20 30 DGEDMM Cc1noc(C(C)C)c1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000928787722 628188802 /nfs/dbraw/zinc/18/88/02/628188802.db2.gz CYXRGIYZVDEGOR-UHFFFAOYSA-N -1 1 304.737 3.279 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC(C)(C)C2)o1 ZINC000820197510 628233642 /nfs/dbraw/zinc/23/36/42/628233642.db2.gz KNPGNTRZGDYSIL-UHFFFAOYSA-N -1 1 317.397 3.346 20 30 DGEDMM C=C[C@](C)(CC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840477932 628540664 /nfs/dbraw/zinc/54/06/64/628540664.db2.gz MKMGZBICNMZRPX-QGZVFWFLSA-N -1 1 302.326 3.144 20 30 DGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1[O-] ZINC000825492187 628767965 /nfs/dbraw/zinc/76/79/65/628767965.db2.gz ONFIEJRDCNSKMX-QWHCGFSZSA-N -1 1 324.302 3.138 20 30 DGEDMM C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)c(C)cc2O)n1 ZINC000825725879 628791305 /nfs/dbraw/zinc/79/13/05/628791305.db2.gz CENFVUDBYIIUJP-UHFFFAOYSA-N -1 1 317.820 3.206 20 30 DGEDMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000827718313 628985547 /nfs/dbraw/zinc/98/55/47/628985547.db2.gz QKTMGXSTTSAMRJ-HWPZZCPQSA-N -1 1 316.307 3.313 20 30 DGEDMM CC(C)(CCC#N)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833457001 629607287 /nfs/dbraw/zinc/60/72/87/629607287.db2.gz HCRJAIDEBSSESC-UHFFFAOYSA-N -1 1 324.808 3.262 20 30 DGEDMM CC(C)(CCC#N)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833457001 629607289 /nfs/dbraw/zinc/60/72/89/629607289.db2.gz HCRJAIDEBSSESC-UHFFFAOYSA-N -1 1 324.808 3.262 20 30 DGEDMM CC(C)(CCC#N)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833457001 629607291 /nfs/dbraw/zinc/60/72/91/629607291.db2.gz HCRJAIDEBSSESC-UHFFFAOYSA-N -1 1 324.808 3.262 20 30 DGEDMM C=C[C@H](CCC(=O)[O-])NCc1c(C)nn(CCCC)c1Cl ZINC000841810661 630467027 /nfs/dbraw/zinc/46/70/27/630467027.db2.gz KCNRLMKPQYTHGT-GFCCVEGCSA-N -1 1 313.829 3.154 20 30 DGEDMM COc1cc(C(=O)/C=C/c2ccnn2C(C)C)cc(OC)c1[O-] ZINC000843270968 630639726 /nfs/dbraw/zinc/63/97/26/630639726.db2.gz NISUEYUHBZTVDH-AATRIKPKSA-N -1 1 316.357 3.083 20 30 DGEDMM CCCCCCCCCS(=O)(=O)[N-]c1nc(SC)n[nH]1 ZINC000844827006 630919385 /nfs/dbraw/zinc/91/93/85/630919385.db2.gz YIYLIQDDLLRBJS-UHFFFAOYSA-N -1 1 320.484 3.019 20 30 DGEDMM COCCOc1cccc(/C=C2\Cc3cc([O-])ccc3C2=O)c1 ZINC000187230470 660975294 /nfs/dbraw/zinc/97/52/94/660975294.db2.gz BFUIKRJTYWOBHL-OQLLNIDSSA-N -1 1 310.349 3.240 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C\c2ncc(CN(C)C)s2)c([O-])c1 ZINC000794713225 661100873 /nfs/dbraw/zinc/10/08/73/661100873.db2.gz LLVYBJQXHRELBO-WAYWQWQTSA-N -1 1 316.426 3.423 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1c(F)ccc(O)c1F)O2 ZINC000794936866 661114773 /nfs/dbraw/zinc/11/47/73/661114773.db2.gz GEQAZCGQCLWJDW-AWNIVKPZSA-N -1 1 304.248 3.301 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccnn1-c1ccc(F)cc1 ZINC000794937552 661114845 /nfs/dbraw/zinc/11/48/45/661114845.db2.gz GTUQOQHWQQIFNL-MFOYZWKCSA-N -1 1 322.295 3.333 20 30 DGEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000794887327 661111803 /nfs/dbraw/zinc/11/18/03/661111803.db2.gz HKCJIXVRHUJKNG-UHFFFAOYSA-N -1 1 311.297 3.068 20 30 DGEDMM N#CCCN(Cc1ccco1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000176838147 655852357 /nfs/dbraw/zinc/85/23/57/655852357.db2.gz USPICAAAQHPMHF-UHFFFAOYSA-N -1 1 324.336 3.007 20 30 DGEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])c(OC)c1 ZINC000156662316 658932710 /nfs/dbraw/zinc/93/27/10/658932710.db2.gz HOMVMWKJDBDBSW-QPJJXVBHSA-N -1 1 300.310 3.011 20 30 DGEDMM COc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1OC ZINC000156664980 658933220 /nfs/dbraw/zinc/93/32/20/658933220.db2.gz LWPUJVKBDKHXOT-SOFGYWHQSA-N -1 1 300.310 3.011 20 30 DGEDMM CCN(CC)[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1 ZINC000179736921 659940187 /nfs/dbraw/zinc/94/01/87/659940187.db2.gz PZIJNXGWVQFKCO-GOSISDBHSA-N -1 1 323.396 3.285 20 30 DGEDMM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000931300330 661465363 /nfs/dbraw/zinc/46/53/63/661465363.db2.gz UCGMKOIIPRYLIV-CYBMUJFWSA-N -1 1 316.735 3.249 20 30 DGEDMM Cc1cc(C(F)(F)C(=O)[N-][C@H](C#N)CC(C)C)cnc1Cl ZINC000931573406 661490282 /nfs/dbraw/zinc/49/02/82/661490282.db2.gz MYZNTMCBUFGOGU-NSHDSACASA-N -1 1 315.751 3.190 20 30 DGEDMM C=C[C@@H](CC)CC(=O)NCc1cccc(Br)c1[O-] ZINC000935663507 661800492 /nfs/dbraw/zinc/80/04/92/661800492.db2.gz UPFANSWIKPZIIK-JTQLQIEISA-N -1 1 312.207 3.373 20 30 DGEDMM CCN(C)c1ccc(/C=C/C(=O)c2cc(OC)ccc2[O-])cn1 ZINC000191319809 662059355 /nfs/dbraw/zinc/05/93/55/662059355.db2.gz SYQFWLLOMFJXOW-VMPITWQZSA-N -1 1 312.369 3.148 20 30 DGEDMM Cc1nsc([N-]C(=O)c2cc(-c3ccccc3)on2)c1C#N ZINC001585892962 1192289043 /nfs/dbraw/zinc/28/90/43/1192289043.db2.gz VSPGEKSJSVKWIN-UHFFFAOYSA-N -1 1 310.338 3.231 20 30 DGEDMM CC(C)(C)C1CCN(N=Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001589103467 1192459087 /nfs/dbraw/zinc/45/90/87/1192459087.db2.gz RYLNBOQLRZCZJP-UHFFFAOYSA-N -1 1 318.450 3.020 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCCC[C@H]2C)o1 ZINC001590255469 1192499549 /nfs/dbraw/zinc/49/95/49/1192499549.db2.gz SXLHNAXCZHDOCI-SNVBAGLBSA-N -1 1 317.397 3.346 20 30 DGEDMM CCCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590592594 1192527876 /nfs/dbraw/zinc/52/78/76/1192527876.db2.gz ZPVKUOSUJHUWQF-UHFFFAOYSA-N -1 1 319.409 3.249 20 30 DGEDMM CCCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590592594 1192527879 /nfs/dbraw/zinc/52/78/79/1192527879.db2.gz ZPVKUOSUJHUWQF-UHFFFAOYSA-N -1 1 319.409 3.249 20 30 DGEDMM CCCCCCCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001590594052 1192529777 /nfs/dbraw/zinc/52/97/77/1192529777.db2.gz CEURNNVWNGHEDY-UHFFFAOYSA-N -1 1 317.418 3.214 20 30 DGEDMM CCCCCCCC(C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001590592962 1192530176 /nfs/dbraw/zinc/53/01/76/1192530176.db2.gz QGWJPQJOGFHPRT-UHFFFAOYSA-N -1 1 305.386 3.311 20 30 DGEDMM Cc1cc(C#N)cc(C)c1COc1cccc(F)c1-c1nnn[n-]1 ZINC001591905812 1192580343 /nfs/dbraw/zinc/58/03/43/1192580343.db2.gz IBCAEQMFQHYDOS-UHFFFAOYSA-N -1 1 323.331 3.073 20 30 DGEDMM Cc1cc(C#N)cc(C)c1COc1cccc(F)c1-c1nn[n-]n1 ZINC001591905812 1192580348 /nfs/dbraw/zinc/58/03/48/1192580348.db2.gz IBCAEQMFQHYDOS-UHFFFAOYSA-N -1 1 323.331 3.073 20 30 DGEDMM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC001592697446 1192625685 /nfs/dbraw/zinc/62/56/85/1192625685.db2.gz IFHOFMATOGFOCG-UHFFFAOYSA-N -1 1 317.761 3.277 20 30 DGEDMM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC001592697446 1192625688 /nfs/dbraw/zinc/62/56/88/1192625688.db2.gz IFHOFMATOGFOCG-UHFFFAOYSA-N -1 1 317.761 3.277 20 30 DGEDMM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1C1CC1 ZINC001592690245 1192626335 /nfs/dbraw/zinc/62/63/35/1192626335.db2.gz SKFZLABEFVKABU-UHFFFAOYSA-N -1 1 322.397 3.289 20 30 DGEDMM CC1(C#N)CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001597532066 1192737590 /nfs/dbraw/zinc/73/75/90/1192737590.db2.gz TXYDSYMZSPIBRY-UHFFFAOYSA-N -1 1 312.291 3.177 20 30 DGEDMM N#CC1(C(=O)[O-])CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001601053244 1192914237 /nfs/dbraw/zinc/91/42/37/1192914237.db2.gz SCBNAWMLTYQFSY-CQSZACIVSA-N -1 1 304.777 3.018 20 30 DGEDMM N#CC1(CNCc2ccnc3c(C(=O)[O-])cccc23)CCCCC1 ZINC001601055899 1192914589 /nfs/dbraw/zinc/91/45/89/1192914589.db2.gz GIAATNPKGVPQQC-UHFFFAOYSA-N -1 1 323.396 3.497 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1sccc1OC(F)F ZINC001344325660 1179414049 /nfs/dbraw/zinc/41/40/49/1179414049.db2.gz BCROKJDZOPKLOW-QMMMGPOBSA-N -1 1 311.313 3.056 20 30 DGEDMM O=C([O-])c1c(F)cccc1NN=Cc1ccc(-n2cccn2)cc1 ZINC001602230593 1192963939 /nfs/dbraw/zinc/96/39/39/1192963939.db2.gz MPXIUNQKSQIXKM-UHFFFAOYSA-N -1 1 324.315 3.156 20 30 DGEDMM COc1nc(C([O-])=C(C#N)c2cccc(F)n2)cc2ccccc21 ZINC001347106901 1179777875 /nfs/dbraw/zinc/77/78/75/1179777875.db2.gz JNXDGELNEGLMGW-ZDUSSCGKSA-N -1 1 321.311 3.268 20 30 DGEDMM CCCCCCCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604175694 1193058080 /nfs/dbraw/zinc/05/80/80/1193058080.db2.gz ASUCDTXALQVIHS-UHFFFAOYSA-N -1 1 315.425 3.307 20 30 DGEDMM CCCCCCCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604175694 1193058081 /nfs/dbraw/zinc/05/80/81/1193058081.db2.gz ASUCDTXALQVIHS-UHFFFAOYSA-N -1 1 315.425 3.307 20 30 DGEDMM C[C@](NCc1ccc(C#N)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001604350989 1193068054 /nfs/dbraw/zinc/06/80/54/1193068054.db2.gz TZRWQDMVVQBBAS-QGZVFWFLSA-N -1 1 314.772 3.301 20 30 DGEDMM N#Cc1c(F)cccc1SCC(=O)c1ccc([O-])c(O)c1 ZINC001473037333 1181208131 /nfs/dbraw/zinc/20/81/31/1181208131.db2.gz SHLGKNIDQSOOBJ-UHFFFAOYSA-N -1 1 303.314 3.084 20 30 DGEDMM Cc1cnc(SCc2cc(Cl)ccc2OCC#N)[n-]c1=O ZINC001365257206 1181683532 /nfs/dbraw/zinc/68/35/32/1181683532.db2.gz DEKGHPVCPFXZBZ-UHFFFAOYSA-N -1 1 321.789 3.339 20 30 DGEDMM Cc1nsc([N-]C(=O)c2ncoc2-c2ccccc2)c1C#N ZINC001436020137 1181862209 /nfs/dbraw/zinc/86/22/09/1181862209.db2.gz OYUXEIGEORMAQY-UHFFFAOYSA-N -1 1 310.338 3.231 20 30 DGEDMM CC(=O)c1cccc(NC(=O)c2[nH]c3ccccc3c2C#N)c1[O-] ZINC001450598939 1182252817 /nfs/dbraw/zinc/25/28/17/1182252817.db2.gz NPVJSTLFKBMRSN-UHFFFAOYSA-N -1 1 319.320 3.200 20 30 DGEDMM Cc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cc1C#N ZINC001455561834 1182375264 /nfs/dbraw/zinc/37/52/64/1182375264.db2.gz MMVQWHRGMXODFF-UHFFFAOYSA-N -1 1 317.348 3.051 20 30 DGEDMM O=C(c1ocnc1C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC001457991335 1182488783 /nfs/dbraw/zinc/48/87/83/1182488783.db2.gz DTCCQQMGFMWAQL-UHFFFAOYSA-N -1 1 320.654 3.378 20 30 DGEDMM C=C(CC)CSc1nc(C)c(CCC(=O)OCC)c(=O)[n-]1 ZINC001459252026 1182576909 /nfs/dbraw/zinc/57/69/09/1182576909.db2.gz SKHGWUPCWASNJD-UHFFFAOYSA-N -1 1 310.419 3.045 20 30 DGEDMM CCc1cnccc1C(C)N=Nc1cccc(F)c1C(=O)[O-] ZINC001605841395 1193178752 /nfs/dbraw/zinc/17/87/52/1193178752.db2.gz NXAFRFYMJRKHOZ-UHFFFAOYSA-N -1 1 301.321 3.317 20 30 DGEDMM C=CC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2[O-])C1 ZINC001462416934 1182949696 /nfs/dbraw/zinc/94/96/96/1182949696.db2.gz UEQKHWBIBLWCMX-NSHDSACASA-N -1 1 311.223 3.338 20 30 DGEDMM N#Cc1ccc(F)cc1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001606368967 1193199794 /nfs/dbraw/zinc/19/97/94/1193199794.db2.gz MGVZKEGHANMYDN-UHFFFAOYSA-N -1 1 315.308 3.168 20 30 DGEDMM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001468747175 1183354662 /nfs/dbraw/zinc/35/46/62/1183354662.db2.gz DBQMWIJSOAOFJQ-JTQLQIEISA-N -1 1 316.307 3.359 20 30 DGEDMM C#C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001470663737 1183503893 /nfs/dbraw/zinc/50/38/93/1183503893.db2.gz RCMBMNMCYPLVLW-HNNXBMFYSA-N -1 1 314.772 3.219 20 30 DGEDMM COc1ccc(OCC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001472619083 1183656400 /nfs/dbraw/zinc/65/64/00/1183656400.db2.gz VSNDNOJOBGFSJB-UHFFFAOYSA-N -1 1 321.760 3.145 20 30 DGEDMM Cc1ccc(CN(C)Cc2cc(C#N)cs2)cc1C(=O)[O-] ZINC001607777165 1193256296 /nfs/dbraw/zinc/25/62/96/1193256296.db2.gz DZWBMZBVMXOQOL-UHFFFAOYSA-N -1 1 300.383 3.258 20 30 DGEDMM CC[C@@H](c1ccc(Cl)cc1)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609940224 1193367382 /nfs/dbraw/zinc/36/73/82/1193367382.db2.gz ZUDWIDJICYCSLQ-AWEZNQCLSA-N -1 1 306.793 3.481 20 30 DGEDMM CCCO[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001609979314 1193370215 /nfs/dbraw/zinc/37/02/15/1193370215.db2.gz GOXLLVOWPPVBNO-OAHLLOKOSA-N -1 1 316.401 3.038 20 30 DGEDMM N#CC1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001610620325 1193401377 /nfs/dbraw/zinc/40/13/77/1193401377.db2.gz KZUNEBMVPBAERX-ZDUSSCGKSA-N -1 1 312.291 3.067 20 30 DGEDMM O=C([O-])c1ccc(Cl)c(/C=C/C(=O)c2ccc(O)cc2O)c1 ZINC001610830527 1193411570 /nfs/dbraw/zinc/41/15/70/1193411570.db2.gz OOADGSZHQRYAMF-QHHAFSJGSA-N -1 1 318.712 3.346 20 30 DGEDMM COc1ccc2cc(C([O-])=C(C#N)c3ccncn3)ccc2c1 ZINC001516766210 1186792534 /nfs/dbraw/zinc/79/25/34/1186792534.db2.gz GQUGVZBKCIYNTD-INIZCTEOSA-N -1 1 303.321 3.128 20 30 DGEDMM N#Cc1ccsc1[N-]C(=O)c1cnc(Br)s1 ZINC001521435651 1187023310 /nfs/dbraw/zinc/02/33/10/1187023310.db2.gz HVEFVDALYRIVCX-UHFFFAOYSA-N -1 1 314.189 3.091 20 30 DGEDMM Cc1nsc([N-]C(=O)c2ncsc2C(F)(F)F)c1C#N ZINC001524407500 1187240845 /nfs/dbraw/zinc/24/08/45/1187240845.db2.gz OAXZVEGCTVPYKF-UHFFFAOYSA-N -1 1 318.305 3.051 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc([O-])cn1)c1cccc(Cl)c1Cl ZINC001542970500 1188309992 /nfs/dbraw/zinc/30/99/92/1188309992.db2.gz QANFILGMPHWZAN-LBPRGKRZSA-N 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CC[C@@]1(C(=O)[O-])CCCN(CC#Cc2ccccc2Cl)C1 ZINC001589604372 949222288 /nfs/dbraw/zinc/22/22/88/949222288.db2.gz BFFOHHPEOURFDN-QGZVFWFLSA-N -1 1 305.805 3.268 20 30 DGEDMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC001589606406 949285973 /nfs/dbraw/zinc/28/59/73/949285973.db2.gz OCXPNDKTECPEOU-INIZCTEOSA-N -1 1 306.793 3.288 20 30 DGEDMM N#CC(C(=O)[C@H](C(=O)[O-])C1CCCC1)c1nccc2ccccc21 ZINC001594601215 956133217 /nfs/dbraw/zinc/13/32/17/956133217.db2.gz LPARJLPEXKKXBO-JKSUJKDBSA-N -1 1 322.364 3.302 20 30 DGEDMM N#Cc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594620506 956275608 /nfs/dbraw/zinc/27/56/08/956275608.db2.gz ISUUYEDSYOIRDA-DOTOQJQBSA-N -1 1 310.328 3.100 20 30 DGEDMM C=C[C@H]1CCCCN1Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588453190 958433561 /nfs/dbraw/zinc/43/35/61/958433561.db2.gz VHOGAYUWTKPOIN-CABCVRRESA-N -1 1 318.417 3.121 20 30 DGEDMM CC(C)(C)c1ccc(NN=Cc2ccc(C(=O)[O-])c(F)c2)nn1 ZINC001327680511 961177543 /nfs/dbraw/zinc/17/75/43/961177543.db2.gz 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1102213578 /nfs/dbraw/zinc/21/35/78/1102213578.db2.gz VQNGCTKDMLOHJW-UHFFFAOYSA-N -1 1 304.305 3.266 20 30 DGEDMM CC(C)(C)OC(=O)c1nc(F)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242566530 1102214473 /nfs/dbraw/zinc/21/44/73/1102214473.db2.gz DMYYTZWLXHCRJD-UHFFFAOYSA-N -1 1 314.316 3.420 20 30 DGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc(Cl)n1 ZINC001201294580 1102547422 /nfs/dbraw/zinc/54/74/22/1102547422.db2.gz AHWOPQYSFZRNHR-UHFFFAOYSA-N -1 1 321.789 3.024 20 30 DGEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201316096 1102552345 /nfs/dbraw/zinc/55/23/45/1102552345.db2.gz WYBTYFZOWWGGOU-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM N#CC1CCC(=Nc2ccc(Cl)cc2S(=O)(=O)[O-])CC1 ZINC001212862531 1103111358 /nfs/dbraw/zinc/11/13/58/1103111358.db2.gz MPCGGRGSQRWAJX-SECBINFHSA-N -1 1 312.778 3.206 20 30 DGEDMM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000720008186 1105058365 /nfs/dbraw/zinc/05/83/65/1105058365.db2.gz DHWWGPNZQHGCRI-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM 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N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000016123539 182035092 /nfs/dbraw/zinc/03/50/92/182035092.db2.gz JHDJZZDEYBKGMC-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000337536918 253135274 /nfs/dbraw/zinc/13/52/74/253135274.db2.gz HJMKMODDPLVETD-LLVKDONJSA-N -1 1 312.394 3.477 20 30 DGEDMM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000342776088 254047912 /nfs/dbraw/zinc/04/79/12/254047912.db2.gz GGMSPUMNETXFFA-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589180722 400270546 /nfs/dbraw/zinc/27/05/46/400270546.db2.gz FTBHLRSEPBUDFS-HXUWFJFHSA-N -1 1 320.392 3.458 20 30 DGEDMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589195949 400273188 /nfs/dbraw/zinc/27/31/88/400273188.db2.gz PXUBSMLJZRCFNB-SGTLLEGYSA-N -1 1 306.365 3.317 20 30 DGEDMM Cc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1Cl ZINC000589202999 400275312 /nfs/dbraw/zinc/27/53/12/400275312.db2.gz CSFSEEDSVAAWAN-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM CCc1c(-c2cccc(C(F)(F)F)c2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000601931465 400378850 /nfs/dbraw/zinc/37/88/50/400378850.db2.gz FKGVUJRBQFSKOU-GXFFZTMASA-N -1 1 323.318 3.438 20 30 DGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1Cl ZINC000032586031 400369563 /nfs/dbraw/zinc/36/95/63/400369563.db2.gz CSVOXWZUTRXWFY-UHFFFAOYSA-N -1 1 322.773 3.021 20 30 DGEDMM CCCn1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C1CC1 ZINC000590768968 400430662 /nfs/dbraw/zinc/43/06/62/400430662.db2.gz MERYWZYHLAERTB-UHFFFAOYSA-N -1 1 310.357 3.000 20 30 DGEDMM CC(C)[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)c2ccccc2N1 ZINC000618935267 400722300 /nfs/dbraw/zinc/72/23/00/400722300.db2.gz BWXQDYQXONFFMF-KRWDZBQOSA-N -1 1 321.380 3.361 20 30 DGEDMM COc1cccc(C2(NC(=O)c3cc([O-])cc(C#N)c3)CCC2)c1 ZINC000598425214 400812013 /nfs/dbraw/zinc/81/20/13/400812013.db2.gz IKGUBVCXPFSJEF-UHFFFAOYSA-N -1 1 322.364 3.082 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000614293103 400871229 /nfs/dbraw/zinc/87/12/29/400871229.db2.gz VTTGLVMCDFUZBY-UHFFFAOYSA-N -1 1 320.392 3.359 20 30 DGEDMM C=CCN(Cc1ccccc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297213 400872393 /nfs/dbraw/zinc/87/23/93/400872393.db2.gz XFWOBTUKFYWNTQ-UHFFFAOYSA-N -1 1 310.328 3.231 20 30 DGEDMM CC(C)(C)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F ZINC000614304828 400873144 /nfs/dbraw/zinc/87/31/44/400873144.db2.gz GPCBLLQUORXRLJ-GFCCVEGCSA-N -1 1 314.307 3.361 20 30 DGEDMM CCCOc1cc(F)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614300524 400873165 /nfs/dbraw/zinc/87/31/65/400873165.db2.gz JJDACYKAAKPNSW-UHFFFAOYSA-N -1 1 314.316 3.444 20 30 DGEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000614365427 400886137 /nfs/dbraw/zinc/88/61/37/400886137.db2.gz CUXQJXNBLVEZCA-CYBMUJFWSA-N -1 1 319.364 3.359 20 30 DGEDMM CCCCN(CC(F)(F)F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614365418 400886240 /nfs/dbraw/zinc/88/62/40/400886240.db2.gz BVYGIDOLZSDFRL-UHFFFAOYSA-N -1 1 300.280 3.068 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000619450737 400850550 /nfs/dbraw/zinc/85/05/50/400850550.db2.gz HRJFCIPVWIQTCE-QGZVFWFLSA-N -1 1 310.328 3.210 20 30 DGEDMM Cc1cccnc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000614370036 400887348 /nfs/dbraw/zinc/88/73/48/400887348.db2.gz XXKXTZJFEUQWAY-MRXNPFEDSA-N -1 1 309.369 3.094 20 30 DGEDMM CC(C)(CCc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000593900860 400920551 /nfs/dbraw/zinc/92/05/51/400920551.db2.gz HCHOCFRLQWNNJG-UHFFFAOYSA-N -1 1 308.381 3.405 20 30 DGEDMM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000081583720 401080585 /nfs/dbraw/zinc/08/05/85/401080585.db2.gz LVKSFQWAWGNKBI-VHSXEESVSA-N -1 1 321.262 3.087 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCc3cc(Cl)ccc3C2)cc1[O-] ZINC000191462834 165252484 /nfs/dbraw/zinc/25/24/84/165252484.db2.gz NVOCMIYLXFAGLA-UHFFFAOYSA-N -1 1 312.756 3.116 20 30 DGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000195452138 165371088 /nfs/dbraw/zinc/37/10/88/165371088.db2.gz XWFLGZVIZIYUEJ-UHFFFAOYSA-N -1 1 308.309 3.297 20 30 DGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC000225224361 165381271 /nfs/dbraw/zinc/38/12/71/165381271.db2.gz PDAOKUMHELGFHW-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Nc1ccccc1 ZINC000190552000 432170553 /nfs/dbraw/zinc/17/05/53/432170553.db2.gz KTEDNRMAQVELJT-KRWDZBQOSA-N -1 1 323.396 3.130 20 30 DGEDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1C#N ZINC000137212885 432173234 /nfs/dbraw/zinc/17/32/34/432173234.db2.gz RKCXIXRRIOOMBI-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#CC(=C([O-])c1cncc(-c2ccccc2)c1)c1ccncn1 ZINC000354466251 229295139 /nfs/dbraw/zinc/29/51/39/229295139.db2.gz MPFDBLDSLUTFLA-MRXNPFEDSA-N -1 1 300.321 3.029 20 30 DGEDMM N#CCCN(Cc1cccnc1)Cc1cccc([O-])c1Cl ZINC000350174253 229220217 /nfs/dbraw/zinc/22/02/17/229220217.db2.gz AKZGCNASCDDOIK-UHFFFAOYSA-N -1 1 301.777 3.356 20 30 DGEDMM N#CC(=C([O-])c1cc(Cl)ccc1OC(F)F)c1ccncn1 ZINC000354467818 229295998 /nfs/dbraw/zinc/29/59/98/229295998.db2.gz ODXYBJPSQFCLPI-JTQLQIEISA-N -1 1 323.686 3.221 20 30 DGEDMM Cc1c(C([O-])=C(C#N)c2ccncn2)cccc1-c1ccccn1 ZINC000354482483 229297439 /nfs/dbraw/zinc/29/74/39/229297439.db2.gz ZZLATUBBUWWYOW-INIZCTEOSA-N -1 1 314.348 3.337 20 30 DGEDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355846675 229319033 /nfs/dbraw/zinc/31/90/33/229319033.db2.gz TXCFZPTTWLWONM-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000355840123 229319406 /nfs/dbraw/zinc/31/94/06/229319406.db2.gz GLNUZOBNWUKGTF-UHFFFAOYSA-N -1 1 306.774 3.207 20 30 DGEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355864570 229320466 /nfs/dbraw/zinc/32/04/66/229320466.db2.gz IABSJULWARFFJH-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM Cc1nn(-c2ccccc2)cc1[N-]c1ncc([N+](=O)[O-])cc1C#N ZINC000358269556 270004129 /nfs/dbraw/zinc/00/41/29/270004129.db2.gz NVHGOHSMDAMAIO-UHFFFAOYSA-N -1 1 320.312 3.099 20 30 DGEDMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007409011 431345508 /nfs/dbraw/zinc/34/55/08/431345508.db2.gz NVXAZSVVUWBPQM-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc(C)c1F ZINC000078234938 431650286 /nfs/dbraw/zinc/65/02/86/431650286.db2.gz CIPALJDDKKLUET-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000193487194 432475571 /nfs/dbraw/zinc/47/55/71/432475571.db2.gz IXLUHWHHXOMJCA-UHFFFAOYSA-N -1 1 322.773 3.021 20 30 DGEDMM CCOc1cc(C(=O)N(CC#N)C2CCCC2)cc(Cl)c1[O-] ZINC000186824101 432632164 /nfs/dbraw/zinc/63/21/64/432632164.db2.gz FXONFHYBUGOXQI-UHFFFAOYSA-N -1 1 322.792 3.353 20 30 DGEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)Cc1ccsc1 ZINC000188888335 432750202 /nfs/dbraw/zinc/75/02/02/432750202.db2.gz HKZYKUCWXJAIFY-LBPRGKRZSA-N -1 1 314.410 3.419 20 30 DGEDMM N#Cc1ccc(C(=O)NCC2(Cc3ccccc3)CC2)cc1[O-] ZINC000188953970 432754843 /nfs/dbraw/zinc/75/48/43/432754843.db2.gz PKJBLOXNIBDZGJ-UHFFFAOYSA-N -1 1 306.365 3.017 20 30 DGEDMM Cc1cccnc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000188554937 432731797 /nfs/dbraw/zinc/73/17/97/432731797.db2.gz WRKBZYURUDRCAY-MRXNPFEDSA-N -1 1 309.369 3.094 20 30 DGEDMM CSc1cc(C)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188729163 432742437 /nfs/dbraw/zinc/74/24/37/432742437.db2.gz PNBOGDBSZOFETB-UHFFFAOYSA-N -1 1 312.394 3.224 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)ccc1C#N ZINC000235899837 432745617 /nfs/dbraw/zinc/74/56/17/432745617.db2.gz KMSXWGFOXAOHQK-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM N#Cc1cc(NC(=O)c2ccccc2[O-])ccc1OC(F)(F)F ZINC000436520297 433989966 /nfs/dbraw/zinc/98/99/66/433989966.db2.gz FBRIOLWAUUNACT-UHFFFAOYSA-N -1 1 322.242 3.415 20 30 DGEDMM CNc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000352636402 434046757 /nfs/dbraw/zinc/04/67/57/434046757.db2.gz GMBCGJIIJLVWHJ-UHFFFAOYSA-N -1 1 301.733 3.211 20 30 DGEDMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(C#N)cc1 ZINC000436720114 434081647 /nfs/dbraw/zinc/08/16/47/434081647.db2.gz DMLCVVOICXWHQL-JTQLQIEISA-N -1 1 300.745 3.408 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000314328832 434141640 /nfs/dbraw/zinc/14/16/40/434141640.db2.gz FVFAFXPSSHXMBR-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OCCC(C)C)c1 ZINC000416938843 434259552 /nfs/dbraw/zinc/25/95/52/434259552.db2.gz LUYRSVCREYJJJR-HNNXBMFYSA-N -1 1 310.419 3.155 20 30 DGEDMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443288016 434775013 /nfs/dbraw/zinc/77/50/13/434775013.db2.gz SSGUHRMDLBNHEI-ZMZPIMSZSA-N -1 1 324.355 3.456 20 30 DGEDMM CCOc1cc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000453171827 434822519 /nfs/dbraw/zinc/82/25/19/434822519.db2.gz WUZGJDZPJNBDIZ-AYVTZFPOSA-N -1 1 319.748 3.295 20 30 DGEDMM CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553435330 434890735 /nfs/dbraw/zinc/89/07/35/434890735.db2.gz SSCXVQHUGPJGKC-QWHCGFSZSA-N -1 1 310.419 3.034 20 30 DGEDMM CC(C)Oc1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000527489728 435012970 /nfs/dbraw/zinc/01/29/70/435012970.db2.gz CPNYXURUSGDGPJ-UHFFFAOYSA-N -1 1 324.380 3.024 20 30 DGEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000465492686 435031667 /nfs/dbraw/zinc/03/16/67/435031667.db2.gz NPBUZMKVDVNVTF-ZCFIWIBFSA-N -1 1 314.621 3.500 20 30 DGEDMM CC(C)(C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000574639736 434992959 /nfs/dbraw/zinc/99/29/59/434992959.db2.gz WVZPUKLJTAEYFY-UHFFFAOYSA-N -1 1 314.819 3.135 20 30 DGEDMM C=C1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000574762961 435002230 /nfs/dbraw/zinc/00/22/30/435002230.db2.gz BVETUWGAXCLXFY-CYBMUJFWSA-N -1 1 310.191 3.227 20 30 DGEDMM C=CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000657077615 436079516 /nfs/dbraw/zinc/07/95/16/436079516.db2.gz WHRKIFANPGGBEZ-UHFFFAOYSA-N -1 1 313.728 3.213 20 30 DGEDMM C=CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1 ZINC000647742033 436114803 /nfs/dbraw/zinc/11/48/03/436114803.db2.gz XRSNQODVLLRQAB-UHFFFAOYSA-N -1 1 310.353 3.183 20 30 DGEDMM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)n21 ZINC000651270071 436158704 /nfs/dbraw/zinc/15/87/04/436158704.db2.gz QVOGWMLOPDMRDT-NEPJUHHUSA-N -1 1 320.352 3.412 20 30 DGEDMM C=CCC1(C(=O)Nc2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000451461320 338735481 /nfs/dbraw/zinc/73/54/81/338735481.db2.gz TXZRCCRSKCFPNN-UHFFFAOYSA-N -1 1 303.358 3.254 20 30 DGEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3C)n2)cc1 ZINC000356679090 534200854 /nfs/dbraw/zinc/20/08/54/534200854.db2.gz IGDIDFKKTMVQBN-ZDUSSCGKSA-N -1 1 322.393 3.342 20 30 DGEDMM CC(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000340969807 527352542 /nfs/dbraw/zinc/35/25/42/527352542.db2.gz NQKDIIDTOHEUFR-CQSZACIVSA-N -1 1 303.321 3.256 20 30 DGEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C#N)c(C)c2)[n-]c1=O ZINC000432698459 528285267 /nfs/dbraw/zinc/28/52/67/528285267.db2.gz UZAHNIDAXJBXPM-WQLSENKSSA-N -1 1 323.352 3.100 20 30 DGEDMM CCCCN(CC(F)(F)F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442661706 528377667 /nfs/dbraw/zinc/37/76/67/528377667.db2.gz UNKYLOHBFCAMNC-UHFFFAOYSA-N -1 1 300.280 3.068 20 30 DGEDMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCO1 ZINC000331265433 528393116 /nfs/dbraw/zinc/39/31/16/528393116.db2.gz HJXKIOMSTANEMC-LSDHHAIUSA-N -1 1 302.374 3.162 20 30 DGEDMM Cc1scc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1C ZINC000180742780 546149122 /nfs/dbraw/zinc/14/91/22/546149122.db2.gz IPSJDFJAYQDSNW-GFCCVEGCSA-N -1 1 314.414 3.173 20 30 DGEDMM CCCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000679760782 548948593 /nfs/dbraw/zinc/94/85/93/548948593.db2.gz ZIJCBYLAJMSGFD-OAHLLOKOSA-N -1 1 304.353 3.331 20 30 DGEDMM N#CCOc1ccc(Cl)cc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000739087969 574891195 /nfs/dbraw/zinc/89/11/95/574891195.db2.gz ONVFRPAEGMZLNW-AWEZNQCLSA-N -1 1 322.792 3.072 20 30 DGEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000739119156 574892858 /nfs/dbraw/zinc/89/28/58/574892858.db2.gz YRQOWPSXOFWQSV-HNNXBMFYSA-N -1 1 318.735 3.266 20 30 DGEDMM Cc1cccn2c(/C=C3/Oc4cc([O-])cc(C)c4C3=O)cnc12 ZINC000741466849 574958700 /nfs/dbraw/zinc/95/87/00/574958700.db2.gz AMDAAQBCPOHGBA-VIZOYTHASA-N -1 1 306.321 3.273 20 30 DGEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000743679294 575060699 /nfs/dbraw/zinc/06/06/99/575060699.db2.gz PRVLJUFRCPRLGI-UHFFFAOYSA-N -1 1 317.747 3.460 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-c3cnn(C)c3)c2)n1 ZINC000744010781 575068371 /nfs/dbraw/zinc/06/83/71/575068371.db2.gz OXYBBMKCJBVOQV-OAHLLOKOSA-N -1 1 322.393 3.342 20 30 DGEDMM Cc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000744028679 575069206 /nfs/dbraw/zinc/06/92/06/575069206.db2.gz NJLGOLWREJXZSW-SECBINFHSA-N -1 1 319.773 3.066 20 30 DGEDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(CC#N)c2)c1 ZINC000744788299 575357652 /nfs/dbraw/zinc/35/76/52/575357652.db2.gz KAHLIXAXZCJRIT-UHFFFAOYSA-N -1 1 323.348 3.060 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748640947 575599478 /nfs/dbraw/zinc/59/94/78/575599478.db2.gz PPJWRSYIBLMLTO-UHFFFAOYSA-N -1 1 311.406 3.348 20 30 DGEDMM C[C@H](C#N)Oc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000727684548 576139029 /nfs/dbraw/zinc/13/90/29/576139029.db2.gz ZUZRFTFLKMQUAD-GFCCVEGCSA-N -1 1 309.325 3.122 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC000916907395 620649958 /nfs/dbraw/zinc/64/99/58/620649958.db2.gz AFUZFVQZTYCBRL-SNVBAGLBSA-N -1 1 302.717 3.203 20 30 DGEDMM C[C@H](Oc1ccc(CN=Nc2ccccc2F)cc1)C(=O)[O-] ZINC000794888391 602071326 /nfs/dbraw/zinc/07/13/26/602071326.db2.gz NBIFPGSBBXNUGB-NSHDSACASA-N -1 1 302.305 3.124 20 30 DGEDMM N#Cc1ccnc(NCc2cccc(Br)c2[O-])c1 ZINC000804654615 617604454 /nfs/dbraw/zinc/60/44/54/617604454.db2.gz UXYNIIPFCIYKSM-UHFFFAOYSA-N -1 1 304.147 3.033 20 30 DGEDMM C#CCSCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000896203632 618884456 /nfs/dbraw/zinc/88/44/56/618884456.db2.gz FBCVGLMSDQAAIS-UHFFFAOYSA-N -1 1 324.789 3.361 20 30 DGEDMM COC(=O)c1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1 ZINC000207933828 619035527 /nfs/dbraw/zinc/03/55/27/619035527.db2.gz OKKQKUNEYJDQET-GDNBJRDFSA-N -1 1 308.333 3.391 20 30 DGEDMM N#Cc1ccc(-n2[n-]c(CC3CC3)cc2=O)cc1C(F)(F)F ZINC000899350120 619328619 /nfs/dbraw/zinc/32/86/19/619328619.db2.gz UYEHJEYATNWEHF-UHFFFAOYSA-N -1 1 307.275 3.470 20 30 DGEDMM O=C(/C=C\c1ccnn1CC1CCC1)c1cc([O-])cc(F)c1 ZINC000899412536 619338653 /nfs/dbraw/zinc/33/86/53/619338653.db2.gz JNGPTFJIIOLYKA-PLNGDYQASA-N -1 1 300.333 3.424 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cnn(CC2CCC2)c1 ZINC000899426549 619340917 /nfs/dbraw/zinc/34/09/17/619340917.db2.gz SACOVSWIOOGMDW-XQRVVYSFSA-N -1 1 300.333 3.424 20 30 DGEDMM C[N@H+]1CCCC[C@H]1C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000900096755 619404431 /nfs/dbraw/zinc/40/44/31/619404431.db2.gz OITPROUJQSLEQZ-ZDUSSCGKSA-N -1 1 317.216 3.196 20 30 DGEDMM C[C@@H]1CC(NN=Cc2c([O-])ccc(Cl)c2F)C[C@@H](C)O1 ZINC000901307605 619483657 /nfs/dbraw/zinc/48/36/57/619483657.db2.gz NOMOWVWMYPDATK-RKDXNWHRSA-N -1 1 300.761 3.064 20 30 DGEDMM C[C@@H](OCc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374816 619491784 /nfs/dbraw/zinc/49/17/84/619491784.db2.gz SMVOQEAFNSTLNL-CYBMUJFWSA-N -1 1 303.333 3.149 20 30 DGEDMM C[C@H](Oc1ccccc1F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376610 619492382 /nfs/dbraw/zinc/49/23/82/619492382.db2.gz VXFMXTMSXIYKPL-NSHDSACASA-N -1 1 307.296 3.150 20 30 DGEDMM CCOc1ccc(OCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901379328 619492802 /nfs/dbraw/zinc/49/28/02/619492802.db2.gz USONEPSQRLCCHA-UHFFFAOYSA-N -1 1 319.332 3.021 20 30 DGEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000908633838 620213541 /nfs/dbraw/zinc/21/35/41/620213541.db2.gz DHVACRRRMSYTRE-AWEZNQCLSA-N -1 1 321.804 3.114 20 30 DGEDMM C=CCCO[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908716658 620221132 /nfs/dbraw/zinc/22/11/32/620221132.db2.gz KILFLFQAWNVFON-VIFPVBQESA-N -1 1 314.179 3.074 20 30 DGEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c2ccccc12 ZINC000915931837 620608127 /nfs/dbraw/zinc/60/81/27/620608127.db2.gz IKMMIPWCRPDYDD-UHFFFAOYSA-N -1 1 308.341 3.098 20 30 DGEDMM Cc1cc(C)nc(N=NCc2cccc(Br)c2[O-])n1 ZINC000915932127 620608146 /nfs/dbraw/zinc/60/81/46/620608146.db2.gz LMJUYAZZIIACSF-UHFFFAOYSA-N -1 1 321.178 3.008 20 30 DGEDMM Cc1cc(NN=Cc2cccc(Br)c2[O-])nc(C)n1 ZINC000915970765 620609866 /nfs/dbraw/zinc/60/98/66/620609866.db2.gz MRCOCZTTZFUWTP-UHFFFAOYSA-N -1 1 321.178 3.008 20 30 DGEDMM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000112483893 620828192 /nfs/dbraw/zinc/82/81/92/620828192.db2.gz HNFIALNJYOTMOX-GFCCVEGCSA-N -1 1 314.366 3.271 20 30 DGEDMM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccco2)cc1Cl ZINC000921255847 620845188 /nfs/dbraw/zinc/84/51/88/620845188.db2.gz BGPFUYUGUIOWPV-UHFFFAOYSA-N -1 1 320.761 3.068 20 30 DGEDMM CCC[C@@H](C)C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755726680 621588480 /nfs/dbraw/zinc/58/84/80/621588480.db2.gz OTTMFWIJHKRJRC-SNVBAGLBSA-N -1 1 304.398 3.121 20 30 DGEDMM CC(C)c1cccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000863094497 621638480 /nfs/dbraw/zinc/63/84/80/621638480.db2.gz KXFHHNZVSDQJBP-UHFFFAOYSA-N -1 1 324.388 3.028 20 30 DGEDMM CC(N=Nc1nncc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000757450552 621712349 /nfs/dbraw/zinc/71/23/49/621712349.db2.gz DFNKWUUCMDBLOF-UHFFFAOYSA-N -1 1 314.295 3.450 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc(O)c2OC)c1 ZINC000757466907 621713857 /nfs/dbraw/zinc/71/38/57/621713857.db2.gz AMBYJZCRGOQBFJ-VURMDHGXSA-N -1 1 300.310 3.011 20 30 DGEDMM COc1ccc(C)cc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757471462 621714829 /nfs/dbraw/zinc/71/48/29/621714829.db2.gz CQZIEKZILVUOML-XQRVVYSFSA-N -1 1 312.321 3.304 20 30 DGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000805146358 621720207 /nfs/dbraw/zinc/72/02/07/621720207.db2.gz CKFLOJWCMNUGMM-NSHDSACASA-N -1 1 320.241 3.320 20 30 DGEDMM COc1cc2c(cc1/C=C\C(=O)c1cc(C)ccc1[O-])OCO2 ZINC000758929168 621811854 /nfs/dbraw/zinc/81/18/54/621811854.db2.gz BMOYHETYZMODHT-XQRVVYSFSA-N -1 1 312.321 3.334 20 30 DGEDMM Cn1nc2c(c1/C=C1/CCc3cc([O-])ccc3C1=O)CCCC2 ZINC000865218066 621874083 /nfs/dbraw/zinc/87/40/83/621874083.db2.gz OCFVHNBVIXBWOJ-QBFSEMIESA-N -1 1 308.381 3.217 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)ncn3C)c1 ZINC000761205413 621994147 /nfs/dbraw/zinc/99/41/47/621994147.db2.gz NDPCJVBQFOGWMK-QPJJXVBHSA-N -1 1 308.337 3.184 20 30 DGEDMM Cc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1C(=O)N(C)C ZINC000866334196 622095738 /nfs/dbraw/zinc/09/57/38/622095738.db2.gz UUCSEVAHHYYUKZ-CYBMUJFWSA-N -1 1 323.396 3.447 20 30 DGEDMM COc1ccsc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000764443890 622194265 /nfs/dbraw/zinc/19/42/65/622194265.db2.gz ZJFMIFFHVKYJNW-SNAWJCMRSA-N -1 1 304.323 3.057 20 30 DGEDMM CCC(=NNc1ccccc1C(=O)[O-])c1ccc(O)c(F)c1 ZINC000764668195 622211677 /nfs/dbraw/zinc/21/16/77/622211677.db2.gz XYLFNMMPCVZOMU-UHFFFAOYSA-N -1 1 302.305 3.456 20 30 DGEDMM CC(C)(C)OC1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000870492504 622475255 /nfs/dbraw/zinc/47/52/55/622475255.db2.gz RVDJPCZUOQELKB-UHFFFAOYSA-N -1 1 316.401 3.120 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000870693119 622497090 /nfs/dbraw/zinc/49/70/90/622497090.db2.gz YHPNCFUDXHXFQF-RYUDHWBXSA-N -1 1 312.291 3.337 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000870693120 622497310 /nfs/dbraw/zinc/49/73/10/622497310.db2.gz YHPNCFUDXHXFQF-VXGBXAGGSA-N -1 1 312.291 3.337 20 30 DGEDMM CC(C)=CCCC(C)=CC=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817617 622564207 /nfs/dbraw/zinc/56/42/07/622564207.db2.gz NLSRKVZJRBOMLN-LZVGRGQCSA-N -1 1 314.393 3.159 20 30 DGEDMM N#Cc1ccc([O-])c(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000770128706 622604160 /nfs/dbraw/zinc/60/41/60/622604160.db2.gz MWWGQEWRWYUFKV-UHFFFAOYSA-N -1 1 304.305 3.375 20 30 DGEDMM C=C(Br)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776467104 623433309 /nfs/dbraw/zinc/43/33/09/623433309.db2.gz OTVLGSMHBFAGJP-UHFFFAOYSA-N -1 1 324.096 3.049 20 30 DGEDMM N#CCc1ccccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000776971607 623480592 /nfs/dbraw/zinc/48/05/92/623480592.db2.gz FXFUHAWYEFDDRB-UHFFFAOYSA-N -1 1 300.745 3.293 20 30 DGEDMM CC1(C=NN=C2[N-]S(=O)(=O)c3ccccc32)CCCCCC1 ZINC000779771552 623800095 /nfs/dbraw/zinc/80/00/95/623800095.db2.gz AGJDNTIKFGFFJG-UHFFFAOYSA-N -1 1 319.430 3.071 20 30 DGEDMM COC(=O)c1cccc(NN=C(C)c2cc(F)cc(F)c2[O-])c1 ZINC000779826738 623816184 /nfs/dbraw/zinc/81/61/84/623816184.db2.gz BVHXHYLIXGVKKP-UHFFFAOYSA-N -1 1 320.295 3.293 20 30 DGEDMM COC(=O)c1cccc(NN=Cc2ccc([O-])c(Cl)c2)c1 ZINC000779827200 623816479 /nfs/dbraw/zinc/81/64/79/623816479.db2.gz YENANUFLCMYNDJ-UHFFFAOYSA-N -1 1 304.733 3.278 20 30 DGEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780371025 623918127 /nfs/dbraw/zinc/91/81/27/623918127.db2.gz QYIBKAZEYPTVFM-UHFFFAOYSA-N -1 1 322.336 3.491 20 30 DGEDMM C=C(Cl)C[C@@H](NCc1cccc([O-])c1Cl)C(=O)OCC ZINC000877671595 623985871 /nfs/dbraw/zinc/98/58/71/623985871.db2.gz LERNXEGMVXDQKA-LLVKDONJSA-N -1 1 318.200 3.210 20 30 DGEDMM N#CCCCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000805698471 624135239 /nfs/dbraw/zinc/13/52/39/624135239.db2.gz NIVKZFBDFGARQN-UHFFFAOYSA-N -1 1 315.325 3.016 20 30 DGEDMM CCc1cccc(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000788732531 625253195 /nfs/dbraw/zinc/25/31/95/625253195.db2.gz NOUICVJJFPSWOX-XITLMJRVSA-N -1 1 318.756 3.131 20 30 DGEDMM C=CCC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CCC1 ZINC000791557762 625824552 /nfs/dbraw/zinc/82/45/52/625824552.db2.gz WMVBMIWSLANKLI-UHFFFAOYSA-N -1 1 302.370 3.427 20 30 DGEDMM C=C(C)CS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F ZINC000882818750 625826121 /nfs/dbraw/zinc/82/61/21/625826121.db2.gz YQZUQAFSBRXORV-LLVKDONJSA-N -1 1 309.765 3.142 20 30 DGEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000797833761 626172727 /nfs/dbraw/zinc/17/27/27/626172727.db2.gz JKDWFDJUNIFHSW-SECBINFHSA-N -1 1 324.204 3.213 20 30 DGEDMM N#CCCCCOC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801362494 626402244 /nfs/dbraw/zinc/40/22/44/626402244.db2.gz QNRIUQKASKBANW-UHFFFAOYSA-N -1 1 319.748 3.082 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)c(F)cc2F)c(O)c1 ZINC000806561386 626721009 /nfs/dbraw/zinc/72/10/09/626721009.db2.gz UXEWYXARFWHVQE-RQOWECAXSA-N -1 1 322.238 3.404 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)c(F)cc2F)c(O)c1 ZINC000806561385 626721275 /nfs/dbraw/zinc/72/12/75/626721275.db2.gz UXEWYXARFWHVQE-DUXPYHPUSA-N -1 1 322.238 3.404 20 30 DGEDMM CC(C)(C)c1nc(C#N)c(N=NCc2ccc([O-])c(F)c2F)o1 ZINC000884424723 626878932 /nfs/dbraw/zinc/87/89/32/626878932.db2.gz ICCOZIMRUMRSDO-UHFFFAOYSA-N -1 1 320.299 3.274 20 30 DGEDMM N#Cc1ccc(C2CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000887703181 627309110 /nfs/dbraw/zinc/30/91/10/627309110.db2.gz HOGBZASXAIZEKK-UHFFFAOYSA-N -1 1 324.355 3.423 20 30 DGEDMM C=CCCCCCCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000811806074 627323427 /nfs/dbraw/zinc/32/34/27/627323427.db2.gz YMMQIUOXUQIOMX-UHFFFAOYSA-N -1 1 313.401 3.180 20 30 DGEDMM C#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000811949413 627339857 /nfs/dbraw/zinc/33/98/57/627339857.db2.gz WOTMIYULWRXYIT-ZDUSSCGKSA-N -1 1 303.720 3.289 20 30 DGEDMM C#CCO[N-]C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000812786910 627420253 /nfs/dbraw/zinc/42/02/53/627420253.db2.gz UDHWQRYJJCIXBL-UHFFFAOYSA-N -1 1 307.393 3.159 20 30 DGEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000814397058 627562604 /nfs/dbraw/zinc/56/26/04/627562604.db2.gz MKOASWUKRHGEQJ-UHFFFAOYSA-N -1 1 323.245 3.269 20 30 DGEDMM O=C1c2ccccc2CCN1N=Cc1cc(Cl)c(F)cc1[O-] ZINC000814893001 627603602 /nfs/dbraw/zinc/60/36/02/627603602.db2.gz ZGXUXIBSTJGMCX-UHFFFAOYSA-N -1 1 318.735 3.217 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000815881373 627709317 /nfs/dbraw/zinc/70/93/17/627709317.db2.gz LZKSQGQDZADISY-NSHDSACASA-N -1 1 323.261 3.066 20 30 DGEDMM CC[C@H](Nc1cccc2c1CN(C)C2=O)c1cccc(C#N)c1[O-] ZINC000926581920 627917321 /nfs/dbraw/zinc/91/73/21/627917321.db2.gz SPXRRQHDZJIZAP-INIZCTEOSA-N -1 1 321.380 3.413 20 30 DGEDMM CC(C)c1csc(C(C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820061947 628219428 /nfs/dbraw/zinc/21/94/28/628219428.db2.gz VBHWAXRTBXLROR-GFCCVEGCSA-N -1 1 314.366 3.455 20 30 DGEDMM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820577784 628273726 /nfs/dbraw/zinc/27/37/26/628273726.db2.gz VBWIMBHGJFBTPP-UKTHLTGXSA-N -1 1 322.393 3.486 20 30 DGEDMM CCCCCCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821048698 628331755 /nfs/dbraw/zinc/33/17/55/628331755.db2.gz GBLUMRPLIRWEEM-UHFFFAOYSA-N -1 1 317.393 3.056 20 30 DGEDMM CCCCCCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821048698 628331759 /nfs/dbraw/zinc/33/17/59/628331759.db2.gz GBLUMRPLIRWEEM-UHFFFAOYSA-N -1 1 317.393 3.056 20 30 DGEDMM N#C[C@H](C(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000821320529 628356044 /nfs/dbraw/zinc/35/60/44/628356044.db2.gz RBOHDOQGCZGSOA-GFCCVEGCSA-N -1 1 306.277 3.016 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1F ZINC000826400067 628851270 /nfs/dbraw/zinc/85/12/70/628851270.db2.gz OAUFFRHYHBYXHR-XQRVVYSFSA-N -1 1 318.308 3.103 20 30 DGEDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC000827716910 628985060 /nfs/dbraw/zinc/98/50/60/628985060.db2.gz BWOLLECPMXPVNO-QLJPJBMISA-N -1 1 316.307 3.313 20 30 DGEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)[C@@H]1C[C@@H]1C ZINC000841627067 630449514 /nfs/dbraw/zinc/44/95/14/630449514.db2.gz WQRMSKPKKYKMSH-VHSXEESVSA-N -1 1 316.409 3.121 20 30 DGEDMM CC1(C)CCCC[C@@H]1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844594477 630742016 /nfs/dbraw/zinc/74/20/16/630742016.db2.gz SWXLSMGLKUDGCF-INIZCTEOSA-N -1 1 312.417 3.258 20 30 DGEDMM C=C[C@@H](C)O[N-]C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000846550083 631258752 /nfs/dbraw/zinc/25/87/52/631258752.db2.gz RJRLBUOFPSEWRB-PRHODGIISA-N -1 1 304.173 3.039 20 30 DGEDMM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000849230396 631859668 /nfs/dbraw/zinc/85/96/68/631859668.db2.gz FUTREFYVVRGOGV-KRWDZBQOSA-N -1 1 324.355 3.296 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(C3CCC3)cnn2C)c1 ZINC000849247516 631864745 /nfs/dbraw/zinc/86/47/45/631864745.db2.gz UNTXFQITFCJBKZ-VQHVLOKHSA-N -1 1 312.369 3.298 20 30 DGEDMM C#CC[C@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000849344664 631896904 /nfs/dbraw/zinc/89/69/04/631896904.db2.gz QRACTYFFTIFPHX-AWEZNQCLSA-N -1 1 324.380 3.275 20 30 DGEDMM COCCOc1ccccc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000187221830 660970132 /nfs/dbraw/zinc/97/01/32/660970132.db2.gz NUXOEEBQPYCQMD-XNTDXEJSSA-N -1 1 310.349 3.240 20 30 DGEDMM CC(N=Nc1ncncc1F)c1cc(Cl)c(Cl)cc1[O-] ZINC000793211704 661013331 /nfs/dbraw/zinc/01/33/31/661013331.db2.gz ZNLNNZAJDWLRHO-UHFFFAOYSA-N -1 1 315.135 3.464 20 30 DGEDMM O=C1Nc2ccc(F)cc2C1=N[N-]c1nncc2ccccc21 ZINC000006287714 655538435 /nfs/dbraw/zinc/53/84/35/655538435.db2.gz XPCSEUDXTHMYPA-UHFFFAOYSA-N -1 1 307.288 3.187 20 30 DGEDMM Cc1cc(C(F)(F)C(=O)[N-][C@H](C#N)C(C)(C)C)cnc1Cl ZINC000934233295 655758049 /nfs/dbraw/zinc/75/80/49/655758049.db2.gz GBSPKOWBDHVGGY-SNVBAGLBSA-N -1 1 315.751 3.190 20 30 DGEDMM O=C(/C=C/c1nccn1-c1ccccc1)c1cc(O)ccc1[O-] ZINC000191319484 656167957 /nfs/dbraw/zinc/16/79/57/656167957.db2.gz RJRKNXKPQCUOCK-CMDGGOBGSA-N -1 1 306.321 3.180 20 30 DGEDMM Cc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172378763 659332904 /nfs/dbraw/zinc/33/29/04/659332904.db2.gz XNAUIZVYYDVJTE-NSHDSACASA-N -1 1 319.773 3.066 20 30 DGEDMM CCCc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000173966149 659406511 /nfs/dbraw/zinc/40/65/11/659406511.db2.gz LCVAKKDVIXDOEJ-GFCCVEGCSA-N -1 1 313.382 3.057 20 30 DGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000183110146 660102206 /nfs/dbraw/zinc/10/22/06/660102206.db2.gz AWFSBXYNSQVKJF-SNVBAGLBSA-N -1 1 300.289 3.074 20 30 DGEDMM Cc1cc(C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)C)cnc1Cl ZINC000931296968 661465128 /nfs/dbraw/zinc/46/51/28/661465128.db2.gz QFEPEVFRVVNQHW-ZDUSSCGKSA-N -1 1 315.751 3.190 20 30 DGEDMM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000931300331 661465420 /nfs/dbraw/zinc/46/54/20/661465420.db2.gz UCGMKOIIPRYLIV-ZDUSSCGKSA-N -1 1 316.735 3.249 20 30 DGEDMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C#N)CC(C)C)cnc1Cl ZINC000931573405 661490273 /nfs/dbraw/zinc/49/02/73/661490273.db2.gz MYZNTMCBUFGOGU-LLVKDONJSA-N -1 1 315.751 3.190 20 30 DGEDMM C=CC[C@H](CC)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932051542 661533477 /nfs/dbraw/zinc/53/34/77/661533477.db2.gz LGWUZSADLHHZIR-LBPRGKRZSA-N -1 1 300.362 3.054 20 30 DGEDMM CCOc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1OC ZINC000156654982 661864252 /nfs/dbraw/zinc/86/42/52/661864252.db2.gz SRRQNHGAZMNRPG-QPJJXVBHSA-N -1 1 314.337 3.401 20 30 DGEDMM C=CC[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077615381 662033978 /nfs/dbraw/zinc/03/39/78/662033978.db2.gz WCNBEGBEAGOSQO-LLVKDONJSA-N -1 1 320.389 3.434 20 30 DGEDMM C[C@H]1CC(=Cc2nc(-c3nnn[n-]3)cs2)C(=O)c2ccccc21 ZINC001590181227 1192492669 /nfs/dbraw/zinc/49/26/69/1192492669.db2.gz MVZRVLMLALITQN-HZAKCSEPSA-N -1 1 323.381 3.097 20 30 DGEDMM C[C@H]1CC(=Cc2nc(-c3nn[n-]n3)cs2)C(=O)c2ccccc21 ZINC001590181227 1192492672 /nfs/dbraw/zinc/49/26/72/1192492672.db2.gz MVZRVLMLALITQN-HZAKCSEPSA-N -1 1 323.381 3.097 20 30 DGEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)[C@H]1CC1(C)C ZINC001590358643 1192502095 /nfs/dbraw/zinc/50/20/95/1192502095.db2.gz ALYIEAOUMCDWPN-SECBINFHSA-N -1 1 317.397 3.202 20 30 DGEDMM CCCCC(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001590575201 1192524806 /nfs/dbraw/zinc/52/48/06/1192524806.db2.gz TVDQSVHYMONWBS-UHFFFAOYSA-N -1 1 305.386 3.130 20 30 DGEDMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000225037017 1176754722 /nfs/dbraw/zinc/75/47/22/1176754722.db2.gz FAOOIYVGRYKRCL-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1ccc(NN=Cc2cc(F)c(O)c(F)c2)cc1C(=O)[O-] ZINC001600463309 1192857042 /nfs/dbraw/zinc/85/70/42/1192857042.db2.gz QQQIHEKCQCKQIL-UHFFFAOYSA-N -1 1 306.268 3.123 20 30 DGEDMM N#Cc1cc(Cl)ccc1CN(CC(=O)[O-])Cc1ccccc1 ZINC001601086732 1192917331 /nfs/dbraw/zinc/91/73/31/1192917331.db2.gz GTBAWMYQINUDLH-UHFFFAOYSA-N -1 1 314.772 3.298 20 30 DGEDMM CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2cccc(F)n2)n1 ZINC001344061374 1179371804 /nfs/dbraw/zinc/37/18/04/1179371804.db2.gz DHKDSWNXQRAJKA-NSHDSACASA-N -1 1 313.332 3.283 20 30 DGEDMM O=C([O-])c1cccc(NN=C2CCCc3scnc32)c1F ZINC001602446643 1192980539 /nfs/dbraw/zinc/98/05/39/1192980539.db2.gz FHRXTRWTGQTSER-UHFFFAOYSA-N -1 1 305.334 3.133 20 30 DGEDMM C=CC[C@@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001602835825 1192999581 /nfs/dbraw/zinc/99/95/81/1192999581.db2.gz AMGUUJUTPVWJEH-ZDUSSCGKSA-N -1 1 300.185 3.381 20 30 DGEDMM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC001603826780 1193033756 /nfs/dbraw/zinc/03/37/56/1193033756.db2.gz MMFAEPBBWLQZFT-PGEKAQRJSA-N -1 1 308.366 3.312 20 30 DGEDMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)ncc1C#N ZINC001456615136 1182425360 /nfs/dbraw/zinc/42/53/60/1182425360.db2.gz ALQTYLRKKPOYCV-UHFFFAOYSA-N -1 1 305.696 3.012 20 30 DGEDMM Cc1cc(F)c(-c2nn[n-]n2)c(Sc2ccc(C#N)cc2)c1 ZINC001605674965 1193165021 /nfs/dbraw/zinc/16/50/21/1193165021.db2.gz NGZZBAFHFITDJR-UHFFFAOYSA-N -1 1 311.345 3.337 20 30 DGEDMM Cc1cc(SCc2ccc(-c3nn[n-]n3)s2)ccc1C#N ZINC001605755274 1193170220 /nfs/dbraw/zinc/17/02/20/1193170220.db2.gz PHULBKZVXUCVES-UHFFFAOYSA-N -1 1 313.411 3.401 20 30 DGEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(C#N)c(F)cc1F ZINC001462283676 1182933977 /nfs/dbraw/zinc/93/39/77/1182933977.db2.gz IEVPVRPBOHAMMZ-UHFFFAOYSA-N -1 1 313.210 3.323 20 30 DGEDMM O=C(C=Cc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606483666 1193199762 /nfs/dbraw/zinc/19/97/62/1193199762.db2.gz YYXDNWPRROQKND-ALCCZGGFSA-N -1 1 322.393 3.313 20 30 DGEDMM O=C(C=Cc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606483666 1193199763 /nfs/dbraw/zinc/19/97/63/1193199763.db2.gz YYXDNWPRROQKND-ALCCZGGFSA-N -1 1 322.393 3.313 20 30 DGEDMM N#Cc1cccc(OCC(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001472193345 1183625000 /nfs/dbraw/zinc/62/50/00/1183625000.db2.gz WQOTZFQLLVBKJE-UHFFFAOYSA-N -1 1 320.707 3.074 20 30 DGEDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(C)c1C#N ZINC001472317186 1183634637 /nfs/dbraw/zinc/63/46/37/1183634637.db2.gz YUKVSRUPWLBDQI-UHFFFAOYSA-N -1 1 314.772 3.464 20 30 DGEDMM N#Cc1cc(NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])s1 ZINC001472898743 1183698225 /nfs/dbraw/zinc/69/82/25/1183698225.db2.gz 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ZINC001610312303 1193381987 /nfs/dbraw/zinc/38/19/87/1193381987.db2.gz UHCLSDGTYGSCJK-GOSISDBHSA-N -1 1 324.380 3.099 20 30 DGEDMM Cc1csc(NC(=O)c2cnc3ccccc3c2[O-])c1C#N ZINC001525499151 1187319013 /nfs/dbraw/zinc/31/90/13/1187319013.db2.gz ZCXWGHJHOCTVMQ-UHFFFAOYSA-N -1 1 309.350 3.022 20 30 DGEDMM N#C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC001629249700 1194222705 /nfs/dbraw/zinc/22/27/05/1194222705.db2.gz UZNCRLGNGQBYHI-CYBMUJFWSA-N -1 1 304.708 3.179 20 30 DGEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc([O-])cc1F ZINC001631142520 1194321602 /nfs/dbraw/zinc/32/16/02/1194321602.db2.gz PXPDUTWNMAYTQH-UHFFFAOYSA-N -1 1 314.316 3.442 20 30 DGEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(O)c1[O-] ZINC001631141270 1194321614 /nfs/dbraw/zinc/32/16/14/1194321614.db2.gz JKKWXXPORVBMTF-UHFFFAOYSA-N -1 1 312.325 3.009 20 30 DGEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001631962714 1194363984 /nfs/dbraw/zinc/36/39/84/1194363984.db2.gz RZQSBGHFFJUMPG-UHFFFAOYSA-N -1 1 322.242 3.241 20 30 DGEDMM N#CCc1ccccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001633821837 1194457707 /nfs/dbraw/zinc/45/77/07/1194457707.db2.gz MYTPCDWQNCDQIJ-UHFFFAOYSA-N -1 1 300.745 3.042 20 30 DGEDMM N#CC[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001637227263 1194658044 /nfs/dbraw/zinc/65/80/44/1194658044.db2.gz UERJEMLAWACJBV-CQSZACIVSA-N -1 1 314.772 3.359 20 30 DGEDMM N#CC[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001638528025 1194723366 /nfs/dbraw/zinc/72/33/66/1194723366.db2.gz IZQWQOZRQDJSNZ-NSHDSACASA-N -1 1 302.280 3.306 20 30 DGEDMM CN(Cc1cc(C#N)cs1)C(=O)c1cc(Cl)ccc1[O-] ZINC001645691679 1195197894 /nfs/dbraw/zinc/19/78/94/1195197894.db2.gz KXQUNCYUNQECRZ-UHFFFAOYSA-N -1 1 306.774 3.251 20 30 DGEDMM COc1cc(C#N)ccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001648160652 1195280434 /nfs/dbraw/zinc/28/04/34/1195280434.db2.gz CNOXPGHDURSJIS-UHFFFAOYSA-N -1 1 320.707 3.317 20 30 DGEDMM C=CCn1ncc2ccc(NC(=O)c3cc(F)ccc3[O-])cc21 ZINC001652965027 1195675777 /nfs/dbraw/zinc/67/57/77/1195675777.db2.gz YBFFVGLYWBZXEY-UHFFFAOYSA-N 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C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000340931702 527569764 /nfs/dbraw/zinc/56/97/64/527569764.db2.gz WKLUQZXSMRZVPM-ZETCQYMHSA-N -1 1 313.728 3.212 20 30 DGEDMM C=CCOc1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000672057718 547848665 /nfs/dbraw/zinc/84/86/65/547848665.db2.gz CEKCEASBWPZGCQ-UHFFFAOYSA-N -1 1 301.317 3.026 20 30 DGEDMM N#CC(=C([O-])c1ccccc1Oc1cccnc1)c1ccncn1 ZINC000680618122 549076066 /nfs/dbraw/zinc/07/60/66/549076066.db2.gz MUFGOAQFYQJGAT-HNNXBMFYSA-N -1 1 316.320 3.154 20 30 DGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000730995989 574541050 /nfs/dbraw/zinc/54/10/50/574541050.db2.gz GJIPXOSICYAQAR-UHFFFAOYSA-N -1 1 315.394 3.116 20 30 DGEDMM O=C([O-])COc1cccc(CN=Nc2cccc(Cl)c2F)c1 ZINC000733203716 574607826 /nfs/dbraw/zinc/60/78/26/574607826.db2.gz XFGWKNQVOMFGGD-UHFFFAOYSA-N -1 1 322.723 3.389 20 30 DGEDMM O=C([O-])COc1ccccc1C=NNc1cc(F)c(F)cc1F ZINC000734302811 574655500 /nfs/dbraw/zinc/65/55/00/574655500.db2.gz PSQBAABCXAEWLO-UHFFFAOYSA-N -1 1 324.258 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OPRYGSRXFJVWPY-GOSISDBHSA-N -1 1 319.364 3.069 20 30 DGEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C ZINC000744516594 575347393 /nfs/dbraw/zinc/34/73/93/575347393.db2.gz OUTUVHKPTSVOEZ-UHFFFAOYSA-N -1 1 308.341 3.108 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)s2)cc1 ZINC000750684210 575745058 /nfs/dbraw/zinc/74/50/58/575745058.db2.gz NMDQPEUQEYASNP-CQSZACIVSA-N -1 1 323.377 3.143 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccc(F)c3)nc1-2 ZINC000750729845 575747843 /nfs/dbraw/zinc/74/78/43/575747843.db2.gz NEQCEYNPSNCVAA-VBROQKIQSA-N -1 1 320.327 3.295 20 30 DGEDMM C=C(C)CN(CC)C(=O)[C@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000751520545 575788448 /nfs/dbraw/zinc/78/84/48/575788448.db2.gz IQWQILCGXBESEW-HNNXBMFYSA-N -1 1 324.465 3.208 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc3c(c2)CCN3C)c1 ZINC000751535059 575789489 /nfs/dbraw/zinc/78/94/89/575789489.db2.gz LPKCLLXGPDEKES-DAXSKMNVSA-N -1 1 309.365 3.289 20 30 DGEDMM COC(=O)c1ccc([O-])c(C=NNc2cccc3cnccc32)c1 ZINC000728432475 576182113 /nfs/dbraw/zinc/18/21/13/576182113.db2.gz UKWXPODWRVCOKJ-UHFFFAOYSA-N -1 1 321.336 3.173 20 30 DGEDMM COc1cc(OC)c(/C=C\C(=O)c2ccc([O-])cc2)c(OC)c1 ZINC000214238972 620656578 /nfs/dbraw/zinc/65/65/78/620656578.db2.gz UJQJEKOZLIGAHH-HJWRWDBZSA-N -1 1 314.337 3.314 20 30 DGEDMM O=C(CC(F)(F)C(F)F)[N-][C@H](c1nccs1)C(F)(F)F ZINC000891182900 617742712 /nfs/dbraw/zinc/74/27/12/617742712.db2.gz HAPLNIQEZXGJCJ-RXMQYKEDSA-N -1 1 324.221 3.153 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(-c3ccsc3)n2)n1 ZINC000920359036 620797183 /nfs/dbraw/zinc/79/71/83/620797183.db2.gz GEAPDWHORCFCHU-UHFFFAOYSA-N -1 1 317.399 3.122 20 30 DGEDMM C[C@H](CC#N)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000854431765 620803411 /nfs/dbraw/zinc/80/34/11/620803411.db2.gz AXGRFIKYRGPWGB-ZCFIWIBFSA-N -1 1 317.570 3.296 20 30 DGEDMM O=C([O-])[C@H]1CCC(=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000788954516 625302798 /nfs/dbraw/zinc/30/27/98/625302798.db2.gz LALDOYUVNGTHMQ-ZDUSSCGKSA-N -1 1 320.352 3.341 20 30 DGEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)cc1[O-] ZINC000898418150 619273861 /nfs/dbraw/zinc/27/38/61/619273861.db2.gz VDNLGMSMMYYYMF-QGZVFWFLSA-N -1 1 319.364 3.026 20 30 DGEDMM CCc1onc(C)c1/C=C/C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000899385598 619333942 /nfs/dbraw/zinc/33/39/42/619333942.db2.gz UJTDWFVQTHMXIM-VOTSOKGWSA-N -1 1 317.341 3.164 20 30 DGEDMM C=CCC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000901148199 619474593 /nfs/dbraw/zinc/47/45/93/619474593.db2.gz BRKJCSZATOZWGT-MRXNPFEDSA-N -1 1 323.396 3.497 20 30 DGEDMM CC(N=Nc1ccc(C(=O)[O-])c(F)c1)c1ccnn1C1CCC1 ZINC000901248614 619480064 /nfs/dbraw/zinc/48/00/64/619480064.db2.gz DCBVTAKZGJTKML-UHFFFAOYSA-N -1 1 316.336 3.282 20 30 DGEDMM CCO[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374171 619491378 /nfs/dbraw/zinc/49/13/78/619491378.db2.gz FTFNVKJIJXDSCK-INIZCTEOSA-N -1 1 303.333 3.321 20 30 DGEDMM Cc1cccc(CO[C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372812 619491395 /nfs/dbraw/zinc/49/13/95/619491395.db2.gz MYKFDWXQDWZCCI-CQSZACIVSA-N -1 1 317.360 3.457 20 30 DGEDMM Cc1ccc(CO[C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901372761 619491472 /nfs/dbraw/zinc/49/14/72/619491472.db2.gz LRIOIUTVMTZIOK-CQSZACIVSA-N -1 1 317.360 3.457 20 30 DGEDMM O=C(COc1ccc2c(c1)CCC2)N([O-])Cc1ccc(F)cc1 ZINC000901379355 619492559 /nfs/dbraw/zinc/49/25/59/619492559.db2.gz VZLBXBPEFHRWAK-UHFFFAOYSA-N -1 1 315.344 3.111 20 30 DGEDMM C=CCN(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1OC ZINC000901587468 619518980 /nfs/dbraw/zinc/51/89/80/619518980.db2.gz WGXKPOOEJANGOI-UHFFFAOYSA-N -1 1 304.173 3.075 20 30 DGEDMM N#Cc1cc(Cl)cc(CN2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000903405027 619771488 /nfs/dbraw/zinc/77/14/88/619771488.db2.gz NBQJPEFJCQVOLI-GFCCVEGCSA-N -1 1 306.793 3.288 20 30 DGEDMM O=C(N([O-])Cc1cccc2ccccc21)C1(F)CCOCC1 ZINC000904172594 619892019 /nfs/dbraw/zinc/89/20/19/619892019.db2.gz GTODPWIYONCHAH-UHFFFAOYSA-N -1 1 303.333 3.076 20 30 DGEDMM O=C(/C=C/c1cccc([O-])c1Cl)c1cn2c(n1)CCCC2 ZINC000905075293 619970689 /nfs/dbraw/zinc/97/06/89/619970689.db2.gz VSBRIOWMOFFLCA-BQYQJAHWSA-N -1 1 302.761 3.475 20 30 DGEDMM C=CC[C@H]1N(C(=O)c2cnc(C3CC3)[n-]c2=O)CCCC1(C)C ZINC000907774057 620172980 /nfs/dbraw/zinc/17/29/80/620172980.db2.gz JAVMISSIBMQQEH-CQSZACIVSA-N -1 1 315.417 3.267 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1sc(C(C)(C)C)nc1C ZINC000915110366 620568068 /nfs/dbraw/zinc/56/80/68/620568068.db2.gz TTXYKSDKTWFBDZ-UHFFFAOYSA-N -1 1 319.434 3.389 20 30 DGEDMM N#C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CCCC1 ZINC000921560320 620909509 /nfs/dbraw/zinc/90/95/09/620909509.db2.gz RWIKOTQNIOTTPN-MRXNPFEDSA-N -1 1 310.353 3.063 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)c1 ZINC000855550256 620912051 /nfs/dbraw/zinc/91/20/51/620912051.db2.gz KUASZORVBCBNGA-GOSISDBHSA-N -1 1 322.364 3.276 20 30 DGEDMM N#CC1CCC(COC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000922914401 621130974 /nfs/dbraw/zinc/13/09/74/621130974.db2.gz MKDXLESPPIFTCQ-UHFFFAOYSA-N -1 1 307.777 3.461 20 30 DGEDMM CC(=O)c1cc(Cl)cc(CN(C[C@@H](C)C#N)C2CC2)c1[O-] ZINC000754374094 621506589 /nfs/dbraw/zinc/50/65/89/621506589.db2.gz UATZKEBEHHFCIO-JTQLQIEISA-N -1 1 306.793 3.372 20 30 DGEDMM [O-]c1c(F)cccc1C=NNc1ccc(Br)cn1 ZINC000755689001 621585919 /nfs/dbraw/zinc/58/59/19/621585919.db2.gz IKJQLSCXABCYJE-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM CCOc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000757473847 621715246 /nfs/dbraw/zinc/71/52/46/621715246.db2.gz QJSVQEUWRJSBMU-VURMDHGXSA-N -1 1 312.321 3.385 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC000757475162 621715801 /nfs/dbraw/zinc/71/58/01/621715801.db2.gz ZABZLSGPNFSHNY-RJRFIUFISA-N -1 1 303.701 3.035 20 30 DGEDMM Cc1ccc(F)c(N=NCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000759665274 621880326 /nfs/dbraw/zinc/88/03/26/621880326.db2.gz OFYAHDJLCUIJJV-UHFFFAOYSA-N -1 1 302.305 3.044 20 30 DGEDMM N#Cc1ccc(Cn2cc([N-]c3nc(C4CC4)ns3)cn2)cc1 ZINC000866116773 622048056 /nfs/dbraw/zinc/04/80/56/622048056.db2.gz VPRFVCWKQJUVCR-UHFFFAOYSA-N -1 1 322.397 3.276 20 30 DGEDMM C[C@H](Nc1ccc(OC2COC2)cc1)c1cccc(C#N)c1[O-] ZINC000866343622 622098611 /nfs/dbraw/zinc/09/86/11/622098611.db2.gz MDMDRQGIPDJYNU-LBPRGKRZSA-N -1 1 310.353 3.215 20 30 DGEDMM C[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000866374205 622105824 /nfs/dbraw/zinc/10/58/24/622105824.db2.gz FLQZUYIXGVXBKX-SJCJKPOMSA-N -1 1 321.380 3.388 20 30 DGEDMM C#CCCN(CC(F)(F)F)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000867450860 622166451 /nfs/dbraw/zinc/16/64/51/622166451.db2.gz PHWBCLXDWPXNLH-UHFFFAOYSA-N -1 1 319.710 3.002 20 30 DGEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000768145176 622441866 /nfs/dbraw/zinc/44/18/66/622441866.db2.gz XYKRVVJFGMKRIF-LBPRGKRZSA-N -1 1 300.736 3.486 20 30 DGEDMM CC[C@H](C)C(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769810395 622563841 /nfs/dbraw/zinc/56/38/41/622563841.db2.gz QAJZBRXLMMMLBC-VIFPVBQESA-N -1 1 304.398 3.121 20 30 DGEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000770391058 622628763 /nfs/dbraw/zinc/62/87/63/622628763.db2.gz RVFMLERHAJHVNN-SECBINFHSA-N -1 1 306.214 3.074 20 30 DGEDMM O=C(/C=C\c1ccnn1CC1CCC1)c1cccc([O-])c1F ZINC000871671945 622663758 /nfs/dbraw/zinc/66/37/58/622663758.db2.gz KWWIZUVDBIKXBT-FPLPWBNLSA-N -1 1 300.333 3.424 20 30 DGEDMM CON=Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000771200428 622725936 /nfs/dbraw/zinc/72/59/36/622725936.db2.gz ZELMZLFXMVWEFZ-UHFFFAOYSA-N -1 1 313.288 3.229 20 30 DGEDMM CC(C)c1nccnc1N=NC(C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000773087215 622980891 /nfs/dbraw/zinc/98/08/91/622980891.db2.gz ZLHSCMBWYFUARS-UHFFFAOYSA-N -1 1 315.333 3.050 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(Cl)cn1 ZINC000774392178 623139099 /nfs/dbraw/zinc/13/90/99/623139099.db2.gz CNPAMTFFYYVNNA-UHFFFAOYSA-N -1 1 319.748 3.278 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000775257881 623246571 /nfs/dbraw/zinc/24/65/71/623246571.db2.gz ZJDKQPJAIGFFKJ-UHFFFAOYSA-N -1 1 314.391 3.078 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3ccccc3s2)c(=O)o1 ZINC000124878498 623247128 /nfs/dbraw/zinc/24/71/28/623247128.db2.gz NRSMSINYGDLXAY-FYCOFBDGSA-N -1 1 312.346 3.130 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(CC(C)C)cc2)c(=O)o1 ZINC000126145562 623697546 /nfs/dbraw/zinc/69/75/46/623697546.db2.gz BLRSMHCGJCXBTL-BLGFXRMMSA-N -1 1 312.365 3.113 20 30 DGEDMM CCc1cccnc1C(C)=NNc1ccc(C(=O)[O-])cc1OC ZINC000779781597 623802047 /nfs/dbraw/zinc/80/20/47/623802047.db2.gz DYLSWGYLYYUYQB-UHFFFAOYSA-N -1 1 313.357 3.187 20 30 DGEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)co1 ZINC000781448972 624072002 /nfs/dbraw/zinc/07/20/02/624072002.db2.gz UKZRUQKSHCQQJO-NSHDSACASA-N -1 1 302.717 3.203 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cc(Br)nn2C)c1 ZINC000782347398 624242864 /nfs/dbraw/zinc/24/28/64/624242864.db2.gz KENZISDOSRZMBL-XQRVVYSFSA-N -1 1 321.174 3.093 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000882746386 625804986 /nfs/dbraw/zinc/80/49/86/625804986.db2.gz FEUVDCZFHUUSCR-UGSOOPFHSA-N -1 1 304.349 3.338 20 30 DGEDMM COc1cc(C(=O)N(CCC#N)CC(C)C)cc(Cl)c1[O-] ZINC000792526443 625952402 /nfs/dbraw/zinc/95/24/02/625952402.db2.gz QSXNEKPDFCCPFQ-UHFFFAOYSA-N -1 1 310.781 3.066 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c([O-])c1 ZINC000799896129 626334571 /nfs/dbraw/zinc/33/45/71/626334571.db2.gz VBELHRDGHULLAT-HYXAFXHYSA-N -1 1 323.348 3.236 20 30 DGEDMM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc1F ZINC000806558641 626720643 /nfs/dbraw/zinc/72/06/43/626720643.db2.gz IDIIGCXVTKTVBM-KXFIGUGUSA-N -1 1 316.284 3.134 20 30 DGEDMM COc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1C#N ZINC000132634422 626731033 /nfs/dbraw/zinc/73/10/33/626731033.db2.gz GOVFLOCNYOENSI-RIYZIHGNSA-N -1 1 305.333 3.485 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000809727732 626942620 /nfs/dbraw/zinc/94/26/20/626942620.db2.gz UQONWLYQOCXJJL-UHFFFAOYSA-N -1 1 306.365 3.111 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1ncccc1CSCC ZINC000886441913 627149158 /nfs/dbraw/zinc/14/91/58/627149158.db2.gz KOJVJSDMSKYLOK-UHFFFAOYSA-N -1 1 300.449 3.043 20 30 DGEDMM N#Cc1ccc(C2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000887701871 627308752 /nfs/dbraw/zinc/30/87/52/627308752.db2.gz NZTYCNXHKPEASF-UHFFFAOYSA-N -1 1 324.355 3.423 20 30 DGEDMM CC(=O)Nc1cccc(C(C)N=Nc2ccccc2C(=O)[O-])c1 ZINC000812442139 627387147 /nfs/dbraw/zinc/38/71/47/627387147.db2.gz RFXGIRKEZMMOTR-UHFFFAOYSA-N -1 1 311.341 3.179 20 30 DGEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cc(C(F)(F)F)ccn1 ZINC000813216409 627468127 /nfs/dbraw/zinc/46/81/27/627468127.db2.gz QYOSBRPGXFKALS-VSQXVHSFSA-N -1 1 305.259 3.318 20 30 DGEDMM O=C([O-])c1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1Cl ZINC000814685125 627583583 /nfs/dbraw/zinc/58/35/83/627583583.db2.gz CDNNKFOBMGALDA-UHFFFAOYSA-N -1 1 319.704 3.392 20 30 DGEDMM CC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)[C@H]1CC1(C)C ZINC000814847087 627597963 /nfs/dbraw/zinc/59/79/63/627597963.db2.gz ZNTJDKPSNZQKHH-LLVKDONJSA-N -1 1 316.409 3.121 20 30 DGEDMM CN(C)c1ccccc1CNN=Cc1cccc([O-])c1Cl ZINC000814926028 627609157 /nfs/dbraw/zinc/60/91/57/627609157.db2.gz QPXYDKUHJWLUBG-UHFFFAOYSA-N -1 1 303.793 3.235 20 30 DGEDMM C[C@@H](COc1ccccc1)NN=Cc1cccc([O-])c1Cl ZINC000814934494 627610568 /nfs/dbraw/zinc/61/05/68/627610568.db2.gz ABBDIEGXNNGVLE-LBPRGKRZSA-N -1 1 304.777 3.437 20 30 DGEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(Br)c2)on1 ZINC000821021652 628326968 /nfs/dbraw/zinc/32/69/68/628326968.db2.gz KJNKQBYSJSVDSZ-HWKANZROSA-N -1 1 324.130 3.047 20 30 DGEDMM O=C1c2ccsc2CCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504104 628570610 /nfs/dbraw/zinc/57/06/10/628570610.db2.gz MHSYPWBCIQUONO-BQYQJAHWSA-N -1 1 314.395 3.202 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H](C)[C@@H]2C)o1 ZINC000824352756 628654195 /nfs/dbraw/zinc/65/41/95/628654195.db2.gz LTFTVXJBDYZHTI-UWVGGRQHSA-N -1 1 317.397 3.202 20 30 DGEDMM CCCC(CC)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000825231868 628740431 /nfs/dbraw/zinc/74/04/31/628740431.db2.gz BMPSBINUODHWPT-UHFFFAOYSA-N -1 1 305.386 3.031 20 30 DGEDMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000826052917 628823018 /nfs/dbraw/zinc/82/30/18/628823018.db2.gz HEIAXWNPZIQXEV-YVEFUNNKSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826289275 628840457 /nfs/dbraw/zinc/84/04/57/628840457.db2.gz TUFJTBDZEHKADH-ZZXKWVIFSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826289600 628840522 /nfs/dbraw/zinc/84/05/22/628840522.db2.gz GNBYNFJUENBNHF-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826289600 628840526 /nfs/dbraw/zinc/84/05/26/628840526.db2.gz GNBYNFJUENBNHF-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM CCCCCCCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830834045 629310129 /nfs/dbraw/zinc/31/01/29/629310129.db2.gz WIUBDRIGHZEMMY-AWEZNQCLSA-N -1 1 322.371 3.016 20 30 DGEDMM CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000830906402 629319063 /nfs/dbraw/zinc/31/90/63/629319063.db2.gz 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COc1ccc([O-])c(C(=O)/C=C\c2cccc3c2OCCO3)c1 ZINC000255396331 655729885 /nfs/dbraw/zinc/72/98/85/655729885.db2.gz GTHIEQPRBUTDJP-ALCCZGGFSA-N -1 1 312.321 3.068 20 30 DGEDMM CN1C(=O)CCc2cc(/C=C/C(=O)c3ccc([O-])cc3)ccc21 ZINC000187626938 655821663 /nfs/dbraw/zinc/82/16/63/655821663.db2.gz HMRJPWRFFMZNMT-XCVCLJGOSA-N -1 1 307.349 3.197 20 30 DGEDMM C[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000180787640 655969047 /nfs/dbraw/zinc/96/90/47/655969047.db2.gz HPGRLURMLNJJFE-SNVBAGLBSA-N -1 1 316.348 3.421 20 30 DGEDMM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cc(F)ccc1O ZINC000156670058 658933261 /nfs/dbraw/zinc/93/32/61/658933261.db2.gz JTBHXUGVRPBGHK-GORDUTHDSA-N -1 1 303.245 3.041 20 30 DGEDMM CCOC(=O)c1ccc(/C=C/C(=O)c2cc(OC)ccc2[O-])o1 ZINC000156690243 658933756 /nfs/dbraw/zinc/93/37/56/658933756.db2.gz ZDILPWOKCMBOAP-QPJJXVBHSA-N -1 1 316.309 3.067 20 30 DGEDMM COc1ccc([O-])c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c1 ZINC000156693255 661864511 /nfs/dbraw/zinc/86/45/11/661864511.db2.gz 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N#Cc1cc(CN(CCC(=O)[O-])Cc2ccccc2)cs1 ZINC001601088207 1192917430 /nfs/dbraw/zinc/91/74/30/1192917430.db2.gz QDIOLGUFEVOXAL-UHFFFAOYSA-N -1 1 300.383 3.097 20 30 DGEDMM N#Cc1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC001601101491 1192918568 /nfs/dbraw/zinc/91/85/68/1192918568.db2.gz BTZDYQIJFSSKFS-UHFFFAOYSA-N -1 1 318.735 3.339 20 30 DGEDMM O=C([O-])c1cccc(NN=Cc2nc3c(s2)CCCC3)c1F ZINC001602446598 1192980668 /nfs/dbraw/zinc/98/06/68/1192980668.db2.gz BGPBSJCGZDFPPM-UHFFFAOYSA-N -1 1 319.361 3.305 20 30 DGEDMM C=C(C)[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001602747407 1192996205 /nfs/dbraw/zinc/99/62/05/1192996205.db2.gz QOZXHXZVXMURHT-OAHLLOKOSA-N -1 1 306.312 3.398 20 30 DGEDMM C=CC[C@H]1CCN1Cc1cc(C(=O)[O-])ccc1Br ZINC001602855468 1193000406 /nfs/dbraw/zinc/00/04/06/1193000406.db2.gz RGINNLARMARGFX-LBPRGKRZSA-N -1 1 310.191 3.298 20 30 DGEDMM C=CCOc1ccc(CNCc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC001602921696 1193002786 /nfs/dbraw/zinc/00/27/86/1193002786.db2.gz MIHFQFSKAGALTR-UHFFFAOYSA-N -1 1 315.369 3.395 20 30 DGEDMM N#Cc1c([O-])csc1NC(=S)Nc1cc(F)cc(F)c1 ZINC001200661429 1180792060 /nfs/dbraw/zinc/79/20/60/1180792060.db2.gz TYKYKFLBAQMNNG-UHFFFAOYSA-N -1 1 311.338 3.412 20 30 DGEDMM N#CCCCOc1cccc(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001441757305 1182069083 /nfs/dbraw/zinc/06/90/83/1182069083.db2.gz RXIDEDHGQDBNBB-UHFFFAOYSA-N -1 1 314.316 3.466 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001443533785 1182103306 /nfs/dbraw/zinc/10/33/06/1182103306.db2.gz NKIWMCWQVPKJGQ-ZDUSSCGKSA-N -1 1 322.151 3.089 20 30 DGEDMM CC(C)(C)Oc1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001444854897 1182129448 /nfs/dbraw/zinc/12/94/48/1182129448.db2.gz NRRVDRDKFHGYTG-UHFFFAOYSA-N -1 1 324.380 3.371 20 30 DGEDMM Clc1cc(Cl)cc(NN=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC001606188994 1193194105 /nfs/dbraw/zinc/19/41/05/1193194105.db2.gz MFDMNPGOVQSFFK-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM Clc1cc(Cl)cc(NN=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC001606188994 1193194107 /nfs/dbraw/zinc/19/41/07/1193194107.db2.gz MFDMNPGOVQSFFK-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM N#Cc1ccc(CCC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001467998577 1183302636 /nfs/dbraw/zinc/30/26/36/1183302636.db2.gz FVFPWADFTZVOHJ-UHFFFAOYSA-N -1 1 302.280 3.113 20 30 DGEDMM Cc1cc(C=O)c([O-])c(C(=O)NC(C)(C)c2cccc(C#N)c2)c1 ZINC001470063193 1183459467 /nfs/dbraw/zinc/45/94/67/1183459467.db2.gz SGPXOQXSGRGOPM-UHFFFAOYSA-N -1 1 322.364 3.050 20 30 DGEDMM Cc1cc(CN2CCc3c(cccc3C(=O)[O-])C2)ccc1C#N ZINC001607642097 1193243643 /nfs/dbraw/zinc/24/36/43/1193243643.db2.gz WBNPFXGAPSMFEV-UHFFFAOYSA-N -1 1 306.365 3.123 20 30 DGEDMM COc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C#N ZINC001474229363 1183886818 /nfs/dbraw/zinc/88/68/18/1183886818.db2.gz RBZOMICXXXIQNH-UHFFFAOYSA-N -1 1 320.352 3.070 20 30 DGEDMM N#Cc1ccc([C@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC001608202526 1193282908 /nfs/dbraw/zinc/28/29/08/1193282908.db2.gz RMOSRZVWROKHEW-HNNXBMFYSA-N -1 1 318.735 3.266 20 30 DGEDMM Cc1nc(C)c(C(C)N=Nc2cccc(C(=O)[O-])c2F)s1 ZINC001609556792 1193344465 /nfs/dbraw/zinc/34/44/65/1193344465.db2.gz KSISSMOZWVQCRJ-UHFFFAOYSA-N -1 1 307.350 3.433 20 30 DGEDMM CC[C@H](c1ccc(Cl)cc1)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609940225 1193367129 /nfs/dbraw/zinc/36/71/29/1193367129.db2.gz ZUDWIDJICYCSLQ-CQSZACIVSA-N -1 1 306.793 3.481 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1C ZINC000071140163 1195931552 /nfs/dbraw/zinc/93/15/52/1195931552.db2.gz RZVKTAZMJVTQEY-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1oc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1C(=O)[O-] ZINC001610583225 1193400038 /nfs/dbraw/zinc/40/00/38/1193400038.db2.gz ZQHCBSVROWODBN-UHFFFAOYSA-N -1 1 310.353 3.323 20 30 DGEDMM Cn1ccnc1C(C#N)=C([O-])c1scnc1C1CCCC1 ZINC001515836892 1186771588 /nfs/dbraw/zinc/77/15/88/1186771588.db2.gz NLRRSSFSRSAXHC-LLVKDONJSA-N -1 1 300.387 3.024 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1C ZINC001524677660 1187259748 /nfs/dbraw/zinc/25/97/48/1187259748.db2.gz 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/nfs/dbraw/zinc/62/47/02/434624702.db2.gz AZQIUVFTSYLSIA-INIZCTEOSA-N -1 1 324.380 3.496 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1Cl ZINC000524794050 434992313 /nfs/dbraw/zinc/99/23/13/434992313.db2.gz JWNKQEGAOBZPOT-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475802653 435211886 /nfs/dbraw/zinc/21/18/86/435211886.db2.gz CCRSVJQJUXKPSC-UHFFFAOYSA-N -1 1 314.410 3.424 20 30 DGEDMM C=C(CC)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000582426211 435240826 /nfs/dbraw/zinc/24/08/26/435240826.db2.gz FNKCVEDPFTXKMP-AWEZNQCLSA-N -1 1 324.218 3.227 20 30 DGEDMM C=C(C)[C@@H](CO)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000649538083 435618283 /nfs/dbraw/zinc/61/82/83/435618283.db2.gz BMJMALGERCUWIV-CYBMUJFWSA-N -1 1 302.399 3.187 20 30 DGEDMM CCc1ccc([C@@H]2CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000562118811 314997965 /nfs/dbraw/zinc/99/79/65/314997965.db2.gz RKBSWRAIZYLECS-GOSISDBHSA-N -1 1 320.392 3.456 20 30 DGEDMM CCc1nc(SCc2cc(C#N)ccc2F)[n-]c(=O)c1C ZINC000569379909 315577842 /nfs/dbraw/zinc/57/78/42/315577842.db2.gz VSZAZAGNOBUQFP-UHFFFAOYSA-N -1 1 303.362 3.356 20 30 DGEDMM C#CCC(C)(C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000185043649 335110505 /nfs/dbraw/zinc/11/05/05/335110505.db2.gz KOZNGAQIXSIAJH-UHFFFAOYSA-N -1 1 310.191 3.451 20 30 DGEDMM CCCn1ccc2ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc21 ZINC000416965862 334687803 /nfs/dbraw/zinc/68/78/03/334687803.db2.gz YBNDGLANIAOLPT-CQSZACIVSA-N -1 1 305.403 3.095 20 30 DGEDMM Cc1cncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000131935294 341113817 /nfs/dbraw/zinc/11/38/17/341113817.db2.gz UAWYTGKUBSFVOM-GFCCVEGCSA-N -1 1 305.259 3.294 20 30 DGEDMM C[C@@]1(NC(=O)c2ccc(C#N)c([O-])c2)CCCc2ccccc21 ZINC000442956065 534273910 /nfs/dbraw/zinc/27/39/10/534273910.db2.gz NEHAHOYVBKCFEX-LJQANCHMSA-N -1 1 306.365 3.245 20 30 DGEDMM C=CCn1cccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000488458405 534472579 /nfs/dbraw/zinc/47/25/79/534472579.db2.gz CBHCTCRWGMAHMJ-UHFFFAOYSA-N -1 1 308.341 3.022 20 30 DGEDMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000331241865 526682646 /nfs/dbraw/zinc/68/26/46/526682646.db2.gz PBDNCIFIRZXWLH-CZUORRHYSA-N -1 1 319.401 3.373 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1cc(CSCC)ccn1 ZINC000427784993 527245960 /nfs/dbraw/zinc/24/59/60/527245960.db2.gz PTKVWNKYCFBWIB-UHFFFAOYSA-N -1 1 300.449 3.043 20 30 DGEDMM CCOc1cc(C(=O)N[C@]2(C)CCO[C@H]2C)cc(Cl)c1[O-] ZINC000330869107 528189260 /nfs/dbraw/zinc/18/92/60/528189260.db2.gz FERLZTDHDPGBAH-BJOHPYRUSA-N -1 1 313.781 3.316 20 30 DGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)OCO3)n1 ZINC000177771066 528239796 /nfs/dbraw/zinc/23/97/96/528239796.db2.gz VBEKICXOOGMSBT-NSHDSACASA-N -1 1 314.366 3.485 20 30 DGEDMM COC(=O)c1ccc([O-])c(C=NNc2cc(F)c(F)cc2F)c1 ZINC000734302918 574655527 /nfs/dbraw/zinc/65/55/27/574655527.db2.gz VGCWURIKEASLGH-UHFFFAOYSA-N -1 1 324.258 3.042 20 30 DGEDMM Cc1cccc2nc(C(C#N)=C([O-])c3cccc4c[nH]nc43)[nH]c21 ZINC000735790657 574714990 /nfs/dbraw/zinc/71/49/90/574714990.db2.gz OMRGVQDMGKXKRX-ZDUSSCGKSA-N -1 1 315.336 3.238 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC(C)(C)CC2)o1 ZINC000735939798 574721743 /nfs/dbraw/zinc/72/17/43/574721743.db2.gz TUMPIFVAGUYXMS-UHFFFAOYSA-N -1 1 317.397 3.346 20 30 DGEDMM C=CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736114082 574731502 /nfs/dbraw/zinc/73/15/02/574731502.db2.gz MFAKHJWRPJELCY-GOSISDBHSA-N -1 1 322.364 3.039 20 30 DGEDMM CCC(N=Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(OC)c1 ZINC000736302412 574741473 /nfs/dbraw/zinc/74/14/73/574741473.db2.gz FKNYXNWFNGAKSA-UHFFFAOYSA-N -1 1 322.372 3.102 20 30 DGEDMM CCOc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737212741 574827356 /nfs/dbraw/zinc/82/73/56/574827356.db2.gz KELQQZZXHJPJTK-FZKQIMNGSA-N -1 1 324.380 3.433 20 30 DGEDMM N#Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nc1 ZINC000743047804 575032914 /nfs/dbraw/zinc/03/29/14/575032914.db2.gz PWPQJXJQFSPISD-BQYQJAHWSA-N -1 1 319.773 3.019 20 30 DGEDMM C[C@@H](Oc1cccc(C=NNc2cccc(F)c2F)c1)C(=O)[O-] ZINC000743443403 575051989 /nfs/dbraw/zinc/05/19/89/575051989.db2.gz XXBYOVXRWWPIKF-SNVBAGLBSA-N -1 1 320.295 3.263 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-c3cnn(C)c3)c2)n1 ZINC000744010779 575068468 /nfs/dbraw/zinc/06/84/68/575068468.db2.gz OXYBBMKCJBVOQV-HNNXBMFYSA-N -1 1 322.393 3.342 20 30 DGEDMM COc1ccc2[nH]cc(C=NNc3ccccc3C(=O)[O-])c2c1 ZINC000730145119 575276213 /nfs/dbraw/zinc/27/62/13/575276213.db2.gz PVZBHASYDQMPAX-UHFFFAOYSA-N -1 1 309.325 3.321 20 30 DGEDMM N#Cc1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000749316746 575644155 /nfs/dbraw/zinc/64/41/55/575644155.db2.gz PKRIUVFJHVSNMJ-UHFFFAOYSA-N -1 1 309.253 3.058 20 30 DGEDMM CC(=NNc1ncccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749612703 575669422 /nfs/dbraw/zinc/66/94/22/575669422.db2.gz QZMLAURJAHHTKW-UHFFFAOYSA-N -1 1 306.709 3.185 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)s1 ZINC000749892172 575685538 /nfs/dbraw/zinc/68/55/38/575685538.db2.gz RMJGKUHFIKWFBH-UPHRSURJSA-N -1 1 310.277 3.326 20 30 DGEDMM C=C(C)CN(CC)C(=O)[C@@H](C)O[N-]C(=O)CCC1CCCCC1 ZINC000751520546 575788464 /nfs/dbraw/zinc/78/84/64/575788464.db2.gz IQWQILCGXBESEW-OAHLLOKOSA-N -1 1 324.465 3.208 20 30 DGEDMM C=CCOc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1Cl ZINC000727251878 576114768 /nfs/dbraw/zinc/11/47/68/576114768.db2.gz JTBCYFNKHMTTRY-UHFFFAOYSA-N -1 1 318.764 3.155 20 30 DGEDMM CCCC[C@@H]1CCCC1=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000727256413 576115550 /nfs/dbraw/zinc/11/55/50/576115550.db2.gz VROUJSSBHTXGOG-GFCCVEGCSA-N -1 1 319.430 3.071 20 30 DGEDMM CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806558746 617630165 /nfs/dbraw/zinc/63/01/65/617630165.db2.gz KKOVYGSHXUOHNJ-YHYXMXQVSA-N -1 1 312.321 3.385 20 30 DGEDMM Cc1ccc(-c2cc(C(=O)OCc3ccccc3C#N)[nH]n2)o1 ZINC000919326426 620746533 /nfs/dbraw/zinc/74/65/33/620746533.db2.gz UBZYWQKXYZGFGU-UHFFFAOYSA-N -1 1 307.309 3.207 20 30 DGEDMM CC[C@@H](NCc1csc(COC)n1)c1cccc(C#N)c1[O-] ZINC000926448480 618022590 /nfs/dbraw/zinc/02/25/90/618022590.db2.gz NKJWTIURRBVWRM-CQSZACIVSA-N -1 1 317.414 3.108 20 30 DGEDMM CSCCON=Cc1cc(C)cc(Br)c1[O-] ZINC000794572055 618565928 /nfs/dbraw/zinc/56/59/28/618565928.db2.gz JVWNHVZKEPWOAT-UHFFFAOYSA-N -1 1 304.209 3.177 20 30 DGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000788846798 625280174 /nfs/dbraw/zinc/28/01/74/625280174.db2.gz YDYUDOULGZZDGD-SOFGYWHQSA-N -1 1 319.773 3.019 20 30 DGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC000788846799 625280912 /nfs/dbraw/zinc/28/09/12/625280912.db2.gz YDYUDOULGZZDGD-VURMDHGXSA-N -1 1 319.773 3.019 20 30 DGEDMM N#CC1CCC(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897659540 619172047 /nfs/dbraw/zinc/17/20/47/619172047.db2.gz KYQYNOLIMSYUCY-UHFFFAOYSA-N -1 1 324.380 3.311 20 30 DGEDMM C#CC[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000898084033 619214401 /nfs/dbraw/zinc/21/44/01/619214401.db2.gz GCPSIOMMMPITEP-ZDUSSCGKSA-N -1 1 309.365 3.127 20 30 DGEDMM Cn1nc2c(c1/C=C/C(=O)c1cc([O-])cc(F)c1)CCCC2 ZINC000899414067 619339134 /nfs/dbraw/zinc/33/91/34/619339134.db2.gz UBLIQWWCOAJVMV-VOTSOKGWSA-N -1 1 300.333 3.040 20 30 DGEDMM N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1[O-] ZINC000899424497 619340379 /nfs/dbraw/zinc/34/03/79/619340379.db2.gz IINIUDZIWWTCOB-WFASDCNBSA-N -1 1 324.302 3.068 20 30 DGEDMM O=C([C@@H]1Cc2cc(Cl)ccc2O1)N([O-])Cc1ccc(F)cc1 ZINC000901375900 619491892 /nfs/dbraw/zinc/49/18/92/619491892.db2.gz NHANGJZOCRYGPD-HNNXBMFYSA-N -1 1 321.735 3.201 20 30 DGEDMM Cn1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c(C2CCCC2)n1 ZINC000901483671 619509470 /nfs/dbraw/zinc/50/94/70/619509470.db2.gz UGPHGXTZOMZKFG-VURMDHGXSA-N -1 1 312.369 3.385 20 30 DGEDMM C=CCOc1ccccc1CN1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000901914549 619560249 /nfs/dbraw/zinc/56/02/49/619560249.db2.gz IHFOCGQXIJEPTA-SFHVURJKSA-N -1 1 319.376 3.030 20 30 DGEDMM C=CCCCCCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908259816 620196525 /nfs/dbraw/zinc/19/65/25/620196525.db2.gz JNFBHRJXYMHWPS-UHFFFAOYSA-N -1 1 303.406 3.316 20 30 DGEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000908661433 620216448 /nfs/dbraw/zinc/21/64/48/620216448.db2.gz XPMJSMRZHJZADJ-HNNXBMFYSA-N -1 1 324.380 3.080 20 30 DGEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000912707427 620402543 /nfs/dbraw/zinc/40/25/43/620402543.db2.gz SIDLGMDTBXNRMP-TXEJJXNPSA-N -1 1 312.344 3.403 20 30 DGEDMM CCCCCCCC(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599392 620544510 /nfs/dbraw/zinc/54/45/10/620544510.db2.gz AHAUFLFIAWXRBU-UHFFFAOYSA-N -1 1 321.446 3.462 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1nc(-c2ccccc2)[nH]c1C ZINC000915110297 620568198 /nfs/dbraw/zinc/56/81/98/620568198.db2.gz PTCABVGPZDCDJC-UHFFFAOYSA-N -1 1 322.372 3.025 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(-c3ccccc3)n2)n1 ZINC000916241698 620622520 /nfs/dbraw/zinc/62/25/20/620622520.db2.gz OXEDFHMJUKXYHV-UHFFFAOYSA-N -1 1 311.370 3.060 20 30 DGEDMM Cc1nc2sccc2c(=O)n1N=Cc1ccc([O-])c(Cl)c1 ZINC000921255772 620845213 /nfs/dbraw/zinc/84/52/13/620845213.db2.gz CMPJGCLGTONOHP-UHFFFAOYSA-N -1 1 319.773 3.008 20 30 DGEDMM O=C([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)C(F)(F)C(F)F ZINC000752510737 621396814 /nfs/dbraw/zinc/39/68/14/621396814.db2.gz YKDMHIRBJULQEE-BQBZGAKWSA-N -1 1 309.225 3.372 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CC3(CCC3)Oc3ccccc32)n1 ZINC000753161308 621429140 /nfs/dbraw/zinc/42/91/40/621429140.db2.gz HSSKGKOIHYTTAT-UHFFFAOYSA-N -1 1 310.357 3.012 20 30 DGEDMM CCCCCCCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000754778663 621532388 /nfs/dbraw/zinc/53/23/88/621532388.db2.gz GHBNOFDSQANQRC-UHFFFAOYSA-N -1 1 301.390 3.013 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cc(F)cc(F)c2)c1 ZINC000755599837 621580008 /nfs/dbraw/zinc/58/00/08/621580008.db2.gz VIINLYJPVOZWBI-IWQZZHSRSA-N -1 1 304.248 3.265 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc(-n3cncn3)cc2)c1 ZINC000757468641 621714471 /nfs/dbraw/zinc/71/44/71/621714471.db2.gz UGSFLEJGKGDQOJ-UITAMQMPSA-N -1 1 305.337 3.177 20 30 DGEDMM COc1ccc(OC)c(/C=C/C(=O)c2cc(OC)ccc2[O-])c1 ZINC000757467728 621714525 /nfs/dbraw/zinc/71/45/25/621714525.db2.gz ITPNSTLHXLPVRQ-QPJJXVBHSA-N -1 1 314.337 3.314 20 30 DGEDMM CCOc1ccccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757471291 621714939 /nfs/dbraw/zinc/71/49/39/621714939.db2.gz AFMRGMCLDQAUCM-CLFYSBASSA-N -1 1 312.321 3.385 20 30 DGEDMM C[C@H](Oc1cccc(/C=C\C(=O)c2ccccc2O)c1)C(=O)[O-] ZINC000757476221 621715735 /nfs/dbraw/zinc/71/57/35/621715735.db2.gz WUVVDBWAXHFYMI-PRDAAYKISA-N -1 1 312.321 3.140 20 30 DGEDMM C=CCCC(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000758122037 621759241 /nfs/dbraw/zinc/75/92/41/621759241.db2.gz GBXBJOYGYOOQOL-UHFFFAOYSA-N -1 1 302.382 3.041 20 30 DGEDMM Cc1ccc(F)c(N=NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000759652240 621879529 /nfs/dbraw/zinc/87/95/29/621879529.db2.gz FPCUMIJZIZVRES-UHFFFAOYSA-N -1 1 302.305 3.044 20 30 DGEDMM CCC(=NNc1ccncc1Cl)c1ccc(C(=O)[O-])cc1 ZINC000760260912 621926219 /nfs/dbraw/zinc/92/62/19/621926219.db2.gz RPZNNRGEPHRNOZ-UHFFFAOYSA-N -1 1 303.749 3.081 20 30 DGEDMM COCCOc1ccccc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866331779 622095469 /nfs/dbraw/zinc/09/54/69/622095469.db2.gz PPTUIVGOIAYYSO-ZDUSSCGKSA-N -1 1 312.369 3.462 20 30 DGEDMM C[C@@H](Nc1ccc(OC2COC2)cc1)c1cccc(C#N)c1[O-] ZINC000866343621 622098529 /nfs/dbraw/zinc/09/85/29/622098529.db2.gz MDMDRQGIPDJYNU-GFCCVEGCSA-N -1 1 310.353 3.215 20 30 DGEDMM CC(=NOC[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766028822 622301168 /nfs/dbraw/zinc/30/11/68/622301168.db2.gz HOFXEUQVYVKJEQ-SECBINFHSA-N -1 1 304.173 3.476 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(C#N)c(C)c1 ZINC000766453787 622331158 /nfs/dbraw/zinc/33/11/58/622331158.db2.gz SFEZZYRSQPHLKL-UHFFFAOYSA-N -1 1 309.325 3.020 20 30 DGEDMM COC(=O)c1coc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000766502744 622334841 /nfs/dbraw/zinc/33/48/41/622334841.db2.gz QATAGISPOCLZIR-HWKANZROSA-N -1 1 306.701 3.321 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000869711278 622394562 /nfs/dbraw/zinc/39/45/62/622394562.db2.gz MSRAQSKGGJUIOH-NSHDSACASA-N -1 1 323.261 3.066 20 30 DGEDMM [O-]c1c(F)cc(Cl)cc1CN=Nc1nccnc1Cl ZINC000768363297 622452416 /nfs/dbraw/zinc/45/24/16/622452416.db2.gz WZQVZKHDZDNRPV-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM O=C([N-]CC(F)(F)c1cc(F)cc(F)c1)C(F)C(F)(F)F ZINC000881835449 625574715 /nfs/dbraw/zinc/57/47/15/625574715.db2.gz DKKSGLQIQGBKOI-QMMMGPOBSA-N -1 1 321.167 3.073 20 30 DGEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCCC1(C)C)nc2=O ZINC000769814142 622563423 /nfs/dbraw/zinc/56/34/23/622563423.db2.gz YAAPBMOJOPQNMH-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM CC(C)CC[C@@H]1CCCC1=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817871 622564202 /nfs/dbraw/zinc/56/42/02/622564202.db2.gz BEBVISBEAILDMI-NSHDSACASA-N -1 1 316.409 3.073 20 30 DGEDMM [O-]c1ccc(Cl)c(F)c1C=NNc1ccc(Cl)nn1 ZINC000790142791 625608046 /nfs/dbraw/zinc/60/80/46/625608046.db2.gz HSZHOMQOUCQLIH-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1ccc(Cl)nn1 ZINC000790142791 625608051 /nfs/dbraw/zinc/60/80/51/625608051.db2.gz HSZHOMQOUCQLIH-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM Cc1cccnc1NN=Cc1ccc([O-])c(Br)c1 ZINC000790193891 625614908 /nfs/dbraw/zinc/61/49/08/625614908.db2.gz RHWGHLVOLUAIQK-UHFFFAOYSA-N -1 1 306.163 3.304 20 30 DGEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000874093005 623239156 /nfs/dbraw/zinc/23/91/56/623239156.db2.gz IRQRSDUCJHNZOM-UHFFFAOYSA-N -1 1 320.352 3.407 20 30 DGEDMM CC[C@@](C)([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000875378290 623444073 /nfs/dbraw/zinc/44/40/73/623444073.db2.gz PMBDAXOLZVMPKG-ZCFIWIBFSA-N -1 1 301.177 3.421 20 30 DGEDMM N#CC1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000777917269 623585405 /nfs/dbraw/zinc/58/54/05/623585405.db2.gz KMIPLVRKCRUXPS-UHFFFAOYSA-N -1 1 323.299 3.029 20 30 DGEDMM CC(C)(C#N)CCOC(=O)c1ccc(Br)c([O-])c1 ZINC000778825718 623701375 /nfs/dbraw/zinc/70/13/75/623701375.db2.gz CAIRTWBGQUNMGO-UHFFFAOYSA-N -1 1 312.163 3.251 20 30 DGEDMM [O-]c1c(Br)cccc1C=NNc1ccnc(F)c1 ZINC000781127483 624025766 /nfs/dbraw/zinc/02/57/66/624025766.db2.gz MYNOCJZGODTGRB-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc([O-])c1Cl ZINC000877849560 624068141 /nfs/dbraw/zinc/06/81/41/624068141.db2.gz JTSIDKGQCOLLOZ-INIZCTEOSA-N -1 1 312.756 3.245 20 30 DGEDMM Cc1c(C(C)N=Nc2ccccc2C(=O)[O-])cnn1C(C)(C)C ZINC000787152252 624983629 /nfs/dbraw/zinc/98/36/29/624983629.db2.gz FFRDHBSNXVEOFX-UHFFFAOYSA-N -1 1 314.389 3.481 20 30 DGEDMM Cc1oc(C2CC2)nc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000796790555 626083297 /nfs/dbraw/zinc/08/32/97/626083297.db2.gz RSRJOGCLTPPTOD-CQSZACIVSA-N -1 1 323.352 3.130 20 30 DGEDMM C#CCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000797828101 626172003 /nfs/dbraw/zinc/17/20/03/626172003.db2.gz JSMAXRSDCORUPQ-UHFFFAOYSA-N -1 1 324.204 3.214 20 30 DGEDMM C[C@H]1CC[C@@H](C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000800813348 626376197 /nfs/dbraw/zinc/37/61/97/626376197.db2.gz VABOAOICJPRJDJ-WDEREUQCSA-N -1 1 316.409 3.121 20 30 DGEDMM CC(C)Cc1nc(C#N)c(N=NCc2ccc([O-])c(F)c2F)o1 ZINC000884424710 626878699 /nfs/dbraw/zinc/87/86/99/626878699.db2.gz HNYKFEMTLUBFGF-UHFFFAOYSA-N -1 1 320.299 3.175 20 30 DGEDMM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2nccs2)cc1 ZINC000809257839 626899774 /nfs/dbraw/zinc/89/97/74/626899774.db2.gz PPXPNVSIWKNCOC-LBPRGKRZSA-N -1 1 321.352 3.178 20 30 DGEDMM C#CCC1(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)CCC1 ZINC000886784663 627203890 /nfs/dbraw/zinc/20/38/90/627203890.db2.gz SCYYQOHOQZZXAK-UHFFFAOYSA-N -1 1 307.777 3.120 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ncc(-c3ccccc3)s2)n1 ZINC000811628777 627296329 /nfs/dbraw/zinc/29/63/29/627296329.db2.gz LVOUWOUDONFMMV-UHFFFAOYSA-N -1 1 311.370 3.060 20 30 DGEDMM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1nc(C#N)cs1 ZINC000811687529 627305360 /nfs/dbraw/zinc/30/53/60/627305360.db2.gz GRGWFIIPGCRXLB-WDTYERQASA-N -1 1 300.314 3.243 20 30 DGEDMM O=C([O-])c1ccccc1N=NCc1ccc(-n2ccnc2)cc1 ZINC000812444566 627387194 /nfs/dbraw/zinc/38/71/94/627387194.db2.gz BXALTXWQYPPUJW-UHFFFAOYSA-N -1 1 306.325 3.017 20 30 DGEDMM COc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1OC ZINC000812442069 627387247 /nfs/dbraw/zinc/38/72/47/627387247.db2.gz OPZAALRXBHXTFW-UHFFFAOYSA-N -1 1 314.341 3.238 20 30 DGEDMM CCCCCCCC(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889795587 627467520 /nfs/dbraw/zinc/46/75/20/627467520.db2.gz ZJSBQYHONFOTHV-CYBMUJFWSA-N -1 1 321.421 3.215 20 30 DGEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3cc(F)cc(F)c3)C2)n1 ZINC000814681184 627583096 /nfs/dbraw/zinc/58/30/96/627583096.db2.gz AQLMHMUGACPXOW-UHFFFAOYSA-N -1 1 304.300 3.114 20 30 DGEDMM CCOc1ccc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)cc1 ZINC000814984119 627615884 /nfs/dbraw/zinc/61/58/84/627615884.db2.gz VEXNSTPMRCCUEF-UHFFFAOYSA-N -1 1 324.340 3.106 20 30 DGEDMM C(=NNc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC000819719037 628182941 /nfs/dbraw/zinc/18/29/41/628182941.db2.gz XLOCVGAYPOGNGK-UHFFFAOYSA-N -1 1 304.313 3.059 20 30 DGEDMM C(=NNc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC000819719037 628182946 /nfs/dbraw/zinc/18/29/46/628182946.db2.gz XLOCVGAYPOGNGK-UHFFFAOYSA-N -1 1 304.313 3.059 20 30 DGEDMM CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(Br)cc1 ZINC000820935142 628316219 /nfs/dbraw/zinc/31/62/19/628316219.db2.gz NEYDPZWYBDMOLJ-JTQLQIEISA-N -1 1 317.133 3.175 20 30 DGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822225349 628430912 /nfs/dbraw/zinc/43/09/12/628430912.db2.gz ZQCHWCLRMHEBLH-FNORWQNLSA-N -1 1 310.382 3.441 20 30 DGEDMM CC(=NNc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823958149 628613508 /nfs/dbraw/zinc/61/35/08/628613508.db2.gz FHEKFZFNZLMOMX-UHFFFAOYSA-N -1 1 320.328 3.043 20 30 DGEDMM CC(=NNc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823963141 628614059 /nfs/dbraw/zinc/61/40/59/628614059.db2.gz WQEROSQHYFAEMO-UHFFFAOYSA-N -1 1 318.793 3.418 20 30 DGEDMM CC(=NNc1ccc(F)cc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823958787 628614064 /nfs/dbraw/zinc/61/40/64/628614064.db2.gz WTCYGHXTLAYWND-UHFFFAOYSA-N -1 1 316.365 3.212 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H](C)[C@H]2C)o1 ZINC000824352757 628653903 /nfs/dbraw/zinc/65/39/03/628653903.db2.gz LTFTVXJBDYZHTI-VHSXEESVSA-N -1 1 317.397 3.202 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)C[C@@H](C)CC(C)C)o1 ZINC000824390881 628657182 /nfs/dbraw/zinc/65/71/82/628657182.db2.gz FCDYGBWGGHXGPZ-VIFPVBQESA-N -1 1 305.386 3.023 20 30 DGEDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000826054970 628823919 /nfs/dbraw/zinc/82/39/19/628823919.db2.gz UBLNROWSTLEDRY-YVEFUNNKSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826264056 628836350 /nfs/dbraw/zinc/83/63/50/628836350.db2.gz ANSRQOGGORLXGD-ARJAWSKDSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826264056 628836353 /nfs/dbraw/zinc/83/63/53/628836353.db2.gz ANSRQOGGORLXGD-ARJAWSKDSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826294190 628841589 /nfs/dbraw/zinc/84/15/89/628841589.db2.gz LKYYFVNGIJEVEY-FMIVXFBMSA-N -1 1 322.393 3.449 20 30 DGEDMM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401015 628851232 /nfs/dbraw/zinc/85/12/32/628851232.db2.gz NDCHANNUNWEDOH-RQOWECAXSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401015 628851235 /nfs/dbraw/zinc/85/12/35/628851235.db2.gz NDCHANNUNWEDOH-RQOWECAXSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400424 628851641 /nfs/dbraw/zinc/85/16/41/628851641.db2.gz YVIGTPNYJXRLSH-RJRFIUFISA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400424 628851645 /nfs/dbraw/zinc/85/16/45/628851645.db2.gz YVIGTPNYJXRLSH-RJRFIUFISA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826403130 628851745 /nfs/dbraw/zinc/85/17/45/628851745.db2.gz KQYQPMFANQRRFK-AATRIKPKSA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826403130 628851750 /nfs/dbraw/zinc/85/17/50/628851750.db2.gz KQYQPMFANQRRFK-AATRIKPKSA-N -1 1 316.773 3.478 20 30 DGEDMM C=C1CCC(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000830997797 629328586 /nfs/dbraw/zinc/32/85/86/629328586.db2.gz BLQZGEZTVGBYPM-UHFFFAOYSA-N -1 1 317.433 3.264 20 30 DGEDMM COc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832595561 629498646 /nfs/dbraw/zinc/49/86/46/629498646.db2.gz MHNLGRFDRYFBBW-SJCJKPOMSA-N -1 1 310.353 3.043 20 30 DGEDMM O=C([O-])Nc1ccc(C=NNc2nc3ccccc3s2)cn1 ZINC000832840206 629520613 /nfs/dbraw/zinc/52/06/13/629520613.db2.gz DXGJMVMNVNTVIC-UHFFFAOYSA-N -1 1 313.342 3.227 20 30 DGEDMM C=CCN(Cc1cccs1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833374536 629594399 /nfs/dbraw/zinc/59/43/99/629594399.db2.gz PDARCXQQGNAFEM-UHFFFAOYSA-N -1 1 317.410 3.400 20 30 DGEDMM CC(C)(C(=O)[O-])[C@@H](NCc1ccccc1C#N)c1ccccc1 ZINC000833412537 629601233 /nfs/dbraw/zinc/60/12/33/629601233.db2.gz BHLIKNGMQFMFMP-KRWDZBQOSA-N -1 1 308.381 3.500 20 30 DGEDMM C[C@]1(C#N)CCCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833551140 629619165 /nfs/dbraw/zinc/61/91/65/629619165.db2.gz GXUKRMMXMGFFAM-LJQANCHMSA-N -1 1 324.380 3.369 20 30 DGEDMM CCCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)C1CCCC1 ZINC000834939027 629810505 /nfs/dbraw/zinc/81/05/05/629810505.db2.gz WEKVFGMMMTYTCK-UHFFFAOYSA-N -1 1 319.430 3.071 20 30 DGEDMM C#CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000844005104 630706260 /nfs/dbraw/zinc/70/62/60/630706260.db2.gz ITUNPSAHOJPWME-NSHDSACASA-N -1 1 311.303 3.287 20 30 DGEDMM Cc1ocnc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000105757548 631057599 /nfs/dbraw/zinc/05/75/99/631057599.db2.gz CKOZVXCZOGVEPM-CQSZACIVSA-N -1 1 319.320 3.097 20 30 DGEDMM CC[C@H](C#N)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000846128555 631211239 /nfs/dbraw/zinc/21/12/39/631211239.db2.gz HQMHTZKGWPTMEV-ZCFIWIBFSA-N -1 1 317.570 3.296 20 30 DGEDMM Cc1ccc([C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)o1 ZINC000847220549 631441474 /nfs/dbraw/zinc/44/14/74/631441474.db2.gz KNEKWAYDZTYPDB-NKWVEPMBSA-N -1 1 307.165 3.208 20 30 DGEDMM CN1C(=O)CCc2cc(/C=C3/Cc4cc([O-])ccc4C3=O)ccc21 ZINC000187221001 660970496 /nfs/dbraw/zinc/97/04/96/660970496.db2.gz HOWUCLRGOVFCEY-DHDCSXOGSA-N -1 1 319.360 3.124 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000187226484 660974934 /nfs/dbraw/zinc/97/49/34/660974934.db2.gz GOTOUPKKLDPPHJ-LFIBNONCSA-N -1 1 321.376 3.051 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccccc1-n1ccnn1 ZINC000794741964 661103394 /nfs/dbraw/zinc/10/33/94/661103394.db2.gz YMOZPRLVTTZFRA-ALCCZGGFSA-N -1 1 309.300 3.008 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(CC(C)C)cc2)c(=O)o1 ZINC000254957083 655548739 /nfs/dbraw/zinc/54/87/39/655548739.db2.gz BLRSMHCGJCXBTL-CNZFZVQHSA-N -1 1 312.365 3.113 20 30 DGEDMM Cc1cc(/C=C\C(=O)c2ccc([O-])cc2)ccc1-n1cncn1 ZINC000254984821 655554348 /nfs/dbraw/zinc/55/43/48/655554348.db2.gz BJFSSJRJXRPBMX-OQFOIZHKSA-N -1 1 305.337 3.177 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cn2cc(Cl)ccc2n1 ZINC000255163476 655618226 /nfs/dbraw/zinc/61/82/26/655618226.db2.gz JIUCELIAJNWAIP-LHHJGKSTSA-N -1 1 312.712 3.310 20 30 DGEDMM COc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)c([O-])c1 ZINC000179484246 655893833 /nfs/dbraw/zinc/89/38/33/655893833.db2.gz RYKRVVCKABVEAC-UHFFFAOYSA-N -1 1 310.353 3.270 20 30 DGEDMM C=CCN(CC(=O)[O-])Cc1cc(Br)ccc1Cl ZINC000236425095 655953922 /nfs/dbraw/zinc/95/39/22/655953922.db2.gz XZPDJNYFEHCSEN-UHFFFAOYSA-N -1 1 318.598 3.175 20 30 DGEDMM N#CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000036988000 661212766 /nfs/dbraw/zinc/21/27/66/661212766.db2.gz XYILJYXQKQCHKY-UHFFFAOYSA-N -1 1 322.773 3.043 20 30 DGEDMM CC(C)N(C)c1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cn1 ZINC000191257616 656167624 /nfs/dbraw/zinc/16/76/24/656167624.db2.gz UQJBIKHXFPTECR-LZYBPNLTSA-N -1 1 310.353 3.248 20 30 DGEDMM O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000157321633 659048120 /nfs/dbraw/zinc/04/81/20/659048120.db2.gz DCZGLOQHSDJPNU-LZCJLJQNSA-N -1 1 303.245 3.041 20 30 DGEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000233294931 659917172 /nfs/dbraw/zinc/91/71/72/659917172.db2.gz HJRCNMBROSLBLH-ZETCQYMHSA-N -1 1 312.243 3.135 20 30 DGEDMM Cc1cc(C(F)(F)C(=O)[N-]C2(C#N)CCCC2)cnc1Cl ZINC000932017267 661529887 /nfs/dbraw/zinc/52/98/87/661529887.db2.gz TVGIVYNOZJJFAV-UHFFFAOYSA-N -1 1 313.735 3.088 20 30 DGEDMM COC(=O)c1ccc(/C=C/C(=O)c2cc(OC)ccc2[O-])cc1 ZINC000156692526 661864555 /nfs/dbraw/zinc/86/45/55/661864555.db2.gz DWJCNRDNTJRIAY-WEVVVXLNSA-N -1 1 312.321 3.084 20 30 DGEDMM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)oc1C ZINC001591906943 1192580488 /nfs/dbraw/zinc/58/04/88/1192580488.db2.gz QWQYEVXTCCANDN-HWKANZROSA-N -1 1 300.343 3.034 20 30 DGEDMM CCOc1cc(C(=O)[N-]c2cc3ccccc3cc2C#N)on1 ZINC001597229441 1192723826 /nfs/dbraw/zinc/72/38/26/1192723826.db2.gz DAURNLNIISJAQU-UHFFFAOYSA-N -1 1 307.309 3.350 20 30 DGEDMM CCSc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000588489110 1176495370 /nfs/dbraw/zinc/49/53/70/1176495370.db2.gz CVPRUPAFFMSURJ-PTZVLDCSSA-N -1 1 316.378 3.027 20 30 DGEDMM Cc1cc(F)cc2c1CN([C@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001600231448 1192814737 /nfs/dbraw/zinc/81/47/37/1192814737.db2.gz WTJYJNLPBZYAAO-SFHVURJKSA-N -1 1 324.355 3.190 20 30 DGEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccn1 ZINC001259118535 1178083320 /nfs/dbraw/zinc/08/33/20/1178083320.db2.gz RNGLNVMQZYOLOE-UHFFFAOYSA-N -1 1 315.398 3.052 20 30 DGEDMM Cc1oc(C=NNc2ncnc(Cl)c2C(C)C)cc1C(=O)[O-] ZINC001600838263 1192903935 /nfs/dbraw/zinc/90/39/35/1192903935.db2.gz PZQNFBXOFRLZSL-UHFFFAOYSA-N -1 1 322.752 3.299 20 30 DGEDMM N#CCC1(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001601063278 1192915150 /nfs/dbraw/zinc/91/51/50/1192915150.db2.gz YWEMHVAXXYRBSA-GFCCVEGCSA-N -1 1 313.184 3.403 20 30 DGEDMM N#Cc1c(CN2CCC[C@H](c3ccccn3)C2)cccc1C(=O)[O-] ZINC001601082442 1192916320 /nfs/dbraw/zinc/91/63/20/1192916320.db2.gz UTVSMWSHKWMGFN-HNNXBMFYSA-N -1 1 321.380 3.031 20 30 DGEDMM N#Cc1cccc([C@H](NCc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001601118842 1192919896 /nfs/dbraw/zinc/91/98/96/1192919896.db2.gz PAAVNMIBZYCXGA-HNNXBMFYSA-N -1 1 318.735 3.266 20 30 DGEDMM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001344004077 1179363176 /nfs/dbraw/zinc/36/31/76/1179363176.db2.gz JMQCQBQRRSTZKZ-SNVBAGLBSA-N -1 1 323.249 3.433 20 30 DGEDMM C=CC[C@H](NCc1cc(C(=O)[O-])c(CC)o1)c1ccncc1 ZINC001602842283 1192999609 /nfs/dbraw/zinc/99/96/09/1192999609.db2.gz MPWMICSYAMUGGA-HNNXBMFYSA-N -1 1 300.358 3.342 20 30 DGEDMM C=CCCC(C)(C)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001602832890 1192999615 /nfs/dbraw/zinc/99/96/15/1192999615.db2.gz AKOVTVQDIGRYSI-UHFFFAOYSA-N -1 1 316.365 3.179 20 30 DGEDMM C=CCCC(C)(C)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001602832890 1192999617 /nfs/dbraw/zinc/99/96/17/1192999617.db2.gz AKOVTVQDIGRYSI-UHFFFAOYSA-N -1 1 316.365 3.179 20 30 DGEDMM C=CCCCCC[N@H+](C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001602870754 1193001267 /nfs/dbraw/zinc/00/12/67/1193001267.db2.gz SNOBFFVSNOLZCS-UHFFFAOYSA-N -1 1 301.390 3.439 20 30 DGEDMM C=CCCCCCN(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001602870754 1193001270 /nfs/dbraw/zinc/00/12/70/1193001270.db2.gz SNOBFFVSNOLZCS-UHFFFAOYSA-N -1 1 301.390 3.439 20 30 DGEDMM C=CCOc1cccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC001602921718 1193002924 /nfs/dbraw/zinc/00/29/24/1193002924.db2.gz NMRTYOPFBCAZBC-UHFFFAOYSA-N -1 1 315.369 3.483 20 30 DGEDMM CCC(CC)CNN=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl ZINC001604025817 1193045459 /nfs/dbraw/zinc/04/54/59/1193045459.db2.gz PDORWCNZBFVCQG-UHFFFAOYSA-N -1 1 324.791 3.019 20 30 DGEDMM CCC(CC)CNN=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl ZINC001604025817 1193045462 /nfs/dbraw/zinc/04/54/62/1193045462.db2.gz PDORWCNZBFVCQG-UHFFFAOYSA-N -1 1 324.791 3.019 20 30 DGEDMM C[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccc(C#N)cc1 ZINC001604322561 1193064268 /nfs/dbraw/zinc/06/42/68/1193064268.db2.gz MUULPTIPFDHKJM-ZIAGYGMSSA-N -1 1 324.380 3.433 20 30 DGEDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CC#Cc1ccccc1Cl ZINC001604657406 1193087055 /nfs/dbraw/zinc/08/70/55/1193087055.db2.gz MUMRUJDCYDOCFJ-CHWSQXEVSA-N -1 1 305.805 3.265 20 30 DGEDMM CC[C@](NCc1cccc(F)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001605100823 1193113377 /nfs/dbraw/zinc/11/33/77/1193113377.db2.gz XVLWMGUIHSTCOE-GOSISDBHSA-N -1 1 312.344 3.177 20 30 DGEDMM N#CCc1cccc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001449706243 1182232897 /nfs/dbraw/zinc/23/28/97/1182232897.db2.gz CIGATFZQGILKJC-UHFFFAOYSA-N -1 1 300.745 3.293 20 30 DGEDMM N#Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3[O-])[nH]c2c1 ZINC001454326091 1182337759 /nfs/dbraw/zinc/33/77/59/1182337759.db2.gz GHRQEXMBCIPYBT-UHFFFAOYSA-N -1 1 312.716 3.046 20 30 DGEDMM COc1cccc([O-])c1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001455216765 1182364426 /nfs/dbraw/zinc/36/44/26/1182364426.db2.gz SPGSWKYQDICGEF-UHFFFAOYSA-N -1 1 308.337 3.402 20 30 DGEDMM N#CC1CCC(CSCc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001606344867 1193199165 /nfs/dbraw/zinc/19/91/65/1193199165.db2.gz VMSGUHILVNQXKF-UHFFFAOYSA-N -1 1 303.391 3.023 20 30 DGEDMM N#CC1CCC(CSCc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001606344867 1193199168 /nfs/dbraw/zinc/19/91/68/1193199168.db2.gz VMSGUHILVNQXKF-UHFFFAOYSA-N -1 1 303.391 3.023 20 30 DGEDMM N#Cc1cc(F)c(C(=O)NCc2cccc(Cl)c2[O-])c(F)c1 ZINC001606860152 1193206408 /nfs/dbraw/zinc/20/64/08/1193206408.db2.gz GONAQCNXPYZINT-UHFFFAOYSA-N -1 1 322.698 3.125 20 30 DGEDMM N#CCc1ccsc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001471700553 1183582522 /nfs/dbraw/zinc/58/25/22/1183582522.db2.gz ZVWOLZFPVOSYED-UHFFFAOYSA-N -1 1 306.774 3.103 20 30 DGEDMM C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc([O-])c(F)c1F ZINC001474516298 1183934022 /nfs/dbraw/zinc/93/40/22/1183934022.db2.gz HNKMMSFWOOYPQF-UHFFFAOYSA-N -1 1 323.339 3.334 20 30 DGEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001475330627 1183997857 /nfs/dbraw/zinc/99/78/57/1183997857.db2.gz AQEUIMXFLZIMNL-UHFFFAOYSA-N -1 1 323.245 3.269 20 30 DGEDMM C=C[C@@H](NCc1cc(-c2ccc(OC)cc2)cs1)C(=O)[O-] ZINC001609272636 1193332980 /nfs/dbraw/zinc/33/29/80/1193332980.db2.gz VMXASPMJWRUCPT-OAHLLOKOSA-N -1 1 303.383 3.153 20 30 DGEDMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(C#N)ccc1F ZINC001535455782 1187961441 /nfs/dbraw/zinc/96/14/41/1187961441.db2.gz URLKRVIWMACZLK-UHFFFAOYSA-N -1 1 313.210 3.265 20 30 DGEDMM C=CC[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccncc1 ZINC001617743361 1193579626 /nfs/dbraw/zinc/57/96/26/1193579626.db2.gz DTAIEQJBFAVHJM-INIZCTEOSA-N -1 1 319.364 3.383 20 30 DGEDMM C#CCOc1ccc(F)cc1NCc1cc(F)cc(F)c1[O-] ZINC001560361137 1189318246 /nfs/dbraw/zinc/31/82/46/1189318246.db2.gz LCEGLNRXHHZLQH-UHFFFAOYSA-N -1 1 307.271 3.434 20 30 DGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC001629719810 1194249208 /nfs/dbraw/zinc/24/92/08/1194249208.db2.gz OOIOXZRKLUJUER-AEFFLSMTSA-N -1 1 324.355 3.443 20 30 DGEDMM N#CCc1ccc(C(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC001633821572 1194458098 /nfs/dbraw/zinc/45/80/98/1194458098.db2.gz FQVSECUCORBAOS-UHFFFAOYSA-N -1 1 300.745 3.042 20 30 DGEDMM C=CCC[C@@H]1CCCN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001638645179 1194730125 /nfs/dbraw/zinc/73/01/25/1194730125.db2.gz CJZKARBNPPJBCI-GFCCVEGCSA-N -1 1 324.371 3.353 20 30 DGEDMM O=C([C@H]1OCCc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001641861993 1194875960 /nfs/dbraw/zinc/87/59/60/1194875960.db2.gz NUKFGFMBLRYWGI-INIZCTEOSA-N -1 1 317.772 3.372 20 30 DGEDMM CC1(C)C[C@]1(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001646334536 1195224169 /nfs/dbraw/zinc/22/41/69/1195224169.db2.gz WDADXFGLLVSXSJ-FQEVSTJZSA-N -1 1 320.392 3.362 20 30 DGEDMM C[C@@H](CCc1ccccc1F)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001648729283 1195326393 /nfs/dbraw/zinc/32/63/93/1195326393.db2.gz GXUKYAPBZUUIFJ-ZDUSSCGKSA-N -1 1 312.344 3.376 20 30 DGEDMM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cccc([O-])c1F ZINC001652290015 1195577032 /nfs/dbraw/zinc/57/70/32/1195577032.db2.gz QJEVQNHLCUXLNU-UHFFFAOYSA-N -1 1 312.344 3.154 20 30 DGEDMM CO[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001654814107 1195842628 /nfs/dbraw/zinc/84/26/28/1195842628.db2.gz MESCHPRLIRNGDT-OAHLLOKOSA-N -1 1 305.761 3.446 20 30 DGEDMM Cc1cccc2c1O[C@H](C(=O)N([O-])Cc1ccccc1Cl)C2 ZINC001654813733 1195842968 /nfs/dbraw/zinc/84/29/68/1195842968.db2.gz AIYXEQDHDRTWBS-HNNXBMFYSA-N -1 1 317.772 3.370 20 30 DGEDMM C=CCC1(NC(=O)NCCc2c(F)cc([O-])cc2F)CCCC1 ZINC001684341541 1199377662 /nfs/dbraw/zinc/37/76/62/1199377662.db2.gz DEDGNAQTGQHDFI-UHFFFAOYSA-N -1 1 324.371 3.401 20 30 DGEDMM C=C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001573316302 947271816 /nfs/dbraw/zinc/27/18/16/947271816.db2.gz VHUSAIBDODCZQG-NSHDSACASA-N -1 1 312.354 3.012 20 30 DGEDMM C=C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001573316302 947271826 /nfs/dbraw/zinc/27/18/26/947271826.db2.gz VHUSAIBDODCZQG-NSHDSACASA-N -1 1 312.354 3.012 20 30 DGEDMM O=C([O-])CC[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001595012067 951251421 /nfs/dbraw/zinc/25/14/21/951251421.db2.gz KDPJCVOJEVXFGA-MRXNPFEDSA-N -1 1 305.805 3.411 20 30 DGEDMM O=C([O-])CCC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC001595023558 951326852 /nfs/dbraw/zinc/32/68/52/951326852.db2.gz RPPQACBFAWRUPP-UHFFFAOYSA-N -1 1 305.805 3.268 20 30 DGEDMM C=C[C@H](NCc1ccc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588701319 983913731 /nfs/dbraw/zinc/91/37/31/983913731.db2.gz PXVWHDSYCOFXIJ-AWEZNQCLSA-N -1 1 303.383 3.153 20 30 DGEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(CO)c1 ZINC001589016441 984995659 /nfs/dbraw/zinc/99/56/59/984995659.db2.gz MZVPZUPYWWUADD-UHFFFAOYSA-N -1 1 318.760 3.367 20 30 DGEDMM Cc1[nH]c(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001599961861 985799141 /nfs/dbraw/zinc/79/91/41/985799141.db2.gz KAZLXBCOIWVYBL-UHFFFAOYSA-N -1 1 321.380 3.182 20 30 DGEDMM COc1cc(C#N)ccc1CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599348226 998047749 /nfs/dbraw/zinc/04/77/49/998047749.db2.gz UYGQNQDOSGYKGU-SFHVURJKSA-N -1 1 324.380 3.099 20 30 DGEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000088475849 1081599488 /nfs/dbraw/zinc/59/94/88/1081599488.db2.gz JGMZJXFLHQJUFV-ZCFIWIBFSA-N -1 1 312.700 3.013 20 30 DGEDMM Cc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)ccc1-n1cncn1 ZINC000588535282 1082573343 /nfs/dbraw/zinc/57/33/43/1082573343.db2.gz XPJQYRFSXNYTBT-VIZOYTHASA-N -1 1 317.348 3.104 20 30 DGEDMM N#Cc1ccc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001184762343 1084258988 /nfs/dbraw/zinc/25/89/88/1084258988.db2.gz YUCDMGFUFGCZJJ-UHFFFAOYSA-N -1 1 319.324 3.094 20 30 DGEDMM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1ccns1 ZINC001185720980 1084511271 /nfs/dbraw/zinc/51/12/71/1084511271.db2.gz KPPJJSAKHJVSJB-LBPRGKRZSA-N -1 1 304.481 3.418 20 30 DGEDMM N#Cc1cccc([O-])c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC001186687066 1084688591 /nfs/dbraw/zinc/68/85/91/1084688591.db2.gz QEQRACTYRPDWGZ-UHFFFAOYSA-N -1 1 311.385 3.354 20 30 DGEDMM CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001187330860 1084785609 /nfs/dbraw/zinc/78/56/09/1084785609.db2.gz CSCWQBWCSAVZSZ-UHFFFAOYSA-N -1 1 323.352 3.111 20 30 DGEDMM C#C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001299869608 1086112002 /nfs/dbraw/zinc/11/20/02/1086112002.db2.gz NWYLUBUCSRPVBX-MRXNPFEDSA-N -1 1 302.333 3.045 20 30 DGEDMM C[C@@H]1C[C@@H](O/C(=N\[O-])c2ccccc2Br)CCO1 ZINC001223885830 1087212643 /nfs/dbraw/zinc/21/26/43/1087212643.db2.gz LSWCUPDKFIFENL-OSGWWAHMSA-N -1 1 314.179 3.169 20 30 DGEDMM CC1(C)C[C@@H](CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)O1 ZINC001168459007 1087828117 /nfs/dbraw/zinc/82/81/17/1087828117.db2.gz CFNFOVVUOBXONA-QSEIOMAKSA-N -1 1 302.296 3.493 20 30 DGEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc2n[nH]cc2s1 ZINC001155553793 1089159409 /nfs/dbraw/zinc/15/94/09/1089159409.db2.gz KJAWUSRCPAUEBA-UHFFFAOYSA-N -1 1 304.281 3.027 20 30 DGEDMM Cc1ccc(C(=O)C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001649046253 1090575329 /nfs/dbraw/zinc/57/53/29/1090575329.db2.gz OXBXYVXNWBJZOO-UHFFFAOYSA-N -1 1 303.745 3.249 20 30 DGEDMM COC(=O)c1cc(C#N)cc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212491366 1090946847 /nfs/dbraw/zinc/94/68/47/1090946847.db2.gz QEWWAIGDGAGPQW-UHFFFAOYSA-N -1 1 304.252 3.072 20 30 DGEDMM C#CCN(Cc1ccccc1)C(=O)c1ncc2ccccc2c1[O-] ZINC001297621392 1091933003 /nfs/dbraw/zinc/93/30/03/1091933003.db2.gz GSUBOJBKHBRGAX-UHFFFAOYSA-N -1 1 316.360 3.216 20 30 DGEDMM C#Cc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001298093485 1092029957 /nfs/dbraw/zinc/02/99/57/1092029957.db2.gz 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/nfs/dbraw/zinc/85/14/90/628851490.db2.gz NDCHANNUNWEDOH-DUXPYHPUSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401014 628851491 /nfs/dbraw/zinc/85/14/91/628851491.db2.gz NDCHANNUNWEDOH-DUXPYHPUSA-N -1 1 318.308 3.103 20 30 DGEDMM CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000830906408 629319026 /nfs/dbraw/zinc/31/90/26/629319026.db2.gz LCOQJTKYHYBKEG-LSDHHAIUSA-N -1 1 321.469 3.292 20 30 DGEDMM [O-]c1cccc(C=NO[C@@H]2CCCCO2)c1Br ZINC000841634395 630450142 /nfs/dbraw/zinc/45/01/42/630450142.db2.gz YODRCOSGBXZYLZ-LLVKDONJSA-N -1 1 300.152 3.032 20 30 DGEDMM C[C@@H](NN=Cc1cccc([O-])c1Br)C(F)(F)F ZINC000841641624 630450498 /nfs/dbraw/zinc/45/04/98/630450498.db2.gz ZCTHDSOSMOUGMR-ZCFIWIBFSA-N -1 1 311.101 3.029 20 30 DGEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=CC1CC1 ZINC000845847171 631199082 /nfs/dbraw/zinc/19/90/82/631199082.db2.gz NBKAGIASBMPYSD-CDAZIORVSA-N -1 1 324.199 3.368 20 30 DGEDMM C=C[C@H](C)O[N-]C(=O)C1(Cc2ccccc2Br)CC1 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C=CCCCNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001602839857 1192999724 /nfs/dbraw/zinc/99/97/24/1192999724.db2.gz JDLCOHOOWHDNEQ-UHFFFAOYSA-N -1 1 322.372 3.432 20 30 DGEDMM C[C@@H](C#N)CN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CC1 ZINC001603129743 1193008450 /nfs/dbraw/zinc/00/84/50/1193008450.db2.gz MAMQQKUJTFAFIV-LBPRGKRZSA-N -1 1 324.380 3.368 20 30 DGEDMM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC001603826778 1193033207 /nfs/dbraw/zinc/03/32/07/1193033207.db2.gz MMFAEPBBWLQZFT-LMRAXHDRSA-N -1 1 308.366 3.312 20 30 DGEDMM C=CCCc1ccc(S(=O)(=O)[N-]c2[nH]nc(CC)c2C)cc1 ZINC001353353119 1180536895 /nfs/dbraw/zinc/53/68/95/1180536895.db2.gz FGZRSMXESGRYDR-UHFFFAOYSA-N -1 1 319.430 3.200 20 30 DGEDMM N#Cc1c([O-])csc1NC(=S)Nc1ccc(F)c(F)c1 ZINC001200684586 1180818199 /nfs/dbraw/zinc/81/81/99/1180818199.db2.gz JXAQMCKRXUVICP-UHFFFAOYSA-N -1 1 311.338 3.412 20 30 DGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001441123268 1182056395 /nfs/dbraw/zinc/05/63/95/1182056395.db2.gz 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[O-]/N=C/c1cc(NC[C@H]2CCCCO2)cc(C(F)(F)F)c1 ZINC001165241361 1090486205 /nfs/dbraw/zinc/48/62/05/1090486205.db2.gz RZHHFTXHEVMWKC-KMDAILJESA-N -1 1 302.296 3.495 20 30 DGEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000088475173 1092174350 /nfs/dbraw/zinc/17/43/50/1092174350.db2.gz ZPVZFZPOLHUJHP-LURJTMIESA-N -1 1 312.700 3.013 20 30 DGEDMM C=C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1 ZINC001149665312 1092720547 /nfs/dbraw/zinc/72/05/47/1092720547.db2.gz WPOHHFTYKHEFNS-QGZVFWFLSA-N -1 1 319.364 3.486 20 30 DGEDMM CN(CCc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC001150424000 1092780513 /nfs/dbraw/zinc/78/05/13/1092780513.db2.gz RYYJCERXWGYGAG-UHFFFAOYSA-N -1 1 314.772 3.232 20 30 DGEDMM N#Cc1ccc(NC(=O)c2cc3c[nH]c(Cl)cc-3n2)c([O-])c1 ZINC001151416476 1092896788 /nfs/dbraw/zinc/89/67/88/1092896788.db2.gz YOYMDTBTEABXSZ-UHFFFAOYSA-N -1 1 312.716 3.046 20 30 DGEDMM CC(=O)c1cc(-c2nc(-c3cc(F)cc(C#N)c3)no2)ccc1[O-] ZINC001215365303 1093969384 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CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427103529 433650626 /nfs/dbraw/zinc/65/06/26/433650626.db2.gz KHVAQPPVVNFDSK-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427104328 433651564 /nfs/dbraw/zinc/65/15/64/433651564.db2.gz NEPUKMPRTWQALH-UHFFFAOYSA-N -1 1 322.386 3.220 20 30 DGEDMM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(O)c(Cl)c1 ZINC000436565709 434009224 /nfs/dbraw/zinc/00/92/24/434009224.db2.gz UOBKQWHKRXVTKD-RJRFIUFISA-N -1 1 300.701 3.181 20 30 DGEDMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(C#N)cc1 ZINC000436720123 434082115 /nfs/dbraw/zinc/08/21/15/434082115.db2.gz DMLCVVOICXWHQL-SNVBAGLBSA-N -1 1 300.745 3.408 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1[O-] ZINC000437395883 434256738 /nfs/dbraw/zinc/25/67/38/434256738.db2.gz WHTHKUNSOPFFJR-KOMQPUFPSA-N -1 1 310.328 3.079 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(OC)c(Cl)c1 ZINC000416948169 434257837 /nfs/dbraw/zinc/25/78/37/434257837.db2.gz 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CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCO1 ZINC000331265432 528395371 /nfs/dbraw/zinc/39/53/71/528395371.db2.gz HJXKIOMSTANEMC-HUUCEWRRSA-N -1 1 302.374 3.162 20 30 DGEDMM CCc1nn(C)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000092693979 545849200 /nfs/dbraw/zinc/84/92/00/545849200.db2.gz JRYDZKVQRDBYCH-CYBMUJFWSA-N -1 1 304.353 3.021 20 30 DGEDMM [O-]c1c(Br)cccc1C=NNc1ccc(F)cn1 ZINC000731319071 574546811 /nfs/dbraw/zinc/54/68/11/574546811.db2.gz RGCGNBPVMLQYHC-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM C#CCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000733200499 574607268 /nfs/dbraw/zinc/60/72/68/574607268.db2.gz FFIYNBKLRANARR-UHFFFAOYSA-N -1 1 308.337 3.233 20 30 DGEDMM C=CCCCCCN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735408598 574701272 /nfs/dbraw/zinc/70/12/72/574701272.db2.gz PKZHWSXAYKBUKI-UHFFFAOYSA-N -1 1 306.801 3.098 20 30 DGEDMM C=CCCCCCN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735408598 574701273 /nfs/dbraw/zinc/70/12/73/574701273.db2.gz PKZHWSXAYKBUKI-UHFFFAOYSA-N -1 1 306.801 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COc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc1F ZINC000915988781 620612029 /nfs/dbraw/zinc/61/20/29/620612029.db2.gz HKJZDLGZMOZGEY-VIZOYTHASA-N -1 1 300.285 3.465 20 30 DGEDMM CC(=O)Nc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc1 ZINC000915989073 620612065 /nfs/dbraw/zinc/61/20/65/620612065.db2.gz WZKFGTVRTOBPCN-PXNMLYILSA-N -1 1 309.321 3.275 20 30 DGEDMM CCCOc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000916241508 620622144 /nfs/dbraw/zinc/62/21/44/620622144.db2.gz GVLWSYHQBGQHNL-UHFFFAOYSA-N -1 1 300.362 3.116 20 30 DGEDMM CCCC(=NNc1nc(C)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000916241695 620622362 /nfs/dbraw/zinc/62/23/62/620622362.db2.gz ORXYKHQYRGPBIV-UHFFFAOYSA-N -1 1 315.333 3.015 20 30 DGEDMM C=CCC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCCC1 ZINC000838151260 621218214 /nfs/dbraw/zinc/21/82/14/621218214.db2.gz CATJVTBDJHXQQL-UHFFFAOYSA-N -1 1 318.369 3.350 20 30 DGEDMM CCC[C@H](C)C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755726677 621588539 /nfs/dbraw/zinc/58/85/39/621588539.db2.gz 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O=C(/C=C\c1ccc([O-])c(F)c1)c1cnnn1-c1ccccc1 ZINC000821008937 628325263 /nfs/dbraw/zinc/32/52/63/628325263.db2.gz UXLYHOSNMVVVAP-CLFYSBASSA-N -1 1 309.300 3.008 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1F ZINC000822922736 628509252 /nfs/dbraw/zinc/50/92/52/628509252.db2.gz IWUISHJDJVNEOJ-DJWKRKHSSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc(F)ccc1F ZINC000822922312 628509689 /nfs/dbraw/zinc/50/96/89/628509689.db2.gz FMGQVLZDRZYPPB-GORDUTHDSA-N -1 1 318.308 3.103 20 30 DGEDMM C=CCOc1ccccc1CNCc1ccc(NC(=O)[O-])nc1 ZINC000823516554 628571991 /nfs/dbraw/zinc/57/19/91/628571991.db2.gz ONKRPWUIDKOQJP-UHFFFAOYSA-N -1 1 313.357 3.026 20 30 DGEDMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824754667 628689452 /nfs/dbraw/zinc/68/94/52/628689452.db2.gz JFJTTXOIGZBVCH-LLVKDONJSA-N -1 1 322.397 3.128 20 30 DGEDMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824754667 628689453 /nfs/dbraw/zinc/68/94/53/628689453.db2.gz JFJTTXOIGZBVCH-LLVKDONJSA-N -1 1 322.397 3.128 20 30 DGEDMM C[C@H](NC(=O)[O-])C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000825289312 628746531 /nfs/dbraw/zinc/74/65/31/628746531.db2.gz XIHQJAOLMIOBTB-ZDUSSCGKSA-N -1 1 320.820 3.060 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000825491828 628767695 /nfs/dbraw/zinc/76/76/95/628767695.db2.gz JURUZYABDTXDRG-SMDDNHRTSA-N -1 1 324.302 3.138 20 30 DGEDMM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000825705135 628788199 /nfs/dbraw/zinc/78/81/99/628788199.db2.gz WTFHUTHKCQARJN-AATRIKPKSA-N -1 1 316.411 3.448 20 30 DGEDMM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000825705135 628788203 /nfs/dbraw/zinc/78/82/03/628788203.db2.gz WTFHUTHKCQARJN-AATRIKPKSA-N -1 1 316.411 3.448 20 30 DGEDMM CC(=NNc1cc(C)ccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC000825804626 628799480 /nfs/dbraw/zinc/79/94/80/628799480.db2.gz PRVDGCMNINIZIJ-UHFFFAOYSA-N -1 1 316.332 3.434 20 30 DGEDMM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400379 628851080 /nfs/dbraw/zinc/85/10/80/628851080.db2.gz XYJCQYQXHWRAEL-UPHRSURJSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400379 628851084 /nfs/dbraw/zinc/85/10/84/628851084.db2.gz XYJCQYQXHWRAEL-UPHRSURJSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400094 628851258 /nfs/dbraw/zinc/85/12/58/628851258.db2.gz OVEJLOLCZQTGDQ-ZZXKWVIFSA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400094 628851261 /nfs/dbraw/zinc/85/12/61/628851261.db2.gz OVEJLOLCZQTGDQ-ZZXKWVIFSA-N -1 1 316.773 3.478 20 30 DGEDMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC000827716903 628984952 /nfs/dbraw/zinc/98/49/52/628984952.db2.gz BWOLLECPMXPVNO-HWPZZCPQSA-N -1 1 316.307 3.313 20 30 DGEDMM CCCCCCCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830834047 629310054 /nfs/dbraw/zinc/31/00/54/629310054.db2.gz WIUBDRIGHZEMMY-CQSZACIVSA-N -1 1 322.371 3.016 20 30 DGEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1cccc(Cl)c1F ZINC000833406091 629599954 /nfs/dbraw/zinc/59/99/54/629599954.db2.gz LOHGDLOISROEGT-SECBINFHSA-N -1 1 309.728 3.372 20 30 DGEDMM CCCn1nc(C)c(C=NNc2ccc(C(=O)[O-])cc2F)c1C ZINC000835012802 629822434 /nfs/dbraw/zinc/82/24/34/629822434.db2.gz VHRVVRGKSMSPGW-UHFFFAOYSA-N -1 1 318.352 3.193 20 30 DGEDMM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000842942277 630597061 /nfs/dbraw/zinc/59/70/61/630597061.db2.gz IFUKZDRZRYXTIA-ONGXEEELSA-N -1 1 320.414 3.175 20 30 DGEDMM CCCCCCCCCS(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000844825870 630918866 /nfs/dbraw/zinc/91/88/66/630918866.db2.gz PYMAYDPWZABPSY-UHFFFAOYSA-N -1 1 309.435 3.446 20 30 DGEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=CC1CC1 ZINC000845847174 631199057 /nfs/dbraw/zinc/19/90/57/631199057.db2.gz NBKAGIASBMPYSD-ZBJFTSOASA-N -1 1 324.199 3.368 20 30 DGEDMM C=C[C@@H](C)O[N-]C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000846550081 631259181 /nfs/dbraw/zinc/25/91/81/631259181.db2.gz RJRLBUOFPSEWRB-PELKAZGASA-N -1 1 304.173 3.039 20 30 DGEDMM CC(C)C[C@H]1CCCC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000794512545 661088523 /nfs/dbraw/zinc/08/85/23/661088523.db2.gz XYVMCOKATVRCEJ-LLVKDONJSA-N -1 1 316.409 3.073 20 30 DGEDMM CCOC(=O)c1scnc1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000794941564 661115147 /nfs/dbraw/zinc/11/51/47/661115147.db2.gz RBYLSBYMVRFSAU-ALCCZGGFSA-N -1 1 317.366 3.230 20 30 DGEDMM O=C(/C=C/c1ccnn1-c1ccc(F)cc1)c1cc(O)ccc1[O-] ZINC000794941163 661115316 /nfs/dbraw/zinc/11/53/16/661115316.db2.gz JMYWWJNFXXMIMC-FNORWQNLSA-N -1 1 324.311 3.319 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cccnc1 ZINC000255063752 655589021 /nfs/dbraw/zinc/58/90/21/655589021.db2.gz OOVWHAITJQBDHB-HYXAFXHYSA-N -1 1 304.143 3.446 20 30 DGEDMM O=C(/C=C\c1ccn(-c2ccccc2)n1)c1cc(O)ccc1[O-] ZINC000255694731 655890366 /nfs/dbraw/zinc/89/03/66/655890366.db2.gz UMZUREQIBAWZEE-VURMDHGXSA-N -1 1 306.321 3.180 20 30 DGEDMM CCOc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1O ZINC000299730284 656221811 /nfs/dbraw/zinc/22/18/11/656221811.db2.gz QWTNXHVLDCFGEV-UTCJRWHESA-N -1 1 300.310 3.098 20 30 DGEDMM C[C@@]1(C#N)CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897373750 658016366 /nfs/dbraw/zinc/01/63/66/658016366.db2.gz HATJFIMPQUSOJA-SFHVURJKSA-N -1 1 310.353 3.017 20 30 DGEDMM C=CC[C@@H]1CCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000932060457 661534331 /nfs/dbraw/zinc/53/43/31/661534331.db2.gz QASBVTDLDCDZTL-CYBMUJFWSA-N -1 1 312.373 3.008 20 30 DGEDMM C=C(C)c1cccc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001588442922 1192447242 /nfs/dbraw/zinc/44/72/42/1192447242.db2.gz SPFMTRTVWCCNSZ-UHFFFAOYSA-N -1 1 319.372 3.311 20 30 DGEDMM C=C(C)c1cccc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001588442922 1192447244 /nfs/dbraw/zinc/44/72/44/1192447244.db2.gz SPFMTRTVWCCNSZ-UHFFFAOYSA-N -1 1 319.372 3.311 20 30 DGEDMM C=CC[C@@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC001588559044 1192450225 /nfs/dbraw/zinc/45/02/25/1192450225.db2.gz GWMNPCYLRRQWHY-SNVBAGLBSA-N -1 1 315.381 3.122 20 30 DGEDMM C=CC[C@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC001588559043 1192450302 /nfs/dbraw/zinc/45/03/02/1192450302.db2.gz GWMNPCYLRRQWHY-JTQLQIEISA-N -1 1 315.381 3.122 20 30 DGEDMM C=CCCCCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588594200 1192451396 /nfs/dbraw/zinc/45/13/96/1192451396.db2.gz PQCIQHBNYZRVMM-UHFFFAOYSA-N -1 1 316.365 3.323 20 30 DGEDMM C=CCCCCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588594200 1192451397 /nfs/dbraw/zinc/45/13/97/1192451397.db2.gz PQCIQHBNYZRVMM-UHFFFAOYSA-N -1 1 316.365 3.323 20 30 DGEDMM N#Cc1c(F)cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC001596819876 1192706393 /nfs/dbraw/zinc/70/63/93/1192706393.db2.gz OYZIIINSFVKFFO-UHFFFAOYSA-N -1 1 308.671 3.448 20 30 DGEDMM CC(C)CN(CCC#N)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001597774563 1192746835 /nfs/dbraw/zinc/74/68/35/1192746835.db2.gz LHKBFOTYKWZUTP-UHFFFAOYSA-N -1 1 314.307 3.423 20 30 DGEDMM C#Cc1ccccc1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001598590768 1192777476 /nfs/dbraw/zinc/77/74/76/1192777476.db2.gz JADOLYPJZUIAHO-UHFFFAOYSA-N -1 1 303.720 3.347 20 30 DGEDMM Cc1cc(F)cc2c1CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001600231447 1192815857 /nfs/dbraw/zinc/81/58/57/1192815857.db2.gz WTJYJNLPBZYAAO-GOSISDBHSA-N -1 1 324.355 3.190 20 30 DGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc3cccccc-3c2)c1 ZINC001259118323 1178083064 /nfs/dbraw/zinc/08/30/64/1178083064.db2.gz LSFASAUCYQIXOS-UHFFFAOYSA-N -1 1 308.362 3.464 20 30 DGEDMM Cc1oc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001600845068 1192903735 /nfs/dbraw/zinc/90/37/35/1192903735.db2.gz FHWVMOJOZLUQCZ-UHFFFAOYSA-N -1 1 322.364 3.447 20 30 DGEDMM N#Cc1ccc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])o1 ZINC001601099824 1192918330 /nfs/dbraw/zinc/91/83/30/1192918330.db2.gz CXOISZPQNKQNRC-CZUORRHYSA-N -1 1 302.374 3.007 20 30 DGEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1cccc(F)n1 ZINC001342561556 1179153255 /nfs/dbraw/zinc/15/32/55/1179153255.db2.gz KADPHJDRFUBZLA-VIFPVBQESA-N -1 1 309.222 3.125 20 30 DGEDMM O=C([O-])c1c(F)cccc1N=NCc1ccn(-c2ccccc2)n1 ZINC001602231246 1192964058 /nfs/dbraw/zinc/96/40/58/1192964058.db2.gz URRGGJOBQYHJGR-UHFFFAOYSA-N -1 1 324.315 3.156 20 30 DGEDMM O=C([O-])c1ccc(N=NCc2scnc2C2CC2)c(F)c1 ZINC001602382717 1192976276 /nfs/dbraw/zinc/97/62/76/1192976276.db2.gz YHSIPDJRJNVHSJ-UHFFFAOYSA-N -1 1 305.334 3.304 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1cnc(CC(C)C)s1 ZINC001349701658 1179935421 /nfs/dbraw/zinc/93/54/21/1179935421.db2.gz IHHYCYLZMIHLQX-NSHDSACASA-N -1 1 302.403 3.048 20 30 DGEDMM C=C(Br)CN[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001602744953 1192995653 /nfs/dbraw/zinc/99/56/53/1192995653.db2.gz UEWCWKLCEYXJPV-ZDUSSCGKSA-N -1 1 316.170 3.014 20 30 DGEDMM C=C(CC)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602772373 1192996789 /nfs/dbraw/zinc/99/67/89/1192996789.db2.gz VWTLMEAELMHDKR-INIZCTEOSA-N -1 1 322.836 3.050 20 30 DGEDMM C=C(C)CCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC001602758438 1192996970 /nfs/dbraw/zinc/99/69/70/1192996970.db2.gz ICHHLAIBKOYFDB-UHFFFAOYSA-N -1 1 322.372 3.432 20 30 DGEDMM C=CC(C)(C)CCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001602786998 1192997645 /nfs/dbraw/zinc/99/76/45/1192997645.db2.gz UKYSNWSVMJGBLI-UHFFFAOYSA-N -1 1 322.394 3.241 20 30 DGEDMM C=CC(C)(C)CCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001602786998 1192997652 /nfs/dbraw/zinc/99/76/52/1192997652.db2.gz UKYSNWSVMJGBLI-UHFFFAOYSA-N -1 1 322.394 3.241 20 30 DGEDMM C=CCCCCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001602837990 1192999517 /nfs/dbraw/zinc/99/95/17/1192999517.db2.gz LGDZDGLHNVHZLW-UHFFFAOYSA-N -1 1 322.394 3.385 20 30 DGEDMM C=CCCCCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001602837990 1192999519 /nfs/dbraw/zinc/99/95/19/1192999519.db2.gz LGDZDGLHNVHZLW-UHFFFAOYSA-N -1 1 322.394 3.385 20 30 DGEDMM C=CCCC[N@H+](CC)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001602874876 1193001253 /nfs/dbraw/zinc/00/12/53/1193001253.db2.gz HFRCOWXRPKROLF-CYBMUJFWSA-N -1 1 306.406 3.189 20 30 DGEDMM C=CCCCN(CC)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001602874876 1193001255 /nfs/dbraw/zinc/00/12/55/1193001255.db2.gz HFRCOWXRPKROLF-CYBMUJFWSA-N -1 1 306.406 3.189 20 30 DGEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc(C)cc1O ZINC001602992419 1193005503 /nfs/dbraw/zinc/00/55/03/1193005503.db2.gz ZQBDUCVWINKGSB-UHFFFAOYSA-N -1 1 302.305 3.374 20 30 DGEDMM CCCCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604176852 1193059225 /nfs/dbraw/zinc/05/92/25/1193059225.db2.gz ZCXLXITYYRTJSM-UHFFFAOYSA-N -1 1 321.450 3.295 20 30 DGEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001300735294 1180920074 /nfs/dbraw/zinc/92/00/74/1180920074.db2.gz DLCSZDUSZMAFES-XJKSGUPXSA-N -1 1 301.386 3.378 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCc3c(F)cccc32)cc1[O-] ZINC001450490331 1182250272 /nfs/dbraw/zinc/25/02/72/1182250272.db2.gz VIZPBPBSWBHBRC-MRXNPFEDSA-N -1 1 310.328 3.210 20 30 DGEDMM N#CCc1cccc(C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001455441116 1182370090 /nfs/dbraw/zinc/37/00/90/1182370090.db2.gz OMLBQCTUDAXNOE-UHFFFAOYSA-N -1 1 300.745 3.042 20 30 DGEDMM N#Cc1cccc(NCc2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC001472869704 1183693172 /nfs/dbraw/zinc/69/31/72/1183693172.db2.gz NCRXKVLUPZRVNH-UHFFFAOYSA-N -1 1 303.705 3.438 20 30 DGEDMM N#Cc1ccc(C2(NCc3ccc(/C=C\C(=O)[O-])o3)CCC2)cc1 ZINC001608204045 1193283320 /nfs/dbraw/zinc/28/33/20/1193283320.db2.gz QDQBHUOZFSUHTA-HJWRWDBZSA-N -1 1 322.364 3.418 20 30 DGEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc2n[nH]cc2c1 ZINC001609556857 1193344295 /nfs/dbraw/zinc/34/42/95/1193344295.db2.gz MZQFIUFLECKQST-UHFFFAOYSA-N -1 1 312.304 3.236 20 30 DGEDMM CCCc1nc(C)cc(OCc2ccccc2C#N)c1C(=O)[O-] ZINC001609987147 1193370865 /nfs/dbraw/zinc/37/08/65/1193370865.db2.gz XJGSNQMAJUDTKD-UHFFFAOYSA-N -1 1 310.353 3.491 20 30 DGEDMM O=C([O-])C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C1CC1 ZINC001610752223 1193407050 /nfs/dbraw/zinc/40/70/50/1193407050.db2.gz QZIQXPPEQIPEIX-JHJXWGGOSA-N -1 1 302.157 3.371 20 30 DGEDMM Cc1c(Br)scc1C([O-])=C(C#N)c1nccn1C ZINC001515837681 1186772248 /nfs/dbraw/zinc/77/22/48/1186772248.db2.gz QKAQTQIEZYKILG-MRVPVSSYSA-N -1 1 324.203 3.043 20 30 DGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001544303958 1188387294 /nfs/dbraw/zinc/38/72/94/1188387294.db2.gz QHDNFQCQBUTTQZ-SECBINFHSA-N -1 1 300.280 3.033 20 30 DGEDMM C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001557587180 1189074190 /nfs/dbraw/zinc/07/41/90/1189074190.db2.gz VCCFAOMWGZTCMH-MRXNPFEDSA-N -1 1 305.761 3.464 20 30 DGEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001618411325 1193738267 /nfs/dbraw/zinc/73/82/67/1193738267.db2.gz QYNZQDBYEHBZFP-SGTLLEGYSA-N -1 1 309.369 3.143 20 30 DGEDMM CC(C)(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC001622035273 1193881342 /nfs/dbraw/zinc/88/13/42/1193881342.db2.gz QRTQZZQQNOLISK-OLZOCXBDSA-N -1 1 324.446 3.425 20 30 DGEDMM C=CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC001628148716 1194163268 /nfs/dbraw/zinc/16/32/68/1194163268.db2.gz QDNCREMKVRLRKN-AWEZNQCLSA-N -1 1 302.761 3.488 20 30 DGEDMM N#CCCN(C(=O)c1ccc(F)c([O-])c1)c1ccc(F)cc1 ZINC001628161362 1194163805 /nfs/dbraw/zinc/16/38/05/1194163805.db2.gz JCJSRSRCRJYNFW-UHFFFAOYSA-N -1 1 302.280 3.231 20 30 DGEDMM C#Cc1ccc(C(=O)Nc2ccc(Br)c([O-])c2)cc1 ZINC001632992987 1194415138 /nfs/dbraw/zinc/41/51/38/1194415138.db2.gz RPLRQDIONSQUBF-UHFFFAOYSA-N -1 1 316.154 3.388 20 30 DGEDMM Cc1cc(C(=O)NCc2ccc([O-])c(Cl)c2)cc(C)c1C#N ZINC001633821608 1194458353 /nfs/dbraw/zinc/45/83/53/1194458353.db2.gz GWNKAWDAQLLOJA-UHFFFAOYSA-N -1 1 314.772 3.464 20 30 DGEDMM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc([O-])c(F)c1F ZINC001635379265 1194548416 /nfs/dbraw/zinc/54/84/16/1194548416.db2.gz KPWZJMMVWHTIGO-UHFFFAOYSA-N -1 1 316.307 3.340 20 30 DGEDMM C#CCN(C(=O)c1ncc(C)cc1[O-])[C@H]1CCCc2ccccc21 ZINC001645389624 1195180132 /nfs/dbraw/zinc/18/01/32/1195180132.db2.gz FCHDLBYRIPNLSV-KRWDZBQOSA-N -1 1 320.392 3.249 20 30 DGEDMM CC(C)Cc1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001646328649 1195223264 /nfs/dbraw/zinc/22/32/64/1195223264.db2.gz ZPYVNZFIWYVMCQ-UHFFFAOYSA-N -1 1 308.381 3.392 20 30 DGEDMM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001648729386 1195326353 /nfs/dbraw/zinc/32/63/53/1195326353.db2.gz 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UWBJQRJXYMUUAS-VIFPVBQESA-N -1 1 304.400 3.042 20 30 DGEDMM CSCc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000588048086 400183175 /nfs/dbraw/zinc/18/31/75/400183175.db2.gz XDTAZKDEJDOVHY-UHFFFAOYSA-N -1 1 312.394 3.057 20 30 DGEDMM CC(C)N(Cc1cccs1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000600827143 400165836 /nfs/dbraw/zinc/16/58/36/400165836.db2.gz SYEGISOHPQLLTF-UHFFFAOYSA-N -1 1 300.383 3.376 20 30 DGEDMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(C#N)c1 ZINC000610366513 400250896 /nfs/dbraw/zinc/25/08/96/400250896.db2.gz HKTIEQDJKZDMKW-JTQLQIEISA-N -1 1 300.745 3.408 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000589169033 400267013 /nfs/dbraw/zinc/26/70/13/400267013.db2.gz TXBUGLBJRSWQHQ-UHFFFAOYSA-N -1 1 322.242 3.257 20 30 DGEDMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589190922 400271480 /nfs/dbraw/zinc/27/14/80/400271480.db2.gz ZYGBCIMREFWWMD-NSHDSACASA-N -1 1 310.328 3.162 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccccc2)C(F)F)c1 ZINC000590472019 400387889 /nfs/dbraw/zinc/38/78/89/400387889.db2.gz XZDKMMYWMIMHLN-CQSZACIVSA-N -1 1 302.280 3.000 20 30 DGEDMM N#Cc1cc(Cl)c(C(=O)Nc2ncccc2[O-])c(Cl)c1 ZINC000611989488 400470694 /nfs/dbraw/zinc/47/06/94/400470694.db2.gz JJAPIJBFKOKJTF-UHFFFAOYSA-N -1 1 308.124 3.218 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)cc(C(F)(F)F)c1 ZINC000591339143 400511833 /nfs/dbraw/zinc/51/18/33/400511833.db2.gz KJUPLOMXRPQUDY-NSHDSACASA-N -1 1 306.309 3.058 20 30 DGEDMM CCOc1cc(C(=O)N[C@H](C#N)CC(C)C)cc(Cl)c1[O-] ZINC000613019232 400643103 /nfs/dbraw/zinc/64/31/03/400643103.db2.gz OLDDLIYEKRQSOD-NSHDSACASA-N -1 1 310.781 3.112 20 30 DGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000613445598 400722492 /nfs/dbraw/zinc/72/24/92/400722492.db2.gz CJBCLDCJNFZGMS-UHFFFAOYSA-N -1 1 312.344 3.455 20 30 DGEDMM N#Cc1ccc(CN(C(=O)c2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000613447632 400723372 /nfs/dbraw/zinc/72/33/72/400723372.db2.gz GXUKIDWTHJDGOD-UHFFFAOYSA-N -1 1 310.328 3.208 20 30 DGEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Cl ZINC000619141280 400780845 /nfs/dbraw/zinc/78/08/45/400780845.db2.gz YXIYEMQMCCJIKW-UHFFFAOYSA-N -1 1 302.717 3.178 20 30 DGEDMM CN(Cc1nc2ccccc2s1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293080 400870767 /nfs/dbraw/zinc/87/07/67/400870767.db2.gz USFSCHFZYABXFR-UHFFFAOYSA-N -1 1 323.377 3.146 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000614292989 400871245 /nfs/dbraw/zinc/87/12/45/400871245.db2.gz MDLQVCOOUCUGFP-UHFFFAOYSA-N -1 1 304.252 3.118 20 30 DGEDMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614372220 400887912 /nfs/dbraw/zinc/88/79/12/400887912.db2.gz GVVDXTOMNBNRGG-ADLMAVQZSA-N -1 1 324.355 3.456 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000619463348 400851875 /nfs/dbraw/zinc/85/18/75/400851875.db2.gz LVECARGRBWBOFV-UHFFFAOYSA-N -1 1 323.377 3.102 20 30 DGEDMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614369208 400887089 /nfs/dbraw/zinc/88/70/89/400887089.db2.gz KKFBYDFVSYCUOQ-SFHVURJKSA-N -1 1 320.392 3.420 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000615144609 401015218 /nfs/dbraw/zinc/01/52/18/401015218.db2.gz HDLZACYFIFSJOW-YJBOKZPZSA-N -1 1 320.392 3.405 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2ccn(C(F)F)c2c1 ZINC000594699736 401153944 /nfs/dbraw/zinc/15/39/44/401153944.db2.gz BJAYGSLNFWWITO-LLVKDONJSA-N -1 1 313.329 3.080 20 30 DGEDMM Cn1cc(/C=C/C(=O)c2ccc([O-])cc2)c(-c2ccncc2)n1 ZINC000063274719 401186713 /nfs/dbraw/zinc/18/67/13/401186713.db2.gz PGYHJRZAHCPFCW-QPJJXVBHSA-N -1 1 305.337 3.084 20 30 DGEDMM N#CC(=C([O-])c1cnc2n1CCCCC2)c1nc2ccccc2o1 ZINC000621707220 401278748 /nfs/dbraw/zinc/27/87/48/401278748.db2.gz PQFLUIQOFYKAND-LBPRGKRZSA-N -1 1 320.352 3.241 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[O-] ZINC000189760332 165176594 /nfs/dbraw/zinc/17/65/94/165176594.db2.gz FXEFHPIJPQBCMP-UHFFFAOYSA-N -1 1 320.392 3.359 20 30 DGEDMM CC(C)c1ccc(OCCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190658044 432179981 /nfs/dbraw/zinc/17/99/81/432179981.db2.gz KYDVVTJBFRNITI-UHFFFAOYSA-N -1 1 324.380 3.196 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)c1 ZINC000169251565 228267178 /nfs/dbraw/zinc/26/71/78/228267178.db2.gz PMDWZPZLMJCHRY-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1ccc(Br)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354481920 229298358 /nfs/dbraw/zinc/29/83/58/229298358.db2.gz ZDLDUZZKNNVDJK-GFCCVEGCSA-N -1 1 316.158 3.038 20 30 DGEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)cc1[O-] ZINC000190074244 268036935 /nfs/dbraw/zinc/03/69/35/268036935.db2.gz RNMWDPHJELEIRR-MRXNPFEDSA-N -1 1 306.365 3.114 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)F)cc1[O-] ZINC000351508651 268044283 /nfs/dbraw/zinc/04/42/83/268044283.db2.gz GCWGNCFDJVSSPH-AWEZNQCLSA-N -1 1 302.280 3.000 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C(F)F)cc1[O-] ZINC000351508662 268045154 /nfs/dbraw/zinc/04/51/54/268045154.db2.gz GCWGNCFDJVSSPH-CQSZACIVSA-N -1 1 302.280 3.000 20 30 DGEDMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443059954 278389241 /nfs/dbraw/zinc/38/92/41/278389241.db2.gz DSABICGLJGSZIT-SGTLLEGYSA-N -1 1 306.365 3.317 20 30 DGEDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007402830 431347937 /nfs/dbraw/zinc/34/79/37/431347937.db2.gz JEZRSGNHBUBXKS-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000114673358 431403454 /nfs/dbraw/zinc/40/34/54/431403454.db2.gz ZOKDPWRRIBQIFQ-UHFFFAOYSA-N -1 1 311.366 3.149 20 30 DGEDMM Cc1cccc(O[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000078379954 431663093 /nfs/dbraw/zinc/66/30/93/431663093.db2.gz NTYJPXMXUPKBBI-MRVPVSSYSA-N -1 1 314.267 3.187 20 30 DGEDMM O=C(Cc1c(F)cccc1Cl)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036714180 431840825 /nfs/dbraw/zinc/84/08/25/431840825.db2.gz RGZIDWVQHWFFQW-UHFFFAOYSA-N -1 1 322.649 3.447 20 30 DGEDMM N#CC1(NC(=O)c2ccc(Br)cc2[O-])CCCCC1 ZINC000044483912 431874054 /nfs/dbraw/zinc/87/40/54/431874054.db2.gz RUCIOJJFUSRIDE-UHFFFAOYSA-N 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IOQBIOIRVLOCMS-UHFFFAOYSA-N -1 1 323.447 3.204 20 30 DGEDMM CC(=O)c1cc(Cl)cc(CN2CCC(C)(C#N)CC2)c1[O-] ZINC000272608409 432532001 /nfs/dbraw/zinc/53/20/01/432532001.db2.gz RYPNTHYMVKZXJA-UHFFFAOYSA-N -1 1 306.793 3.374 20 30 DGEDMM CCOc1cc(C(=O)N2CCC(C)(C#N)CC2)cc(Cl)c1[O-] ZINC000273870620 432632243 /nfs/dbraw/zinc/63/22/43/432632243.db2.gz PYTJSVNBNRTOTD-UHFFFAOYSA-N -1 1 322.792 3.210 20 30 DGEDMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000188366758 432720647 /nfs/dbraw/zinc/72/06/47/432720647.db2.gz NJUVLJCHXFHTJE-AWEZNQCLSA-N -1 1 308.381 3.242 20 30 DGEDMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000188366738 432720931 /nfs/dbraw/zinc/72/09/31/432720931.db2.gz NJUVLJCHXFHTJE-CQSZACIVSA-N -1 1 308.381 3.242 20 30 DGEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000188372332 432722406 /nfs/dbraw/zinc/72/24/06/432722406.db2.gz DLFQHUOYVPWHQN-CYBMUJFWSA-N -1 1 319.364 3.359 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1[O-] ZINC000188462772 432727635 /nfs/dbraw/zinc/72/76/35/432727635.db2.gz MYJWLLKYOUSAAT-CRAIPNDOSA-N -1 1 320.392 3.405 20 30 DGEDMM Cc1cccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000188554960 432732777 /nfs/dbraw/zinc/73/27/77/432732777.db2.gz WRKBZYURUDRCAY-INIZCTEOSA-N -1 1 309.369 3.094 20 30 DGEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Sc1ccccc1 ZINC000188581280 432733959 /nfs/dbraw/zinc/73/39/59/432733959.db2.gz KOHFVIRYHNZGPT-LBPRGKRZSA-N -1 1 312.394 3.174 20 30 DGEDMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188633872 432735719 /nfs/dbraw/zinc/73/57/19/432735719.db2.gz QCGWGSFWCPGSSK-DYVFJYSZSA-N -1 1 306.365 3.282 20 30 DGEDMM Cc1ncc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000330396809 432906462 /nfs/dbraw/zinc/90/64/62/432906462.db2.gz GGJKJXQIXNJQOU-UHFFFAOYSA-N -1 1 306.391 3.189 20 30 DGEDMM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000289897135 432979289 /nfs/dbraw/zinc/97/92/89/432979289.db2.gz KACDMOYZRQNDSD-GFCCVEGCSA-N -1 1 318.776 3.193 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2-c2ccccc2)n1 ZINC000361647804 433316095 /nfs/dbraw/zinc/31/60/95/433316095.db2.gz LTDOAIKSRMRASY-CYBMUJFWSA-N -1 1 308.366 3.127 20 30 DGEDMM N#C[C@@H](NC(=O)c1ncccc1[O-])c1c(Cl)cccc1Cl ZINC000426995557 433639209 /nfs/dbraw/zinc/63/92/09/433639209.db2.gz RJPPBCAHTGRYLY-SNVBAGLBSA-N -1 1 322.151 3.089 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000427116779 433654839 /nfs/dbraw/zinc/65/48/39/433654839.db2.gz XPYHYTFMPKDYJV-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000362865714 433889748 /nfs/dbraw/zinc/88/97/48/433889748.db2.gz SCGVAMBHLZPGFT-UHFFFAOYSA-N -1 1 312.803 3.382 20 30 DGEDMM N#Cc1cccc(CCNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436650542 434053807 /nfs/dbraw/zinc/05/38/07/434053807.db2.gz WTVGOUSXOURBNG-UHFFFAOYSA-N -1 1 316.360 3.390 20 30 DGEDMM CCCc1cc(=O)[n-]c(SCc2cc(C#N)ccc2OC)n1 ZINC000317423505 434204036 /nfs/dbraw/zinc/20/40/36/434204036.db2.gz OIGMQLFOLGGFAL-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/62/46/31/435624631.db2.gz JEQBCXMLGGARRJ-UHFFFAOYSA-N -1 1 323.190 3.342 20 30 DGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000549824526 435778022 /nfs/dbraw/zinc/77/80/22/435778022.db2.gz PUNUEGCQPAGJTE-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)n21 ZINC000651270072 436159370 /nfs/dbraw/zinc/15/93/70/436159370.db2.gz QVOGWMLOPDMRDT-NWDGAFQWSA-N -1 1 320.352 3.412 20 30 DGEDMM N#Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176436962 312775161 /nfs/dbraw/zinc/77/51/61/312775161.db2.gz SUWMERUAIJXYLM-UHFFFAOYSA-N -1 1 317.142 3.279 20 30 DGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H](C)C1CCCCC1 ZINC000557785395 314819952 /nfs/dbraw/zinc/81/99/52/314819952.db2.gz PCMFJGWQRXUBLE-NWDGAFQWSA-N -1 1 310.419 3.034 20 30 DGEDMM CCc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F ZINC000507564368 340225191 /nfs/dbraw/zinc/22/51/91/340225191.db2.gz HZKJTLUEQXLDDC-UHFFFAOYSA-N -1 1 318.373 3.255 20 30 DGEDMM 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CC(C)(C#N)CCCCSc1cccnc1-c1nnn[n-]1 ZINC001589033960 1192455933 /nfs/dbraw/zinc/45/59/33/1192455933.db2.gz NKGAJPJWZSMNGC-UHFFFAOYSA-N -1 1 302.407 3.074 20 30 DGEDMM CC(C)(C#N)CCCCSc1cccnc1-c1nn[n-]n1 ZINC001589033960 1192455936 /nfs/dbraw/zinc/45/59/36/1192455936.db2.gz NKGAJPJWZSMNGC-UHFFFAOYSA-N -1 1 302.407 3.074 20 30 DGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCCCC2)o1 ZINC001589238222 1192460914 /nfs/dbraw/zinc/46/09/14/1192460914.db2.gz OXINGVGTLYMCIN-UHFFFAOYSA-N -1 1 317.397 3.274 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@@H](C)[C@H](C)C2)o1 ZINC001589773964 1192473060 /nfs/dbraw/zinc/47/30/60/1192473060.db2.gz UHYCAOWHBVRUPZ-NXEZZACHSA-N -1 1 317.397 3.202 20 30 DGEDMM N#CC1(c2ccc(CNCc3ccc(C(=O)[O-])cc3F)cc2)CC1 ZINC001601058085 1192915338 /nfs/dbraw/zinc/91/53/38/1192915338.db2.gz IJWBQUVMUJZVIA-UHFFFAOYSA-N -1 1 324.355 3.369 20 30 DGEDMM N#Cc1cccc([C@@H](NCc2cccc(Cl)c2F)C(=O)[O-])c1 ZINC001601118069 1192920131 /nfs/dbraw/zinc/92/01/31/1192920131.db2.gz 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FKQSBRWSJZANGR-MRXNPFEDSA-N -1 1 319.788 3.316 20 30 DGEDMM CCCCCCN([O-])C(=O)c1noc(-c2cccc(F)c2)n1 ZINC001472621230 1183658491 /nfs/dbraw/zinc/65/84/91/1183658491.db2.gz LWOODHPPNOAVHW-UHFFFAOYSA-N -1 1 307.325 3.287 20 30 DGEDMM Cc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001607752180 1193253367 /nfs/dbraw/zinc/25/33/67/1193253367.db2.gz UCVGENMHAPHADE-NSHDSACASA-N -1 1 300.383 3.477 20 30 DGEDMM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001475646707 1184012887 /nfs/dbraw/zinc/01/28/87/1184012887.db2.gz WJHUGQCWCKCAEC-UHFFFAOYSA-N -1 1 303.374 3.236 20 30 DGEDMM Cc1sc([C@@H]2CCCN2CCC(C)(C)C#N)nc1C(=O)[O-] ZINC001608068627 1193277527 /nfs/dbraw/zinc/27/75/27/1193277527.db2.gz OZCDNUIMHULRQA-NSHDSACASA-N -1 1 307.419 3.227 20 30 DGEDMM N#CC1(c2ccccc2)CC(N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001608177390 1193280963 /nfs/dbraw/zinc/28/09/63/1193280963.db2.gz WCNUAIUBTSFMKS-LTCLLZNKSA-N -1 1 324.355 3.165 20 30 DGEDMM CCCCOc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001609971567 1193369635 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O=C(NCC(F)(F)C(F)F)c1ccc(C(F)(F)F)c([O-])c1 ZINC001556498108 1189004052 /nfs/dbraw/zinc/00/40/52/1189004052.db2.gz UQQGYUCXMCWVKV-UHFFFAOYSA-N -1 1 319.176 3.041 20 30 DGEDMM N#CC[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001556592466 1189008261 /nfs/dbraw/zinc/00/82/61/1189008261.db2.gz OHSOCRDMPGLOTI-LLVKDONJSA-N -1 1 302.280 3.306 20 30 DGEDMM C=CCOc1ccc(CC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001557958015 1189094048 /nfs/dbraw/zinc/09/40/48/1189094048.db2.gz YXVWMRLHWLCDIO-UHFFFAOYSA-N -1 1 301.317 3.277 20 30 DGEDMM N#Cc1ccc(C2=CCN(C(=O)c3cccc([O-])c3F)CC2)cc1 ZINC001567154355 1190044046 /nfs/dbraw/zinc/04/40/46/1190044046.db2.gz FIOWVUNTRSCLBH-UHFFFAOYSA-N -1 1 322.339 3.332 20 30 DGEDMM CCc1ccc([C@@H](C#N)NC(=O)c2cc(C)cc(C=O)c2[O-])cc1 ZINC001569889334 1190770467 /nfs/dbraw/zinc/77/04/67/1190770467.db2.gz UZFLRILRILAUFA-QGZVFWFLSA-N -1 1 322.364 3.070 20 30 DGEDMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC001623517376 1193936707 /nfs/dbraw/zinc/93/67/07/1193936707.db2.gz 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400306358 /nfs/dbraw/zinc/30/63/58/400306358.db2.gz DWBNGEBFWLBDIX-CQSZACIVSA-N -1 1 306.793 3.129 20 30 DGEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601189495 400259562 /nfs/dbraw/zinc/25/95/62/400259562.db2.gz JDQBQSSSSSMYEB-BDJLRTHQSA-N -1 1 306.793 3.177 20 30 DGEDMM CCc1c(-c2cccc(C(F)(F)F)c2)[n-]n(CCC#N)c1=O ZINC000601930799 400379363 /nfs/dbraw/zinc/37/93/63/400379363.db2.gz IVBCEUQDCVTXBO-GFCCVEGCSA-N -1 1 309.291 3.192 20 30 DGEDMM Cc1nc(C#N)c(-n2[n-]c(Cc3ccccc3)c(C(C)C)c2=O)o1 ZINC000601941646 400382098 /nfs/dbraw/zinc/38/20/98/400382098.db2.gz ZLLXURLNQIZFOL-INIZCTEOSA-N -1 1 322.368 3.072 20 30 DGEDMM C=C(CC)CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000579365402 400337861 /nfs/dbraw/zinc/33/78/61/400337861.db2.gz ZUHQCILEFHCGPM-OAHLLOKOSA-N -1 1 319.401 3.044 20 30 DGEDMM C=CC[C@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000617782544 400453363 /nfs/dbraw/zinc/45/33/63/400453363.db2.gz HRTCGUWUSGUVCZ-ZDUSSCGKSA-N -1 1 317.433 3.216 20 30 DGEDMM N#Cc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000045213372 400515681 /nfs/dbraw/zinc/51/56/81/400515681.db2.gz RSSFENRZFLBBER-UHFFFAOYSA-N -1 1 302.333 3.347 20 30 DGEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(Cl)ccc1[O-] ZINC000618784580 400688983 /nfs/dbraw/zinc/68/89/83/400688983.db2.gz CLYVRXUDEXQFTL-OAHLLOKOSA-N -1 1 312.756 3.335 20 30 DGEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000076839254 400675537 /nfs/dbraw/zinc/67/55/37/400675537.db2.gz XOBIOUFDZVBWTP-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1cccc(OCCCNC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000618885855 400709090 /nfs/dbraw/zinc/70/90/90/400709090.db2.gz XQICGSOTSVYJQL-UHFFFAOYSA-N -1 1 324.380 3.080 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000614294274 400871696 /nfs/dbraw/zinc/87/16/96/400871696.db2.gz ZWJBJEQMIYNEQT-UHFFFAOYSA-N -1 1 317.142 3.279 20 30 DGEDMM COc1cccc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614293919 400872330 /nfs/dbraw/zinc/87/23/30/400872330.db2.gz FKENYTSKTMKKPD-GOSISDBHSA-N -1 1 322.364 3.250 20 30 DGEDMM CSc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461226 400852132 /nfs/dbraw/zinc/85/21/32/400852132.db2.gz XOYYHBHZNXRSRV-UHFFFAOYSA-N -1 1 318.423 3.275 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000619557211 400865915 /nfs/dbraw/zinc/86/59/15/400865915.db2.gz MDLSYMJRVLUUOX-SAZUREKKSA-N -1 1 310.328 3.079 20 30 DGEDMM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000615469941 401088569 /nfs/dbraw/zinc/08/85/69/401088569.db2.gz PFFDQQFIVOLDDC-UHFFFAOYSA-N -1 1 324.380 3.371 20 30 DGEDMM Cc1ccc(C#N)c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000364945517 287078037 /nfs/dbraw/zinc/07/80/37/287078037.db2.gz FINBFTFQFDATQA-UHFFFAOYSA-N -1 1 321.380 3.067 20 30 DGEDMM N#CC(=C([O-])c1cccc([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190967361 432206987 /nfs/dbraw/zinc/20/69/87/432206987.db2.gz SMJQLFINVZCOOA-CYBMUJFWSA-N -1 1 318.292 3.028 20 30 DGEDMM CCOc1cccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000191163255 432228274 /nfs/dbraw/zinc/22/82/74/432228274.db2.gz QDAWUDBQDSECQN-GFCCVEGCSA-N -1 1 310.353 3.154 20 30 DGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000339935044 229083723 /nfs/dbraw/zinc/08/37/23/229083723.db2.gz HNSRLPRYUSCOAH-NSHDSACASA-N -1 1 313.382 3.434 20 30 DGEDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355867189 229320103 /nfs/dbraw/zinc/32/01/03/229320103.db2.gz LMFFSFLCXHRLAA-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000355859679 229320747 /nfs/dbraw/zinc/32/07/47/229320747.db2.gz BJGWLLQUWFYDLY-UHFFFAOYSA-N -1 1 312.350 3.300 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1[O-] ZINC000527490132 268203294 /nfs/dbraw/zinc/20/32/94/268203294.db2.gz NMIQYIJEGSMFAF-CQSZACIVSA-N -1 1 320.270 3.297 20 30 DGEDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000007053369 431329711 /nfs/dbraw/zinc/32/97/11/431329711.db2.gz VEWRZIDOJVOMSR-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076936316 431565284 /nfs/dbraw/zinc/56/52/84/431565284.db2.gz SSANLJQCMMILRP-UHFFFAOYSA-N -1 1 316.382 3.066 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000091480130 431905320 /nfs/dbraw/zinc/90/53/20/431905320.db2.gz HQLDPJAIAOHKKS-JTQLQIEISA-N -1 1 306.309 3.058 20 30 DGEDMM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1ccc2ccccc2n1 ZINC000048856735 431934196 /nfs/dbraw/zinc/93/41/96/431934196.db2.gz DOEQIYRZSOCSFU-ZDUSSCGKSA-N -1 1 302.337 3.325 20 30 DGEDMM COC(=O)c1c[n-]c(SCc2ccc(Cl)cc2C#N)n1 ZINC000193536497 432479373 /nfs/dbraw/zinc/47/93/73/432479373.db2.gz GSSPILXFJTVQCD-UHFFFAOYSA-N -1 1 307.762 3.014 20 30 DGEDMM C=C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000158655898 432653253 /nfs/dbraw/zinc/65/32/53/432653253.db2.gz USMORVKVLXONSO-VIFPVBQESA-N -1 1 310.279 3.122 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1[O-] ZINC000188307134 432718161 /nfs/dbraw/zinc/71/81/61/432718161.db2.gz MHPZBRULEXPVBL-KRWDZBQOSA-N -1 1 321.380 3.416 20 30 DGEDMM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188402906 432723297 /nfs/dbraw/zinc/72/32/97/432723297.db2.gz MODVWCRSRDUTAN-UHFFFAOYSA-N -1 1 314.772 3.232 20 30 DGEDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000188905089 432752834 /nfs/dbraw/zinc/75/28/34/432752834.db2.gz BFMMLBGGHFLTFG-UHFFFAOYSA-N -1 1 300.383 3.482 20 30 DGEDMM CSCc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000189269413 432774140 /nfs/dbraw/zinc/77/41/40/432774140.db2.gz ROEGAGGBTYGOKS-UHFFFAOYSA-N -1 1 312.394 3.057 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1[O-] ZINC000188455709 432727596 /nfs/dbraw/zinc/72/75/96/432727596.db2.gz IZNFHNDGDLRWIX-KRWDZBQOSA-N -1 1 306.365 3.015 20 30 DGEDMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188697069 432740905 /nfs/dbraw/zinc/74/09/05/432740905.db2.gz OHLPMXZTIWWPFW-MRXNPFEDSA-N -1 1 309.369 3.272 20 30 DGEDMM CC(C)(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000268049561 432840353 /nfs/dbraw/zinc/84/03/53/432840353.db2.gz OQDPTAKZQHKQFS-LLVKDONJSA-N -1 1 300.736 3.486 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427116216 433655308 /nfs/dbraw/zinc/65/53/08/433655308.db2.gz XFSAGGRRBZGNDL-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM C=C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000436727902 434084577 /nfs/dbraw/zinc/08/45/77/434084577.db2.gz FBXMSIHQCXTEMO-NSHDSACASA-N -1 1 310.191 3.335 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(OC)c(Cl)c1 ZINC000416948162 434258403 /nfs/dbraw/zinc/25/84/03/434258403.db2.gz YUWOYKHMEKRZKG-MRVPVSSYSA-N -1 1 323.201 3.046 20 30 DGEDMM Cc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1C#N ZINC000417706246 434505227 /nfs/dbraw/zinc/50/52/27/434505227.db2.gz OVGRQDQLRLLHJE-UHFFFAOYSA-N -1 1 321.380 3.127 20 30 DGEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1sccc1Cl ZINC000450995912 434524023 /nfs/dbraw/zinc/52/40/23/434524023.db2.gz TVPIEUUZDQEPAX-NSHDSACASA-N -1 1 306.840 3.008 20 30 DGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000439622832 434628526 /nfs/dbraw/zinc/62/85/26/434628526.db2.gz OZKNPSGVFJGHNL-UHFFFAOYSA-N -1 1 315.398 3.099 20 30 DGEDMM C=CCOc1cccnc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445460314 434803806 /nfs/dbraw/zinc/80/38/06/434803806.db2.gz QHBQGJIBXVYZCZ-UHFFFAOYSA-N -1 1 313.288 3.208 20 30 DGEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645640778 435668111 /nfs/dbraw/zinc/66/81/11/435668111.db2.gz GPVLIYMRRGBZPN-SNVBAGLBSA-N -1 1 322.352 3.124 20 30 DGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c1 ZINC000170687943 312699917 /nfs/dbraw/zinc/69/99/17/312699917.db2.gz GFASKWLQSZZWLL-UHFFFAOYSA-N -1 1 323.377 3.150 20 30 DGEDMM N#Cc1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)c1F ZINC000577802246 316271564 /nfs/dbraw/zinc/27/15/64/316271564.db2.gz NMAWZFJXCZPXON-UHFFFAOYSA-N -1 1 311.288 3.423 20 30 DGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000565056071 332514220 /nfs/dbraw/zinc/51/42/20/332514220.db2.gz PHUZOAGFJGKZMQ-UHFFFAOYSA-N -1 1 322.430 3.157 20 30 DGEDMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H](F)C(F)(F)F ZINC000291422038 334178451 /nfs/dbraw/zinc/17/84/51/334178451.db2.gz YYMQLYIZDJSZMV-QMMMGPOBSA-N -1 1 319.176 3.154 20 30 DGEDMM Cc1cccc(C)c1OCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000442943326 534680469 /nfs/dbraw/zinc/68/04/69/534680469.db2.gz OJLBDWLVFGKGJV-UHFFFAOYSA-N -1 1 324.380 3.080 20 30 DGEDMM Cc1nc(-c2cccc(C([O-])=C(C#N)c3ccncn3)c2)cs1 ZINC000354469256 534859271 /nfs/dbraw/zinc/85/92/71/534859271.db2.gz MYGHALUSYAQPIP-CQSZACIVSA-N -1 1 320.377 3.399 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000427775328 527246270 /nfs/dbraw/zinc/24/62/70/527246270.db2.gz BMGHNVJTZFHQIC-UHFFFAOYSA-N -1 1 302.399 3.457 20 30 DGEDMM CCCCCCCCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155539689 528122272 /nfs/dbraw/zinc/12/22/72/528122272.db2.gz WDGRBWGLTJFJRQ-AWEZNQCLSA-N -1 1 307.442 3.046 20 30 DGEDMM CCN(C[C@H](C)C#N)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338356640 528702447 /nfs/dbraw/zinc/70/24/47/528702447.db2.gz MFBBCZHBSLVODQ-SNVBAGLBSA-N -1 1 317.776 3.216 20 30 DGEDMM CC(C)N(C)c1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000442929501 528853727 /nfs/dbraw/zinc/85/37/27/528853727.db2.gz GLBUDFPJASNQCL-UHFFFAOYSA-N -1 1 323.396 3.038 20 30 DGEDMM CCCCc1nnc([N-]C(=O)c2ncc(C#N)cc2Cl)s1 ZINC000427924971 529053302 /nfs/dbraw/zinc/05/33/02/529053302.db2.gz RCSABSXMPUYWIM-UHFFFAOYSA-N -1 1 321.793 3.053 20 30 DGEDMM C=CCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000735416885 574702498 /nfs/dbraw/zinc/70/24/98/574702498.db2.gz SMINBJOWZXBNOU-UHFFFAOYSA-N -1 1 315.324 3.257 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC2CCCCCC2)o1 ZINC000735940282 574722066 /nfs/dbraw/zinc/72/20/66/574722066.db2.gz YFXLBYIGDRAWCO-UHFFFAOYSA-N -1 1 317.397 3.346 20 30 DGEDMM CC[C@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000736395629 574747490 /nfs/dbraw/zinc/74/74/90/574747490.db2.gz JCNGJMRPKLCGAU-JTQLQIEISA-N -1 1 317.397 3.346 20 30 DGEDMM COc1ccc(C)cc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737976683 574857790 /nfs/dbraw/zinc/85/77/90/574857790.db2.gz YOTUNRFQARYTLR-ACJLOTCBSA-N -1 1 324.380 3.352 20 30 DGEDMM C[C@H](/N=C\c1ccccc1O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741166318 574952482 /nfs/dbraw/zinc/95/24/82/574952482.db2.gz ZVBSXQFQRSWKBD-FFRQLQOOSA-N -1 1 324.424 3.101 20 30 DGEDMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(C#N)c1 ZINC000743812819 575064082 /nfs/dbraw/zinc/06/40/82/575064082.db2.gz FUWVHTZDEJRZPB-SNVBAGLBSA-N -1 1 300.745 3.408 20 30 DGEDMM COc1ccc(C)cc1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737976687 575906479 /nfs/dbraw/zinc/90/64/79/575906479.db2.gz YOTUNRFQARYTLR-SCLBCKFNSA-N -1 1 324.380 3.352 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc(-c3ccccc3)s2)n1 ZINC000727252130 576114961 /nfs/dbraw/zinc/11/49/61/576114961.db2.gz QWYMYVBTHXOXSR-UHFFFAOYSA-N -1 1 311.370 3.060 20 30 DGEDMM C[C@H]1CCCCN1N=Cc1cc(O)cc(Br)c1[O-] ZINC000853379497 620690734 /nfs/dbraw/zinc/69/07/34/620690734.db2.gz KCNZHPQAZBNTLJ-VIFPVBQESA-N -1 1 313.195 3.069 20 30 DGEDMM CC(C)C#CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000854432126 620803390 /nfs/dbraw/zinc/80/33/90/620803390.db2.gz JOXZGPVZGGZOMW-UHFFFAOYSA-N -1 1 316.582 3.406 20 30 DGEDMM C#CCCc1cc(=O)n(-c2ccc(Br)cc2C)[n-]1 ZINC000899350240 619328841 /nfs/dbraw/zinc/32/88/41/619328841.db2.gz BCHADPGHAOECLK-UHFFFAOYSA-N -1 1 305.175 3.264 20 30 DGEDMM C[C@@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC000900736003 619448434 /nfs/dbraw/zinc/44/84/34/619448434.db2.gz HUAATIFBOFIQSL-MLGOLLRUSA-N -1 1 317.339 3.239 20 30 DGEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccnn1CC1CCC1 ZINC000901158513 619473853 /nfs/dbraw/zinc/47/38/53/619473853.db2.gz IBZTYNXNQFFDOT-UHFFFAOYSA-N -1 1 312.373 3.218 20 30 DGEDMM Cc1nn(C(C)C)c(C)c1C=NNc1ccc(C(=O)[O-])cc1F ZINC000901249578 619480330 /nfs/dbraw/zinc/48/03/30/619480330.db2.gz ZGEYOOZGEGKDRV-UHFFFAOYSA-N -1 1 318.352 3.364 20 30 DGEDMM Cc1ccc(F)c(OCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372855 619491380 /nfs/dbraw/zinc/49/13/80/619491380.db2.gz OFNLMQMQXCJICR-UHFFFAOYSA-N -1 1 307.296 3.070 20 30 DGEDMM C[C@H](Oc1cccc(F)c1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375413 619491966 /nfs/dbraw/zinc/49/19/66/619491966.db2.gz HEFLGSUULRWKJT-NSHDSACASA-N -1 1 307.296 3.150 20 30 DGEDMM O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc([O-])c(F)c1F ZINC000901431644 619500811 /nfs/dbraw/zinc/50/08/11/619500811.db2.gz WRAVCBGBUMJMQB-YRNVUSSQSA-N -1 1 324.352 3.173 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cc2n(n1)CCCC2 ZINC000901561223 619516362 /nfs/dbraw/zinc/51/63/62/619516362.db2.gz MXOWSUVWDPZDED-ALCCZGGFSA-N -1 1 302.761 3.475 20 30 DGEDMM C=CCN(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000901585945 619519294 /nfs/dbraw/zinc/51/92/94/619519294.db2.gz FUFCRLSIWNHYEG-UHFFFAOYSA-N -1 1 307.699 3.431 20 30 DGEDMM Cc1ccc2nc(/C=C3/Oc4cc([O-])cc(C)c4C3=O)cn2c1 ZINC000789128681 625368324 /nfs/dbraw/zinc/36/83/24/625368324.db2.gz RNMYSCAYLFEFSG-GIDUJCDVSA-N -1 1 306.321 3.273 20 30 DGEDMM Cc1ccc(C(=O)C(=O)N([O-])CCCCc2ccccc2)cc1 ZINC000904201135 619897563 /nfs/dbraw/zinc/89/75/63/619897563.db2.gz JVIBRAQDAGARQC-UHFFFAOYSA-N -1 1 311.381 3.418 20 30 DGEDMM CC(=NN[C@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766030547 620600189 /nfs/dbraw/zinc/60/01/89/620600189.db2.gz VHGOCRKJGXGRQC-VIFPVBQESA-N -1 1 303.189 3.192 20 30 DGEDMM C=C1CCC(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000921598664 620913738 /nfs/dbraw/zinc/91/37/38/620913738.db2.gz NFCZVMAMRXMZLJ-UHFFFAOYSA-N -1 1 305.346 3.242 20 30 DGEDMM Cc1ccc(NN=Cc2cc(O)cc(Br)c2[O-])nc1 ZINC000755689305 621586039 /nfs/dbraw/zinc/58/60/39/621586039.db2.gz OJJOUONOIAMOFQ-UHFFFAOYSA-N -1 1 322.162 3.010 20 30 DGEDMM CCCC1CCC(C=NNc2nc(=O)c3cnn(C)c3[n-]2)CC1 ZINC000755734889 621589440 /nfs/dbraw/zinc/58/94/40/621589440.db2.gz WDZRUXJRRPWTGY-UHFFFAOYSA-N -1 1 316.409 3.073 20 30 DGEDMM O=C([O-])c1csc(CN=Nc2cccc(C(F)(F)F)n2)c1 ZINC000755740012 621590032 /nfs/dbraw/zinc/59/00/32/621590032.db2.gz OWDBUUDSXCYPDM-UHFFFAOYSA-N -1 1 315.276 3.306 20 30 DGEDMM Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000757467805 621713909 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MOSVILAXSQYZPO-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM CCCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259126000 1107082652 /nfs/dbraw/zinc/08/26/52/1107082652.db2.gz FUMSURIRAMTEPO-UHFFFAOYSA-N -1 1 300.383 3.312 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c1 ZINC001259430377 1107135294 /nfs/dbraw/zinc/13/52/94/1107135294.db2.gz OJSIDZNRAGXJGV-UHFFFAOYSA-N -1 1 323.320 3.070 20 30 DGEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259491390 1107150738 /nfs/dbraw/zinc/15/07/38/1107150738.db2.gz YOSJJBMBBAVQMZ-UHFFFAOYSA-N -1 1 322.336 3.254 20 30 DGEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC001259505928 1107152569 /nfs/dbraw/zinc/15/25/69/1107152569.db2.gz LTSXZKLKGSOWLZ-CYBMUJFWSA-N -1 1 324.764 3.022 20 30 DGEDMM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC001260973309 1107330958 /nfs/dbraw/zinc/33/09/58/1107330958.db2.gz JOSLQNOWLUZMRO-UHFFFAOYSA-N -1 1 321.785 3.131 20 30 DGEDMM C=C(C[N-]S(=O)(=O)c1sccc1Cl)c1ccccc1 ZINC001622211506 1193889835 /nfs/dbraw/zinc/88/98/35/1193889835.db2.gz YAVRVJLMPAHUFM-UHFFFAOYSA-N -1 1 313.831 3.393 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc3ncccc23)ccc1C#N ZINC000324363304 231223350 /nfs/dbraw/zinc/22/33/50/231223350.db2.gz GZHURKZQGVEMDJ-UHFFFAOYSA-N -1 1 323.377 3.216 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000427315030 529688788 /nfs/dbraw/zinc/68/87/88/529688788.db2.gz MAGUNTDLGXFBOR-UHFFFAOYSA-N -1 1 318.373 3.369 20 30 DGEDMM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442627283 529986132 /nfs/dbraw/zinc/98/61/32/529986132.db2.gz JCXVIFBXKRSUHZ-UHFFFAOYSA-N -1 1 306.774 3.251 20 30 DGEDMM CC(C)(C)c1ncc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)s1 ZINC000067841116 432042410 /nfs/dbraw/zinc/04/24/10/432042410.db2.gz IWOIJXZTSUMZQE-UHFFFAOYSA-N -1 1 319.312 3.214 20 30 DGEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000180176337 432080372 /nfs/dbraw/zinc/08/03/72/432080372.db2.gz MLUOCAFEIKMRMX-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CCS[C@H]1CCCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188483855 200254893 /nfs/dbraw/zinc/25/48/93/200254893.db2.gz BYAPSNXDOWRKQI-AWEZNQCLSA-N -1 1 304.415 3.012 20 30 DGEDMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188613890 200275412 /nfs/dbraw/zinc/27/54/12/200275412.db2.gz DVSVEJVOIAIFKA-KBPBESRZSA-N -1 1 304.415 3.058 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1F ZINC000170933184 432088248 /nfs/dbraw/zinc/08/82/48/432088248.db2.gz ADBPPNSOVDCZJZ-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000442634213 239104710 /nfs/dbraw/zinc/10/47/10/239104710.db2.gz BHNZHZDOHBDIOK-INIZCTEOSA-N -1 1 306.365 3.202 20 30 DGEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451137407 241019107 /nfs/dbraw/zinc/01/91/07/241019107.db2.gz UDFOFLXLPHDPEX-QMMMGPOBSA-N -1 1 314.819 3.135 20 30 DGEDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000109245515 284065846 /nfs/dbraw/zinc/06/58/46/284065846.db2.gz FWLLXRQSERZNJG-UHFFFAOYSA-N -1 1 318.423 3.222 20 30 DGEDMM CCCc1cc(=O)[n-]c(S[C@@H](C#N)Cc2ccc(C)cc2)n1 ZINC000006972331 400096369 /nfs/dbraw/zinc/09/63/69/400096369.db2.gz ZBCCYTYDORCNTR-OAHLLOKOSA-N -1 1 313.426 3.258 20 30 DGEDMM N#CCCN(Cc1ccco1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601024245 400206434 /nfs/dbraw/zinc/20/64/34/400206434.db2.gz UUKBHDKHZSVDKJ-UHFFFAOYSA-N -1 1 318.760 3.124 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC000589175220 400268892 /nfs/dbraw/zinc/26/88/92/400268892.db2.gz ZMPPWKJFJAJFMH-UHFFFAOYSA-N -1 1 310.328 3.212 20 30 DGEDMM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589178387 400269213 /nfs/dbraw/zinc/26/92/13/400269213.db2.gz ZXIRCYVBZMARRX-KRWDZBQOSA-N -1 1 322.364 3.250 20 30 DGEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000589184366 400270465 /nfs/dbraw/zinc/27/04/65/400270465.db2.gz ASEFLUNBLVWZDS-CYBMUJFWSA-N -1 1 324.380 3.496 20 30 DGEDMM Cc1nc(CC(C)C)c(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000589189891 400271539 /nfs/dbraw/zinc/27/15/39/400271539.db2.gz YBCLQZPCSZHDMF-UHFFFAOYSA-N -1 1 315.398 3.480 20 30 DGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1F ZINC000589189476 400271909 /nfs/dbraw/zinc/27/19/09/400271909.db2.gz VFGILKUVKJINSQ-VIFPVBQESA-N -1 1 302.280 3.033 20 30 DGEDMM CCCCCn1nc(C)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589190200 400272293 /nfs/dbraw/zinc/27/22/93/400272293.db2.gz RRAVMLPGUHXLEL-UHFFFAOYSA-N -1 1 312.373 3.211 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000589192459 400273736 /nfs/dbraw/zinc/27/37/36/400273736.db2.gz AZLXQXBHQUXSDT-UHFFFAOYSA-N -1 1 306.365 3.017 20 30 DGEDMM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589207443 400277076 /nfs/dbraw/zinc/27/70/76/400277076.db2.gz ZGQXHWBZSCKILN-QGZVFWFLSA-N -1 1 306.365 3.241 20 30 DGEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000102862227 400304196 /nfs/dbraw/zinc/30/41/96/400304196.db2.gz ORDURSGGTGFYMA-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CCc1c(-c2ccc(F)cc2Cl)[n-]n(C[C@H](C)C#N)c1=O ZINC000601934549 400379995 /nfs/dbraw/zinc/37/99/95/400379995.db2.gz ZCDWZIRYFRVLLS-KOLCDFICSA-N -1 1 307.756 3.211 20 30 DGEDMM CCOc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)cc(Cl)c1[O-] ZINC000613031293 400644189 /nfs/dbraw/zinc/64/41/89/400644189.db2.gz ROPQMVQBKOGGMG-INIZCTEOSA-N -1 1 322.792 3.210 20 30 DGEDMM N#CC1CCC(CNC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000597617868 400652870 /nfs/dbraw/zinc/65/28/70/400652870.db2.gz VRHIDVRHBAVPAV-UHFFFAOYSA-N -1 1 309.369 3.000 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000157989869 400723165 /nfs/dbraw/zinc/72/31/65/400723165.db2.gz ISZFHVKLDIKDFI-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000613511362 400739802 /nfs/dbraw/zinc/73/98/02/400739802.db2.gz HZZOSMKZTRSUOA-RDJZCZTQSA-N -1 1 324.355 3.443 20 30 DGEDMM N#CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000597904201 400691821 /nfs/dbraw/zinc/69/18/21/400691821.db2.gz PQQAUPMUZRJONM-SNVBAGLBSA-N -1 1 312.291 3.177 20 30 DGEDMM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H](C)C2 ZINC000598265468 400771650 /nfs/dbraw/zinc/77/16/50/400771650.db2.gz YTDDYBCTGUOQHQ-XIKOKIGWSA-N -1 1 306.365 3.236 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000614292892 400870921 /nfs/dbraw/zinc/87/09/21/400870921.db2.gz GITGASGKCPMPKP-OAHLLOKOSA-N -1 1 310.378 3.231 20 30 DGEDMM Cc1ccccc1C(C)(C)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298365 400872245 /nfs/dbraw/zinc/87/22/45/400872245.db2.gz KZNFXYNBQFNQOH-UHFFFAOYSA-N -1 1 308.381 3.280 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000614293368 400872261 /nfs/dbraw/zinc/87/22/61/400872261.db2.gz BPEGNWYOJCVGIY-UHFFFAOYSA-N -1 1 306.365 3.116 20 30 DGEDMM CC(C)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614295410 400872366 /nfs/dbraw/zinc/87/23/66/400872366.db2.gz PSXJBVVXKCRKEO-GOSISDBHSA-N -1 1 308.381 3.433 20 30 DGEDMM CSc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000619619219 400873613 /nfs/dbraw/zinc/87/36/13/400873613.db2.gz RLCJRYBELXQZKI-LLVKDONJSA-N -1 1 312.394 3.477 20 30 DGEDMM COc1ccc([C@H](C)CCNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614370100 400888046 /nfs/dbraw/zinc/88/80/46/400888046.db2.gz AEJOWSFBXQBPRP-CYBMUJFWSA-N -1 1 324.380 3.196 20 30 DGEDMM COc1ccc(N(C)C(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000614371727 400888155 /nfs/dbraw/zinc/88/81/55/400888155.db2.gz QHANQNAWEDXIIN-UHFFFAOYSA-N -1 1 316.744 3.202 20 30 DGEDMM CSc1ccccc1[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619674931 400881753 /nfs/dbraw/zinc/88/17/53/400881753.db2.gz ISKVJLCQONTOED-NSHDSACASA-N -1 1 312.394 3.477 20 30 DGEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000619420674 400843522 /nfs/dbraw/zinc/84/35/22/400843522.db2.gz XPOVWNALTYJBNH-UHFFFAOYSA-N -1 1 306.365 3.482 20 30 DGEDMM C=CCCCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F ZINC000625425897 401124851 /nfs/dbraw/zinc/12/48/51/401124851.db2.gz RFZBJCLUEAGINQ-AWEZNQCLSA-N -1 1 317.401 3.139 20 30 DGEDMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615479571 401090675 /nfs/dbraw/zinc/09/06/75/401090675.db2.gz ALCVLKKSKOBUEU-NSHDSACASA-N -1 1 310.328 3.162 20 30 DGEDMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190994778 432209692 /nfs/dbraw/zinc/20/96/92/432209692.db2.gz AOJUYVREZMPJIC-CQSZACIVSA-N -1 1 324.380 3.078 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC000160767419 228248990 /nfs/dbraw/zinc/24/89/90/228248990.db2.gz JNDCWAHVFMUNIC-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#CCc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000340461320 229089900 /nfs/dbraw/zinc/08/99/00/229089900.db2.gz QNNURCHTMMYWDZ-UHFFFAOYSA-N -1 1 318.336 3.101 20 30 DGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000339935387 229083549 /nfs/dbraw/zinc/08/35/49/229083549.db2.gz FUHHHTOPUDIDSW-LLVKDONJSA-N -1 1 313.382 3.291 20 30 DGEDMM Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c(=O)[nH]1 ZINC000349288540 229211007 /nfs/dbraw/zinc/21/10/07/229211007.db2.gz VXBOHIPXXXGYAV-NSHDSACASA-N -1 1 307.309 3.035 20 30 DGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000355845832 229318365 /nfs/dbraw/zinc/31/83/65/229318365.db2.gz QOGGUOGGFZUDCJ-UHFFFAOYSA-N -1 1 324.764 3.346 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1[O-] ZINC000357469397 270003901 /nfs/dbraw/zinc/00/39/01/270003901.db2.gz HHNRBKNFJGNPEQ-MRXNPFEDSA-N -1 1 310.328 3.210 20 30 DGEDMM Cc1cccc(C(C)(C)CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000191164434 432229262 /nfs/dbraw/zinc/22/92/62/432229262.db2.gz MAWXDTFYYQKSQK-UHFFFAOYSA-N -1 1 308.381 3.280 20 30 DGEDMM CCCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2OC)n1 ZINC000499313145 267041838 /nfs/dbraw/zinc/04/18/38/267041838.db2.gz ZYTDREHCSXRMNE-UHFFFAOYSA-N -1 1 315.398 3.307 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)sc1C ZINC000358566176 267360256 /nfs/dbraw/zinc/36/02/56/267360256.db2.gz NFQUSDLMDHRCAW-UHFFFAOYSA-N -1 1 310.375 3.177 20 30 DGEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000428052509 276923850 /nfs/dbraw/zinc/92/38/50/276923850.db2.gz YYYQNUBKGTYNKL-NSHDSACASA-N -1 1 310.191 3.335 20 30 DGEDMM CSc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000070431781 431250547 /nfs/dbraw/zinc/25/05/47/431250547.db2.gz VHMGHFZGEIKTJE-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935563 431565144 /nfs/dbraw/zinc/56/51/44/431565144.db2.gz DGUHUPQYJJPYQA-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000121697928 431805846 /nfs/dbraw/zinc/80/58/46/431805846.db2.gz LPQPNIUEMLMZSR-SNVBAGLBSA-N -1 1 321.229 3.210 20 30 DGEDMM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nc2ccccc2[nH]1 ZINC000121306010 431769872 /nfs/dbraw/zinc/76/98/72/431769872.db2.gz STEPLOSCFIAXTN-CYBMUJFWSA-N -1 1 319.368 3.365 20 30 DGEDMM Cn1cc(/C=C/C(=O)c2cc(O)ccc2[O-])c(C(C)(C)C)n1 ZINC000093902060 431918969 /nfs/dbraw/zinc/91/89/69/431918969.db2.gz DWOUGCKREJNLBO-FNORWQNLSA-N -1 1 300.358 3.025 20 30 DGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000048441141 431927003 /nfs/dbraw/zinc/92/70/03/431927003.db2.gz MXFDEENOODBIJX-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM CC(=Cc1cc(Cl)ccc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613119 432484978 /nfs/dbraw/zinc/48/49/78/432484978.db2.gz PQWZHLSZLHHWCZ-YVMONPNESA-N -1 1 303.724 3.303 20 30 DGEDMM C[C@H](c1ccc(C#N)cc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000194973153 432591306 /nfs/dbraw/zinc/59/13/06/432591306.db2.gz COVABHIJTSFROY-LLVKDONJSA-N -1 1 324.409 3.049 20 30 DGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000217554784 432656247 /nfs/dbraw/zinc/65/62/47/432656247.db2.gz FVPILDVPJVWZJS-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM COc1ccccc1CN(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188338311 432720576 /nfs/dbraw/zinc/72/05/76/432720576.db2.gz MMINMQHAFHSJGH-UHFFFAOYSA-N -1 1 322.364 3.077 20 30 DGEDMM C=CC[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000188555369 432732271 /nfs/dbraw/zinc/73/22/71/432732271.db2.gz QNTCLPLVPSQDID-JTQLQIEISA-N -1 1 310.279 3.122 20 30 DGEDMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000235867462 432746222 /nfs/dbraw/zinc/74/62/22/432746222.db2.gz JZSKNESXMXULPK-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM COCCOCc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1 ZINC000289890213 432979432 /nfs/dbraw/zinc/97/94/32/432979432.db2.gz JLHZALHJESTZNL-YVLHZVERSA-N -1 1 324.376 3.378 20 30 DGEDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427137083 433659997 /nfs/dbraw/zinc/65/99/97/433659997.db2.gz QWFUJIQRNZQVRL-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CC#N)c1 ZINC000456754640 433807494 /nfs/dbraw/zinc/80/74/94/433807494.db2.gz QYOZAMJUSHUXGX-UHFFFAOYSA-N -1 1 324.384 3.107 20 30 DGEDMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000436178355 433895862 /nfs/dbraw/zinc/89/58/62/433895862.db2.gz MBOKVMTYBCLKSG-UHFFFAOYSA-N -1 1 311.366 3.149 20 30 DGEDMM C=CCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)CCCC1 ZINC000450139134 433991170 /nfs/dbraw/zinc/99/11/70/433991170.db2.gz HKYHOUPLGGFIDH-UHFFFAOYSA-N -1 1 300.362 3.448 20 30 DGEDMM C=CCN(Cc1ccccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000436530280 433993955 /nfs/dbraw/zinc/99/39/55/433993955.db2.gz DMKNVZVZKHQDKW-UHFFFAOYSA-N -1 1 303.308 3.499 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000314311112 434143018 /nfs/dbraw/zinc/14/30/18/434143018.db2.gz CHJLWDKZNIDTJK-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM CN(CC(C)(C)C#N)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436988143 434193589 /nfs/dbraw/zinc/19/35/89/434193589.db2.gz VUSNXLPUAHVWAN-UHFFFAOYSA-N -1 1 300.280 3.033 20 30 DGEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000340777320 434352945 /nfs/dbraw/zinc/35/29/45/434352945.db2.gz HICXYYMPMUQWEO-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM Cc1nc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccc1C#N ZINC000445450004 434800620 /nfs/dbraw/zinc/80/06/20/434800620.db2.gz XEELGBKCEAOQOW-UHFFFAOYSA-N -1 1 312.716 3.338 20 30 DGEDMM C=CCCCN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000565426762 435279850 /nfs/dbraw/zinc/27/98/50/435279850.db2.gz MYRMJAANLUSYIM-UHFFFAOYSA-N -1 1 300.358 3.438 20 30 DGEDMM C=C1CC(C)(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)C1 ZINC000640125071 435521169 /nfs/dbraw/zinc/52/11/69/435521169.db2.gz LPZQBTYYBYWIOD-UHFFFAOYSA-N -1 1 318.764 3.126 20 30 DGEDMM C=C1CC(C)(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)C1 ZINC000640125071 435521173 /nfs/dbraw/zinc/52/11/73/435521173.db2.gz LPZQBTYYBYWIOD-UHFFFAOYSA-N -1 1 318.764 3.126 20 30 DGEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645640777 435668012 /nfs/dbraw/zinc/66/80/12/435668012.db2.gz GPVLIYMRRGBZPN-JTQLQIEISA-N -1 1 322.352 3.124 20 30 DGEDMM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000561528606 314972921 /nfs/dbraw/zinc/97/29/21/314972921.db2.gz JRPAEPQMWDNVCL-QWHCGFSZSA-N -1 1 310.419 3.034 20 30 DGEDMM CCc1nc(SCc2ccc(C#N)cc2F)[n-]c(=O)c1C ZINC000563441218 315115926 /nfs/dbraw/zinc/11/59/26/315115926.db2.gz YBQIGPWBTWTIHP-UHFFFAOYSA-N -1 1 303.362 3.356 20 30 DGEDMM N#Cc1cccc(OCCSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000569292855 315570402 /nfs/dbraw/zinc/57/04/02/315570402.db2.gz CASHLQYTGPSCGQ-UHFFFAOYSA-N -1 1 323.324 3.163 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1[O-] ZINC000189269486 323434289 /nfs/dbraw/zinc/43/42/89/323434289.db2.gz BZTUEMGBQKJIJO-MAUKXSAKSA-N -1 1 320.392 3.405 20 30 DGEDMM CC(C)CCN(CCC#N)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182391556 527715599 /nfs/dbraw/zinc/71/55/99/527715599.db2.gz YNOSSNYNPBAKHY-UHFFFAOYSA-N -1 1 314.385 3.260 20 30 DGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])n2C)n1 ZINC000353893417 528241208 /nfs/dbraw/zinc/24/12/08/528241208.db2.gz KQVIJLQHRUALBE-SECBINFHSA-N -1 1 318.358 3.003 20 30 DGEDMM O=C(COc1ccc(F)cc1F)Nc1nc(-c2ccco2)n[nH]1 ZINC000078253176 545744947 /nfs/dbraw/zinc/74/49/47/545744947.db2.gz UFROQMHRBVUZPD-UHFFFAOYSA-N -1 1 320.255 3.010 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCC2CCCCC2)o1 ZINC000735984860 574724623 /nfs/dbraw/zinc/72/46/23/574724623.db2.gz HHVHPKSFOPYPKY-UHFFFAOYSA-N -1 1 317.397 3.311 20 30 DGEDMM O=C([O-])N1CCC[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)C1 ZINC000739924859 574916274 /nfs/dbraw/zinc/91/62/74/574916274.db2.gz PNAPQWAOJSYFPO-KCUAXXGYSA-N -1 1 317.172 3.260 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000742027775 574979712 /nfs/dbraw/zinc/97/97/12/574979712.db2.gz VZXOIAHPAAKUHU-UHFFFAOYSA-N -1 1 303.358 3.225 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000745193329 575383827 /nfs/dbraw/zinc/38/38/27/575383827.db2.gz NQAOBQQRYGYRQP-UHFFFAOYSA-N -1 1 319.368 3.389 20 30 DGEDMM CC(C)c1nc(C#N)c(N=NCc2ccc([O-])c(Cl)c2)o1 ZINC000745613268 575405464 /nfs/dbraw/zinc/40/54/64/575405464.db2.gz CGOPJBGZQDURQI-UHFFFAOYSA-N -1 1 304.737 3.475 20 30 DGEDMM O=[N+]([O-])c1ccc(CN=Nc2nccc3sccc32)cc1[O-] ZINC000748132834 575562892 /nfs/dbraw/zinc/56/28/92/575562892.db2.gz FOJOVFQIZBYEKN-UHFFFAOYSA-N -1 1 314.326 3.356 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2cc(O)ccc2c1 ZINC000748779109 575606008 /nfs/dbraw/zinc/60/60/08/575606008.db2.gz VDLZSCXERXUYFQ-UHFFFAOYSA-N -1 1 308.341 3.186 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccsc3)nc1-2 ZINC000750722054 575747204 /nfs/dbraw/zinc/74/72/04/575747204.db2.gz ACSJXKLZMUZSLU-QAVQXKDTSA-N -1 1 308.366 3.218 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccccc3F)nc1-2 ZINC000750723735 575747698 /nfs/dbraw/zinc/74/76/98/575747698.db2.gz KEXGCOYVWYGGCS-KTRBRXNASA-N -1 1 320.327 3.295 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000750904249 575759631 /nfs/dbraw/zinc/75/96/31/575759631.db2.gz HESYIXNFSCVXRQ-MOOXIKRDSA-N -1 1 309.277 3.473 20 30 DGEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cn(-c2ccccc2)nn1 ZINC000728696755 576195582 /nfs/dbraw/zinc/19/55/82/576195582.db2.gz CKYJVXRSQYANCV-UVTDQMKNSA-N -1 1 317.348 3.185 20 30 DGEDMM Cc1c(C(=O)[O-])oc2c1C(=NNc1ncccc1Cl)CCC2 ZINC000917545854 620673222 /nfs/dbraw/zinc/67/32/22/620673222.db2.gz BMJKNVILCUJIKV-UHFFFAOYSA-N -1 1 319.748 3.487 20 30 DGEDMM O=C(CC(F)(F)C(F)F)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000891182901 617742814 /nfs/dbraw/zinc/74/28/14/617742814.db2.gz HAPLNIQEZXGJCJ-YFKPBYRVSA-N -1 1 324.221 3.153 20 30 DGEDMM O=C([O-])[C@@H]1CCC(=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000788954515 625302914 /nfs/dbraw/zinc/30/29/14/625302914.db2.gz LALDOYUVNGTHMQ-CYBMUJFWSA-N -1 1 320.352 3.341 20 30 DGEDMM CCCCCCCC[C@H](CO)Nc1cc(Cl)[n-]c(=O)n1 ZINC000897206539 619028935 /nfs/dbraw/zinc/02/89/35/619028935.db2.gz MKARWYXVSBUTJU-LLVKDONJSA-N -1 1 301.818 3.359 20 30 DGEDMM C[C@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC000900735995 619448236 /nfs/dbraw/zinc/44/82/36/619448236.db2.gz HUAATIFBOFIQSL-BLLLJJGKSA-N -1 1 317.339 3.239 20 30 DGEDMM Cc1cccc(CO[C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372811 619491483 /nfs/dbraw/zinc/49/14/83/619491483.db2.gz MYKFDWXQDWZCCI-AWEZNQCLSA-N -1 1 317.360 3.457 20 30 DGEDMM Cc1ccc(O[C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901376187 619491854 /nfs/dbraw/zinc/49/18/54/619491854.db2.gz QBBFXASVTMGWAQ-ZDUSSCGKSA-N -1 1 303.333 3.319 20 30 DGEDMM O=C([C@H]1Cc2cc(Cl)ccc2O1)N([O-])Cc1ccc(F)cc1 ZINC000901375901 619491881 /nfs/dbraw/zinc/49/18/81/619491881.db2.gz NHANGJZOCRYGPD-OAHLLOKOSA-N -1 1 321.735 3.201 20 30 DGEDMM N#CCc1cccc2c1CCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC000903693537 619799315 /nfs/dbraw/zinc/79/93/15/619799315.db2.gz YGCJGJKOBLEBEU-UHFFFAOYSA-N -1 1 312.394 3.071 20 30 DGEDMM COc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc1F ZINC000915988780 620612124 /nfs/dbraw/zinc/61/21/24/620612124.db2.gz HKJZDLGZMOZGEY-CHHVJCJISA-N -1 1 300.285 3.465 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(Br)c1 ZINC000916241732 620622494 /nfs/dbraw/zinc/62/24/94/620622494.db2.gz QISSUTSCOWZJGZ-UHFFFAOYSA-N -1 1 321.178 3.089 20 30 DGEDMM CC(=NNc1ccc(F)cc1F)c1cccc(OCC(=O)[O-])c1 ZINC000916250780 620622829 /nfs/dbraw/zinc/62/28/29/620622829.db2.gz LAUJYPONEHJBRE-UHFFFAOYSA-N -1 1 320.295 3.264 20 30 DGEDMM CC(=NOC1CCOCC1)c1ccc(Br)cc1[O-] ZINC000774450757 621199596 /nfs/dbraw/zinc/19/95/96/621199596.db2.gz KBVHHDBEGXBKRY-UHFFFAOYSA-N -1 1 314.179 3.074 20 30 DGEDMM COC(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1 ZINC000121351992 621308403 /nfs/dbraw/zinc/30/84/03/621308403.db2.gz OBATZNFUISZGFC-KRXBUXKQSA-N -1 1 300.285 3.214 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000755588714 621579665 /nfs/dbraw/zinc/57/96/65/621579665.db2.gz UZQNKGHHIDGAKL-BHQIHCQQSA-N -1 1 311.312 3.312 20 30 DGEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(F)c2)cnn1-c1ccccn1 ZINC000755598617 621579956 /nfs/dbraw/zinc/57/99/56/621579956.db2.gz JUOJNHBTNLGXQD-ALCCZGGFSA-N -1 1 323.327 3.317 20 30 DGEDMM C=CCCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000805104531 621671009 /nfs/dbraw/zinc/67/10/09/621671009.db2.gz VELULIYWMDPZRM-UHFFFAOYSA-N -1 1 318.420 3.071 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cccc(F)c1 ZINC000756901666 621671377 /nfs/dbraw/zinc/67/13/77/621671377.db2.gz VOECDPVUKGTLAB-UHFFFAOYSA-N -1 1 302.305 3.369 20 30 DGEDMM CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756906291 621671788 /nfs/dbraw/zinc/67/17/88/621671788.db2.gz YNUNVYKIDSITES-UHFFFAOYSA-N -1 1 314.341 3.238 20 30 DGEDMM CC(=NNCc1cc(F)ccc1F)c1cc(F)cc(F)c1[O-] ZINC000757460293 621713031 /nfs/dbraw/zinc/71/30/31/621713031.db2.gz CEAJFIOHPNKCCV-UHFFFAOYSA-N -1 1 312.266 3.462 20 30 DGEDMM CCOc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757471293 621715109 /nfs/dbraw/zinc/71/51/09/621715109.db2.gz AFMRGMCLDQAUCM-VQHVLOKHSA-N -1 1 312.321 3.385 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cc(F)c(F)c(F)c2)c1 ZINC000757473000 621715619 /nfs/dbraw/zinc/71/56/19/621715619.db2.gz LZSVYVZNEGNYKB-HNQUOIGGSA-N -1 1 322.238 3.404 20 30 DGEDMM Cc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000757475384 621715971 /nfs/dbraw/zinc/71/59/71/621715971.db2.gz JPUVRWGMCMYWCJ-VURMDHGXSA-N -1 1 312.321 3.060 20 30 DGEDMM C=C(C)C[C@@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000864530655 621780693 /nfs/dbraw/zinc/78/06/93/621780693.db2.gz JGHUGWLHZHSZPX-LLVKDONJSA-N -1 1 305.346 3.244 20 30 DGEDMM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1cccc(C#N)c1[O-] ZINC000866324279 622094310 /nfs/dbraw/zinc/09/43/10/622094310.db2.gz QKMBKYVTJRUHDY-CYBMUJFWSA-N -1 1 308.385 3.432 20 30 DGEDMM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1cccc(C#N)c1[O-] ZINC000866330523 622095380 /nfs/dbraw/zinc/09/53/80/622095380.db2.gz PNDLUUMRMOHSNJ-GFCCVEGCSA-N -1 1 321.380 3.329 20 30 DGEDMM C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cccc(C#N)c1[O-] ZINC000866359248 622102247 /nfs/dbraw/zinc/10/22/47/622102247.db2.gz QVKJGOWGRNEPSI-NXEZZACHSA-N -1 1 303.312 3.349 20 30 DGEDMM Cc1ccc2c(c1C)NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764842112 622225633 /nfs/dbraw/zinc/22/56/33/622225633.db2.gz WJZZLVYZYDEPQI-UHFFFAOYSA-N -1 1 323.381 3.076 20 30 DGEDMM CC(=NOC[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766028823 622301081 /nfs/dbraw/zinc/30/10/81/622301081.db2.gz HOFXEUQVYVKJEQ-VIFPVBQESA-N -1 1 304.173 3.476 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000870692253 622497073 /nfs/dbraw/zinc/49/70/73/622497073.db2.gz ZPJRXPVKSNECHQ-UHFFFAOYSA-N -1 1 312.291 3.337 20 30 DGEDMM Cc1cccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c1 ZINC000769811005 622563415 /nfs/dbraw/zinc/56/34/15/622563415.db2.gz XGMGCJLBAGYPND-UHFFFAOYSA-N -1 1 324.388 3.041 20 30 DGEDMM CC(C)=CCC[C@H](C)CC=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819595 622564729 /nfs/dbraw/zinc/56/47/29/622564729.db2.gz NYXYKWDFRNXTBD-LBPRGKRZSA-N -1 1 316.409 3.239 20 30 DGEDMM Cc1cccc(F)c1NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000769840713 622566714 /nfs/dbraw/zinc/56/67/14/622566714.db2.gz MRQBYFVXLNAFEM-UHFFFAOYSA-N -1 1 312.304 3.155 20 30 DGEDMM Cc1cccc(C#N)c1SCCC[N-]C(=O)C(F)(F)F ZINC000871690924 622669411 /nfs/dbraw/zinc/66/94/11/622669411.db2.gz IUOPKHQDKQTBJY-UHFFFAOYSA-N -1 1 302.321 3.027 20 30 DGEDMM CCOc1nc(C(=O)[N-]c2ccccc2SCCC#N)co1 ZINC000772912653 622953075 /nfs/dbraw/zinc/95/30/75/622953075.db2.gz WJIMEUAAISORHP-UHFFFAOYSA-N -1 1 317.370 3.331 20 30 DGEDMM N#CC1CCC(CNC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000872999075 623013985 /nfs/dbraw/zinc/01/39/85/623013985.db2.gz VWTPGFMNAINNBK-UHFFFAOYSA-N -1 1 321.808 3.175 20 30 DGEDMM CC1N=NC(=S)N1N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774572624 623161238 /nfs/dbraw/zinc/16/12/38/623161238.db2.gz BFHFXEBUWFIVEM-UHFFFAOYSA-N -1 1 318.789 3.270 20 30 DGEDMM Cc1cccc2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc21 ZINC000776324059 623412383 /nfs/dbraw/zinc/41/23/83/623412383.db2.gz WYBFDFAULYETAM-UHFFFAOYSA-N -1 1 309.350 3.434 20 30 DGEDMM CC(C[C@@H](C)CC(C)C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000779772575 623799867 /nfs/dbraw/zinc/79/98/67/623799867.db2.gz JAFNCDAZGHEUGN-LBPRGKRZSA-N -1 1 321.446 3.173 20 30 DGEDMM Cn1c(Cl)nc(Cl)c1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780187448 623875402 /nfs/dbraw/zinc/87/54/02/623875402.db2.gz DYVXHEWOPXCPPT-VURMDHGXSA-N -1 1 309.152 3.255 20 30 DGEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)co1 ZINC000781448970 624071787 /nfs/dbraw/zinc/07/17/87/624071787.db2.gz UKZRUQKSHCQQJO-LLVKDONJSA-N -1 1 302.717 3.203 20 30 DGEDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000784217815 624456625 /nfs/dbraw/zinc/45/66/25/624456625.db2.gz VEWMRAHVHWQFAZ-JTQLQIEISA-N -1 1 312.281 3.090 20 30 DGEDMM C=CC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000879774446 624672341 /nfs/dbraw/zinc/67/23/41/624672341.db2.gz IDIZSVCIJRMAOH-UHFFFAOYSA-N -1 1 312.207 3.373 20 30 DGEDMM Cc1c(C(C)N=Nc2ccccc2C(=O)[O-])cnn1C(C)C ZINC000787152014 624983941 /nfs/dbraw/zinc/98/39/41/624983941.db2.gz DAKKCZVOGTWSFT-UHFFFAOYSA-N -1 1 300.362 3.307 20 30 DGEDMM Cc1oc(C(C)C)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000796789076 626083389 /nfs/dbraw/zinc/08/33/89/626083389.db2.gz MILJXAFEHJJJBL-ZDUSSCGKSA-N -1 1 311.341 3.068 20 30 DGEDMM CC(C)c1c(Cl)ncnc1NN=Cc1cc(C(=O)[O-])cs1 ZINC000797403852 626140390 /nfs/dbraw/zinc/14/03/90/626140390.db2.gz BEYJETZPCOLPSU-UHFFFAOYSA-N -1 1 324.793 3.459 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cn2c(n1)CCCC2 ZINC000806565940 626722284 /nfs/dbraw/zinc/72/22/84/626722284.db2.gz VEPNJMGMMLDVJD-ALCCZGGFSA-N -1 1 302.761 3.475 20 30 DGEDMM COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)c(C)c1OC ZINC000806571030 626722531 /nfs/dbraw/zinc/72/25/31/626722531.db2.gz OWRMAANRHBMWKF-LZYBPNLTSA-N -1 1 312.321 3.334 20 30 DGEDMM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000136340429 627057560 /nfs/dbraw/zinc/05/75/60/627057560.db2.gz WXGZPTOQSGBRBG-SNVBAGLBSA-N -1 1 308.403 3.032 20 30 DGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811836237 627327846 /nfs/dbraw/zinc/32/78/46/627327846.db2.gz KJGIUHZMMMPJSZ-UHFFFAOYSA-N -1 1 321.789 3.024 20 30 DGEDMM COc1ccc(F)cc1/C=C1/Oc2cc([O-])cc(C)c2C1=O ZINC000812242737 627364563 /nfs/dbraw/zinc/36/45/63/627364563.db2.gz ZPZGFUFWESADIM-VIZOYTHASA-N -1 1 300.285 3.465 20 30 DGEDMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000812416860 627382755 /nfs/dbraw/zinc/38/27/55/627382755.db2.gz BJWJGQFSZRYIOQ-STQMWFEESA-N -1 1 302.374 3.094 20 30 DGEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(OCC#N)cc1 ZINC000812444750 627387026 /nfs/dbraw/zinc/38/70/26/627387026.db2.gz MTLKDDQXSNYAKR-UHFFFAOYSA-N -1 1 309.325 3.123 20 30 DGEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cc(C(F)(F)F)ccn1 ZINC000813216406 627468362 /nfs/dbraw/zinc/46/83/62/627468362.db2.gz QYOSBRPGXFKALS-AAOUONPWSA-N -1 1 305.259 3.318 20 30 DGEDMM Cc1nc(NCc2cccc(Br)c2[O-])ccc1C#N ZINC000813604047 627502449 /nfs/dbraw/zinc/50/24/49/627502449.db2.gz SLHCWDIIGHYXHC-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM O=C([O-])c1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1Cl ZINC000814708280 627585327 /nfs/dbraw/zinc/58/53/27/627585327.db2.gz FNKZCDDBSRZYCG-UHFFFAOYSA-N -1 1 314.732 3.361 20 30 DGEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1cccc([O-])c1Cl ZINC000814728874 627587031 /nfs/dbraw/zinc/58/70/31/627587031.db2.gz PAYOWONGMHGMGY-UHFFFAOYSA-N -1 1 310.810 3.106 20 30 DGEDMM Cc1c(Cl)c(/C=C2/CCc3cc([O-])ccc3C2=O)nn1C ZINC000817345693 627887183 /nfs/dbraw/zinc/88/71/83/627887183.db2.gz IILJOOAPMJLGCX-FLIBITNWSA-N -1 1 302.761 3.300 20 30 DGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)CC2CCC2)o1 ZINC000820235747 628238402 /nfs/dbraw/zinc/23/84/02/628238402.db2.gz USOGCBGBLRFZKQ-UHFFFAOYSA-N -1 1 317.397 3.031 20 30 DGEDMM N#C[C@@H](C(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000821320531 628356115 /nfs/dbraw/zinc/35/61/15/628356115.db2.gz RBOHDOQGCZGSOA-LBPRGKRZSA-N -1 1 306.277 3.016 20 30 DGEDMM C=C(C)C(C)(C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000821445105 628369839 /nfs/dbraw/zinc/36/98/39/628369839.db2.gz XGOYJWPLWJCVMC-UHFFFAOYSA-N -1 1 302.326 3.144 20 30 DGEDMM Fc1c(Cl)cccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822737215 628486596 /nfs/dbraw/zinc/48/65/96/628486596.db2.gz QPOIATCVUQZANF-UHFFFAOYSA-N -1 1 322.756 3.167 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(F)c1 ZINC000822922562 628509475 /nfs/dbraw/zinc/50/94/75/628509475.db2.gz HNYSPXWCOPSJCP-GORDUTHDSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c2ccccc12 ZINC000822924186 628510415 /nfs/dbraw/zinc/51/04/15/628510415.db2.gz YRQACVVVVCTZNP-ALCCZGGFSA-N -1 1 321.365 3.306 20 30 DGEDMM C=C[C@@](C)(CC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840477930 628540812 /nfs/dbraw/zinc/54/08/12/628540812.db2.gz MKMGZBICNMZRPX-KRWDZBQOSA-N -1 1 302.326 3.144 20 30 DGEDMM CC(=NNc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958830 628614155 /nfs/dbraw/zinc/61/41/55/628614155.db2.gz YHYHQLMOROROLO-UHFFFAOYSA-N -1 1 318.793 3.418 20 30 DGEDMM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958838 628614269 /nfs/dbraw/zinc/61/42/69/628614269.db2.gz YSSYXGQFUVOISR-UHFFFAOYSA-N -1 1 312.402 3.381 20 30 DGEDMM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825704986 628788212 /nfs/dbraw/zinc/78/82/12/628788212.db2.gz SRCCYAIHRFZNAP-FPLPWBNLSA-N -1 1 310.382 3.387 20 30 DGEDMM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825704986 628788214 /nfs/dbraw/zinc/78/82/14/628788214.db2.gz SRCCYAIHRFZNAP-FPLPWBNLSA-N -1 1 310.382 3.387 20 30 DGEDMM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826264057 628835982 /nfs/dbraw/zinc/83/59/82/628835982.db2.gz ANSRQOGGORLXGD-ONEGZZNKSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826264057 628835985 /nfs/dbraw/zinc/83/59/85/628835985.db2.gz ANSRQOGGORLXGD-ONEGZZNKSA-N -1 1 310.382 3.441 20 30 DGEDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000827718316 628985686 /nfs/dbraw/zinc/98/56/86/628985686.db2.gz QKTMGXSTTSAMRJ-QLJPJBMISA-N -1 1 316.307 3.313 20 30 DGEDMM CCOc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830044321 629219549 /nfs/dbraw/zinc/21/95/49/629219549.db2.gz LGSQHZNGSRDCBV-SFHVURJKSA-N -1 1 324.380 3.181 20 30 DGEDMM CCOc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830044320 629219744 /nfs/dbraw/zinc/21/97/44/629219744.db2.gz LGSQHZNGSRDCBV-GOSISDBHSA-N -1 1 324.380 3.181 20 30 DGEDMM CN(Cc1ccc(F)cc1F)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825445 629309045 /nfs/dbraw/zinc/30/90/45/629309045.db2.gz WQCAWTNYJUCPHU-MRXNPFEDSA-N -1 1 316.307 3.094 20 30 DGEDMM N#C[C@@H](C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2ccccc2o1 ZINC000833063337 629554497 /nfs/dbraw/zinc/55/44/97/629554497.db2.gz ILTMJCUXXBKCTA-NSHDSACASA-N -1 1 324.267 3.155 20 30 DGEDMM N#Cc1ccccc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000833074790 629555356 /nfs/dbraw/zinc/55/53/56/629555356.db2.gz CYGSPNDOKAZINO-UHFFFAOYSA-N -1 1 308.381 3.425 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1 ZINC000833310810 629582086 /nfs/dbraw/zinc/58/20/86/629582086.db2.gz UUJHPAIMJMFOAF-BHQIHCQQSA-N -1 1 304.248 3.265 20 30 DGEDMM N#Cc1ccc(CN(Cc2ccc(NC(=O)[O-])nc2)C2CC2)cc1 ZINC000833971774 629662969 /nfs/dbraw/zinc/66/29/69/629662969.db2.gz NBNJKBPYCXOTTJ-UHFFFAOYSA-N -1 1 322.368 3.208 20 30 DGEDMM N#C[C@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CC12CCCC2 ZINC000834821595 629784589 /nfs/dbraw/zinc/78/45/89/629784589.db2.gz CQRCTVVBUNAYGD-INIZCTEOSA-N -1 1 304.777 3.136 20 30 DGEDMM C[C@H](NN=Cc1cccc(Br)c1[O-])C(F)(F)F ZINC000834996564 629817973 /nfs/dbraw/zinc/81/79/73/629817973.db2.gz UBKFCKRAYBCBJR-LURJTMIESA-N -1 1 311.101 3.029 20 30 DGEDMM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000842942271 630596816 /nfs/dbraw/zinc/59/68/16/630596816.db2.gz IFUKZDRZRYXTIA-GXSJLCMTSA-N -1 1 320.414 3.175 20 30 DGEDMM C#CC[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000844001271 630706245 /nfs/dbraw/zinc/70/62/45/630706245.db2.gz JLXKUJQCQABVQB-LBPRGKRZSA-N -1 1 321.804 3.320 20 30 DGEDMM O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1ccc([O-])cc1 ZINC000844239022 630713962 /nfs/dbraw/zinc/71/39/62/630713962.db2.gz RUXMQHBXNSQRLT-WAPJZHGLSA-N -1 1 309.300 3.008 20 30 DGEDMM CCc1ccccc1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844574614 630740432 /nfs/dbraw/zinc/74/04/32/630740432.db2.gz NEXLYFYGRKDWAK-UHFFFAOYSA-N -1 1 306.369 3.374 20 30 DGEDMM CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000007055799 660465006 /nfs/dbraw/zinc/46/50/06/660465006.db2.gz YPLZXAJSBVPROJ-UHFFFAOYSA-N -1 1 300.383 3.312 20 30 DGEDMM Cn1cc(CN=Nc2ccccc2C(=O)[O-])c2cc(F)ccc21 ZINC000794850461 661109489 /nfs/dbraw/zinc/10/94/89/661109489.db2.gz ISFUHSKUCMXHMV-UHFFFAOYSA-N -1 1 311.316 3.462 20 30 DGEDMM CCC(=NNc1cccc(F)n1)c1cc(C(=O)[O-])ccc1F ZINC000795007684 661121290 /nfs/dbraw/zinc/12/12/90/661121290.db2.gz MBXQMOQMNAVGSJ-UHFFFAOYSA-N -1 1 305.284 3.284 20 30 DGEDMM COc1ccc(OC)c(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000254966908 655550095 /nfs/dbraw/zinc/55/00/95/655550095.db2.gz KMAQPJZXYHCJAG-UTCJRWHESA-N -1 1 302.301 3.445 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(OC)c(O)c2)c1 ZINC000254992827 655555730 /nfs/dbraw/zinc/55/57/30/655555730.db2.gz WCRHKSQIQLLGMJ-UTCJRWHESA-N -1 1 300.310 3.011 20 30 DGEDMM O=C(/C=C\c1ccc(-n2cccn2)cc1)c1cc(O)ccc1[O-] ZINC000255217936 655655720 /nfs/dbraw/zinc/65/57/20/655655720.db2.gz ZZRYROFPYIYTOA-YWEYNIOJSA-N -1 1 306.321 3.180 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000255376208 655720918 /nfs/dbraw/zinc/72/09/18/655720918.db2.gz WQEDRCOWKNLQSS-RJRFIUFISA-N -1 1 300.285 3.199 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccncc1 ZINC000255692654 655890072 /nfs/dbraw/zinc/89/00/72/655890072.db2.gz KPDCHEHGAVCCMG-IWQZZHSRSA-N -1 1 304.143 3.446 20 30 DGEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])cc(Cl)c1O ZINC000255911088 655965854 /nfs/dbraw/zinc/96/58/54/655965854.db2.gz MYYXXDPPHGCCKL-RQOWECAXSA-N -1 1 320.728 3.362 20 30 DGEDMM COc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c(OC)c1 ZINC000103021232 658205006 /nfs/dbraw/zinc/20/50/06/658205006.db2.gz RQKRWJAYJBRDOG-FRKPEAEDSA-N -1 1 312.321 3.334 20 30 DGEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(Cl)s1 ZINC000127880034 658534023 /nfs/dbraw/zinc/53/40/23/658534023.db2.gz DQDKDOXQAMJJEV-JTQLQIEISA-N -1 1 304.758 3.363 20 30 DGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccoc1 ZINC000130177768 659543250 /nfs/dbraw/zinc/54/32/50/659543250.db2.gz PVJNEAXWXHUXTJ-SNVBAGLBSA-N -1 1 306.680 3.033 20 30 DGEDMM C=CC[C@@H](CC)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932051541 661533357 /nfs/dbraw/zinc/53/33/57/661533357.db2.gz LGWUZSADLHHZIR-GFCCVEGCSA-N -1 1 300.362 3.054 20 30 DGEDMM C=C[C@H]1CCCCN1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932052398 661533564 /nfs/dbraw/zinc/53/35/64/661533564.db2.gz VQDXDXOZVUMEGK-AWEZNQCLSA-N -1 1 312.373 3.150 20 30 DGEDMM N#Cc1ccc(O)c(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000155864262 661853977 /nfs/dbraw/zinc/85/39/77/661853977.db2.gz URLKZZBXOXDIFY-UHFFFAOYSA-N -1 1 306.680 3.014 20 30 DGEDMM CC(C)N(C)c1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cn1 ZINC000191341020 662060787 /nfs/dbraw/zinc/06/07/87/662060787.db2.gz CLSHVLSNUIXGKX-NVNXTCNLSA-N -1 1 308.381 3.454 20 30 DGEDMM C#CCC1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCCC1 ZINC000922028697 685317278 /nfs/dbraw/zinc/31/72/78/685317278.db2.gz JKNGFXAGVTVJNY-UHFFFAOYSA-N -1 1 317.357 3.222 20 30 DGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)C1=C([O-])C(C)N=N1 ZINC001585948149 1192294698 /nfs/dbraw/zinc/29/46/98/1192294698.db2.gz CPYKUYYDROZJIU-VIFPVBQESA-N -1 1 316.386 3.070 20 30 DGEDMM C=CC[C@@H](CC)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001588540784 1192449893 /nfs/dbraw/zinc/44/98/93/1192449893.db2.gz FRPOQDSRPWFYKU-MRVPVSSYSA-N -1 1 312.299 3.047 20 30 DGEDMM C=CC[C@@H](CC)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001588540784 1192449894 /nfs/dbraw/zinc/44/98/94/1192449894.db2.gz FRPOQDSRPWFYKU-MRVPVSSYSA-N -1 1 312.299 3.047 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC3(CC3)CC2)o1 ZINC001589774018 1192473435 /nfs/dbraw/zinc/47/34/35/1192473435.db2.gz VGJMZMPNPVARBD-UHFFFAOYSA-N -1 1 315.381 3.100 20 30 DGEDMM CCCCCC(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001590587800 1192528525 /nfs/dbraw/zinc/52/85/25/1192528525.db2.gz LOASJJNCESKRSV-UHFFFAOYSA-N -1 1 319.413 3.421 20 30 DGEDMM CCCCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590592718 1192528861 /nfs/dbraw/zinc/52/88/61/1192528861.db2.gz GBJQUHWWVCLQGV-UHFFFAOYSA-N -1 1 319.409 3.330 20 30 DGEDMM CCCCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590592718 1192528863 /nfs/dbraw/zinc/52/88/63/1192528863.db2.gz GBJQUHWWVCLQGV-UHFFFAOYSA-N -1 1 319.409 3.330 20 30 DGEDMM CCCCCCCCCCn1cc(-c2nn[n-]n2)ccc1=O ZINC001590592995 1192530206 /nfs/dbraw/zinc/53/02/06/1192530206.db2.gz RLIXILCDLXLJJG-UHFFFAOYSA-N -1 1 303.410 3.169 20 30 DGEDMM Cc1cc(C#N)cc(C)c1CSc1cccnc1-c1nnn[n-]1 ZINC001591906164 1192580016 /nfs/dbraw/zinc/58/00/16/1192580016.db2.gz ZODSBRJVSWJRAQ-UHFFFAOYSA-N -1 1 322.397 3.043 20 30 DGEDMM Cc1cc(C#N)cc(C)c1CSc1cccnc1-c1nn[n-]n1 ZINC001591906164 1192580019 /nfs/dbraw/zinc/58/00/19/1192580019.db2.gz ZODSBRJVSWJRAQ-UHFFFAOYSA-N -1 1 322.397 3.043 20 30 DGEDMM C#CCC1(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CCC1 ZINC001597109315 1192719796 /nfs/dbraw/zinc/71/97/96/1192719796.db2.gz VDLVGCGCIOLSQH-UHFFFAOYSA-N -1 1 323.348 3.141 20 30 DGEDMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC000092132437 1176261514 /nfs/dbraw/zinc/26/15/14/1176261514.db2.gz GOQHDQLQVSXHBM-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM N#CCC1(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001601063279 1192914923 /nfs/dbraw/zinc/91/49/23/1192914923.db2.gz YWEMHVAXXYRBSA-LBPRGKRZSA-N -1 1 313.184 3.403 20 30 DGEDMM N#Cc1ccc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC001601099820 1192918726 /nfs/dbraw/zinc/91/87/26/1192918726.db2.gz CXOISZPQNKQNRC-BBRMVZONSA-N -1 1 302.374 3.007 20 30 DGEDMM C=CCCC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602834195 1192999208 /nfs/dbraw/zinc/99/92/08/1192999208.db2.gz KGRFLTLCEXJFEU-INIZCTEOSA-N -1 1 320.400 3.193 20 30 DGEDMM C=CCCC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602834195 1192999210 /nfs/dbraw/zinc/99/92/10/1192999210.db2.gz KGRFLTLCEXJFEU-INIZCTEOSA-N -1 1 320.400 3.193 20 30 DGEDMM CC(=NNc1cccc(C(=O)[O-])c1F)c1cnn(C(C)C)c1C ZINC001602992132 1193005159 /nfs/dbraw/zinc/00/51/59/1193005159.db2.gz KGRXJXVICZJHNO-UHFFFAOYSA-N -1 1 318.352 3.446 20 30 DGEDMM CCCCCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604175678 1193057493 /nfs/dbraw/zinc/05/74/93/1193057493.db2.gz AHCNRFYHLIKVIH-UHFFFAOYSA-N -1 1 310.383 3.219 20 30 DGEDMM CCCCCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604175678 1193057496 /nfs/dbraw/zinc/05/74/96/1193057496.db2.gz 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Cc1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)ccc1C#N ZINC000435734172 238342911 /nfs/dbraw/zinc/34/29/11/238342911.db2.gz WBONAYLMRMJYEP-UHFFFAOYSA-N -1 1 312.350 3.414 20 30 DGEDMM N#Cc1ccc(C(=O)NCCc2ccc(F)cc2Cl)cc1[O-] ZINC000442965970 239157909 /nfs/dbraw/zinc/15/79/09/239157909.db2.gz KSZBMXKOUZAKQN-UHFFFAOYSA-N -1 1 318.735 3.029 20 30 DGEDMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443280653 239187354 /nfs/dbraw/zinc/18/73/54/239187354.db2.gz CGWGOUFFSFYAKW-GDBMZVCRSA-N -1 1 320.392 3.357 20 30 DGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000076935484 283843487 /nfs/dbraw/zinc/84/34/87/283843487.db2.gz NDXJDJPUGCSKHU-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM C[C@H](OCCCNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000189927170 432106152 /nfs/dbraw/zinc/10/61/52/432106152.db2.gz LFBVHEDJICMAMQ-AWEZNQCLSA-N -1 1 324.380 3.162 20 30 DGEDMM Cc1cc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c(C)s1 ZINC000190326158 432143584 /nfs/dbraw/zinc/14/35/84/432143584.db2.gz 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N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000589189952 400271954 /nfs/dbraw/zinc/27/19/54/400271954.db2.gz DTLDLJWODKDYPN-UHFFFAOYSA-N -1 1 318.279 3.160 20 30 DGEDMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188533 400272141 /nfs/dbraw/zinc/27/21/41/400272141.db2.gz JOEJWDIDRGNYEQ-PBHICJAKSA-N -1 1 320.392 3.357 20 30 DGEDMM N#CCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589193674 400273683 /nfs/dbraw/zinc/27/36/83/400273683.db2.gz GAPWFRGCEYZLNM-QGZVFWFLSA-N -1 1 305.337 3.039 20 30 DGEDMM C[C@@]1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCc2ccccc21 ZINC000589197382 400275730 /nfs/dbraw/zinc/27/57/30/400275730.db2.gz UOPWLULWFWSDQN-FQEVSTJZSA-N -1 1 320.392 3.288 20 30 DGEDMM CCCCCc1nnc([N-]C(=O)c2snnc2CC)s1 ZINC000026559918 400259208 /nfs/dbraw/zinc/25/92/08/400259208.db2.gz RYWRAHPAYUWYKG-UHFFFAOYSA-N -1 1 311.436 3.321 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)C(F)F)c1 ZINC000590472012 400387899 /nfs/dbraw/zinc/38/78/99/400387899.db2.gz 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/nfs/dbraw/zinc/80/92/30/400809230.db2.gz QISVATBWGGIHSQ-UHFFFAOYSA-N -1 1 320.392 3.359 20 30 DGEDMM COc1ccc([C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C2CC2)cc1 ZINC000614295614 400871521 /nfs/dbraw/zinc/87/15/21/400871521.db2.gz UAGJXBZCMHGTRL-SFHVURJKSA-N -1 1 322.364 3.154 20 30 DGEDMM CCC(CC)c1nnc(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614295483 400871575 /nfs/dbraw/zinc/87/15/75/400871575.db2.gz OCMHJZFGYOXODB-UHFFFAOYSA-N -1 1 316.386 3.271 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000614293918 400871680 /nfs/dbraw/zinc/87/16/80/400871680.db2.gz FGNQSDJTVLNCNC-UHFFFAOYSA-N -1 1 310.328 3.208 20 30 DGEDMM Cc1cccc2c(CCNC(=O)c3cc([O-])cc(C#N)c3)c[nH]c21 ZINC000614370118 400887869 /nfs/dbraw/zinc/88/78/69/400887869.db2.gz IBXVCWXKPWKLIS-UHFFFAOYSA-N -1 1 319.364 3.026 20 30 DGEDMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361718 400885289 /nfs/dbraw/zinc/88/52/89/400885289.db2.gz ZNHUROUAGVWCGW-JTQLQIEISA-N -1 1 316.307 3.375 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000614363987 400885501 /nfs/dbraw/zinc/88/55/01/400885501.db2.gz YREUYOVXKDYLKV-SFHVURJKSA-N -1 1 321.380 3.416 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C ZINC000619461194 400852110 /nfs/dbraw/zinc/85/21/10/400852110.db2.gz SRYWVUBXGXOAEZ-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM COc1nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)co1 ZINC000599390666 401039662 /nfs/dbraw/zinc/03/96/62/401039662.db2.gz ONKYJHGQISJXIS-JTQLQIEISA-N -1 1 317.370 3.187 20 30 DGEDMM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C2CC2)n1 ZINC000633894521 401140870 /nfs/dbraw/zinc/14/08/70/401140870.db2.gz KZIDHOXPYMJYID-GFCCVEGCSA-N -1 1 319.368 3.147 20 30 DGEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC000615468788 401087043 /nfs/dbraw/zinc/08/70/43/401087043.db2.gz KXSIVJBHBSSZAU-KRWDZBQOSA-N -1 1 306.365 3.487 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c2cccnc12 ZINC000193126093 165318816 /nfs/dbraw/zinc/31/88/16/165318816.db2.gz VJIIRHWDTIWVHF-UHFFFAOYSA-N -1 1 323.377 3.216 20 30 DGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1C#N ZINC000137194504 432173786 /nfs/dbraw/zinc/17/37/86/432173786.db2.gz ICXUSUISVLRICD-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)cc1[O-] ZINC000190991539 432208387 /nfs/dbraw/zinc/20/83/87/432208387.db2.gz GYTRFWJTTDYBHZ-OAHLLOKOSA-N -1 1 312.756 3.335 20 30 DGEDMM Cc1nc(C(=O)[N-]c2c(C)noc2C)c(Br)s1 ZINC000330670050 229000799 /nfs/dbraw/zinc/00/07/99/229000799.db2.gz VLCBRIVRXULKNQ-UHFFFAOYSA-N -1 1 316.180 3.455 20 30 DGEDMM N#C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1Cl ZINC000346341143 229169170 /nfs/dbraw/zinc/16/91/70/229169170.db2.gz RMKVFMDZFLMZIU-GFCCVEGCSA-N -1 1 322.151 3.089 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000354454731 229294736 /nfs/dbraw/zinc/29/47/36/229294736.db2.gz AEALVCLDXDOZRU-LLVKDONJSA-N -1 1 316.158 3.038 20 30 DGEDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C#N)cs2)c(F)c1 ZINC000347146508 264164786 /nfs/dbraw/zinc/16/47/86/264164786.db2.gz AAGHVJMEXJFBCH-UHFFFAOYSA-N -1 1 306.293 3.353 20 30 DGEDMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000360732399 266415939 /nfs/dbraw/zinc/41/59/39/266415939.db2.gz LAPDOUVLXGWETE-QGZVFWFLSA-N -1 1 324.380 3.496 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc(C)c1F ZINC000357466650 267359718 /nfs/dbraw/zinc/35/97/18/267359718.db2.gz HDXQFONGRXDCBM-UHFFFAOYSA-N -1 1 322.336 3.254 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3sc(Cl)cc32)cc1[O-] ZINC000356679547 268046560 /nfs/dbraw/zinc/04/65/60/268046560.db2.gz PCYXTLYHDPVCBJ-NSHDSACASA-N -1 1 318.785 3.396 20 30 DGEDMM CC1(c2ccccc2)CC(NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000337044843 275901497 /nfs/dbraw/zinc/90/14/97/275901497.db2.gz DYIZNYHFYWHYFC-UHFFFAOYSA-N -1 1 306.365 3.114 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000070431822 431250168 /nfs/dbraw/zinc/25/01/68/431250168.db2.gz JNXUMZNUERGGRY-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1F ZINC000077704685 431618843 /nfs/dbraw/zinc/61/88/43/431618843.db2.gz WJUXQISLFRPSLO-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM CN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000032459450 431779178 /nfs/dbraw/zinc/77/91/78/431779178.db2.gz DMYXUTPNUFSPOI-UHFFFAOYSA-N -1 1 300.745 3.189 20 30 DGEDMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC000344666330 281088494 /nfs/dbraw/zinc/08/84/94/281088494.db2.gz MVKQAXNBBDMUJM-KRWDZBQOSA-N -1 1 306.365 3.380 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cn(C)nc2-c2ccncc2)c1 ZINC000156701995 432605130 /nfs/dbraw/zinc/60/51/30/432605130.db2.gz SEFKHRLJVMMNKO-GQCTYLIASA-N -1 1 319.364 3.392 20 30 DGEDMM CCOc1cc(C(=O)NC2(C#N)CCCCC2)cc(Cl)c1[O-] ZINC000186733246 432626935 /nfs/dbraw/zinc/62/69/35/432626935.db2.gz GGHLZXGJSBYPDF-UHFFFAOYSA-N -1 1 322.792 3.401 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1F ZINC000187042423 432643031 /nfs/dbraw/zinc/64/30/31/432643031.db2.gz KZPRIIKQAZAIQL-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188414435 432723390 /nfs/dbraw/zinc/72/33/90/432723390.db2.gz PCKLGUBCTWGIDH-GUYCJALGSA-N -1 1 306.365 3.282 20 30 DGEDMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188402319 432724155 /nfs/dbraw/zinc/72/41/55/432724155.db2.gz VXHQDNSKJUIWLQ-SFHVURJKSA-N -1 1 320.392 3.420 20 30 DGEDMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188414460 432724259 /nfs/dbraw/zinc/72/42/59/432724259.db2.gz PCKLGUBCTWGIDH-CXAGYDPISA-N -1 1 306.365 3.282 20 30 DGEDMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188458017 432726930 /nfs/dbraw/zinc/72/69/30/432726930.db2.gz BWLUHVRWVJKUSB-MLGOLLRUSA-N -1 1 324.355 3.421 20 30 DGEDMM CC[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccccc1C ZINC000188616199 432736202 /nfs/dbraw/zinc/73/62/02/432736202.db2.gz IHHRQXNLUCXPOE-INIZCTEOSA-N -1 1 324.380 3.160 20 30 DGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000350867336 433309452 /nfs/dbraw/zinc/30/94/52/433309452.db2.gz FWKHHSLJYRLKJS-UHFFFAOYSA-N -1 1 315.398 3.018 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-]CC#Cc1cccc(C(F)(F)F)c1 ZINC000293200337 433655949 /nfs/dbraw/zinc/65/59/49/433655949.db2.gz XAHGPIHYZQPUSG-UHFFFAOYSA-N -1 1 317.257 3.385 20 30 DGEDMM C=CCC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000295398036 434346368 /nfs/dbraw/zinc/34/63/68/434346368.db2.gz QKMZPMQGDTXWJF-UHFFFAOYSA-N -1 1 312.207 3.373 20 30 DGEDMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000360511467 434626066 /nfs/dbraw/zinc/62/60/66/434626066.db2.gz AZQIUVFTSYLSIA-MRXNPFEDSA-N -1 1 324.380 3.496 20 30 DGEDMM CCCc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)co1 ZINC000555189214 434964319 /nfs/dbraw/zinc/96/43/19/434964319.db2.gz MRFCAIKYGCQKAG-LLVKDONJSA-N -1 1 308.341 3.302 20 30 DGEDMM C=CC(C)(C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000648490563 435320108 /nfs/dbraw/zinc/32/01/08/435320108.db2.gz MTNTZQGSLZWKPN-UHFFFAOYSA-N -1 1 301.386 3.026 20 30 DGEDMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C#N)ccc1OCC ZINC000582967244 324297417 /nfs/dbraw/zinc/29/74/17/324297417.db2.gz CTVSUVFMVQGBNE-CYBMUJFWSA-N -1 1 310.419 3.277 20 30 DGEDMM N#C[C@@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC12CCCC2 ZINC000556155937 341495838 /nfs/dbraw/zinc/49/58/38/341495838.db2.gz FMWBETHKHPIWBX-GOSISDBHSA-N -1 1 322.368 3.195 20 30 DGEDMM COC(=O)c1c[n-]c(SCc2ccc(C#N)cc2Cl)n1 ZINC000432659456 534307691 /nfs/dbraw/zinc/30/76/91/534307691.db2.gz QGGQEZDSSQOJQB-UHFFFAOYSA-N -1 1 307.762 3.014 20 30 DGEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)OCC ZINC000339585754 526751898 /nfs/dbraw/zinc/75/18/98/526751898.db2.gz AXFYPBWDKJZHDM-OAHLLOKOSA-N -1 1 315.373 3.092 20 30 DGEDMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000443416690 528679541 /nfs/dbraw/zinc/67/95/41/528679541.db2.gz UJUCZAMPURNKPJ-UHFFFAOYSA-N -1 1 316.382 3.066 20 30 DGEDMM N#CC(=C([O-])c1ccn(C(F)F)n1)c1ccc2ccccc2n1 ZINC000678922639 548792278 /nfs/dbraw/zinc/79/22/78/548792278.db2.gz WRQXTSPNAZSQHX-NSHDSACASA-N -1 1 312.279 3.316 20 30 DGEDMM N#CC(=C([O-])c1ccccc1Oc1cccnc1)c1ccncn1 ZINC000680618123 549076375 /nfs/dbraw/zinc/07/63/75/549076375.db2.gz MUFGOAQFYQJGAT-OAHLLOKOSA-N -1 1 316.320 3.154 20 30 DGEDMM C=CCCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000735412512 574700021 /nfs/dbraw/zinc/70/00/21/574700021.db2.gz DYWWCMAHFVWZRU-UHFFFAOYSA-N -1 1 308.345 3.042 20 30 DGEDMM CCCCC(CC)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736438732 574751608 /nfs/dbraw/zinc/75/16/08/574751608.db2.gz KFPIEPLGLSZTIV-UHFFFAOYSA-N -1 1 319.413 3.421 20 30 DGEDMM Cc1ccccc1C(=NNc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000737414888 574842102 /nfs/dbraw/zinc/84/21/02/574842102.db2.gz FMFYJJYHFQCVPH-UHFFFAOYSA-N -1 1 318.384 3.401 20 30 DGEDMM CCCCCC(CCCCC)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000743442039 575051847 /nfs/dbraw/zinc/05/18/47/575051847.db2.gz QBHUIHQXMVTMNB-UHFFFAOYSA-N -1 1 318.425 3.361 20 30 DGEDMM C[C@@H](Oc1cccc(CN=Nc2ccccc2F)c1)C(=O)[O-] ZINC000746682070 575469462 /nfs/dbraw/zinc/46/94/62/575469462.db2.gz KGXWVZOECSMGJX-LLVKDONJSA-N -1 1 302.305 3.124 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccs3)nc1-2 ZINC000750722952 575746954 /nfs/dbraw/zinc/74/69/54/575746954.db2.gz GDLWXGIPEYXNBQ-ZYOFXKKJSA-N -1 1 308.366 3.218 20 30 DGEDMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc(C#N)c([O-])c1 ZINC000598470768 575837886 /nfs/dbraw/zinc/83/78/86/575837886.db2.gz RQROCDBKPXYWKZ-INIZCTEOSA-N -1 1 306.365 3.066 20 30 DGEDMM CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000727776856 576144865 /nfs/dbraw/zinc/14/48/65/576144865.db2.gz IZKLEYAFFZXGEY-YGRLFVJLSA-N -1 1 323.437 3.298 20 30 DGEDMM COCCOc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1 ZINC000917144100 620658701 /nfs/dbraw/zinc/65/87/01/620658701.db2.gz YVCYJZJOVKNUNZ-LICLKQGHSA-N -1 1 312.321 3.034 20 30 DGEDMM CCn1c2ccccc2nc1CN=Nc1ccccc1C(=O)[O-] ZINC000917542882 620673151 /nfs/dbraw/zinc/67/31/51/620673151.db2.gz WTRRYHMEVONXEL-UHFFFAOYSA-N -1 1 308.341 3.200 20 30 DGEDMM CC(C)(C)c1csc(NC(=O)[N-]O[C@H]2CCCCO2)c1C#N ZINC000888222837 619135379 /nfs/dbraw/zinc/13/53/79/619135379.db2.gz QVKIXKUPNYNEGT-LBPRGKRZSA-N -1 1 323.418 3.497 20 30 DGEDMM CC(C)(C)c1csc(NC(=O)[N-]O[C@@H]2CCCCO2)c1C#N ZINC000888222836 619135390 /nfs/dbraw/zinc/13/53/90/619135390.db2.gz QVKIXKUPNYNEGT-GFCCVEGCSA-N -1 1 323.418 3.497 20 30 DGEDMM N#CC[C@@H]1CC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897889556 619192315 /nfs/dbraw/zinc/19/23/15/619192315.db2.gz SLOANFDNGPOTFC-AAEUAGOBSA-N -1 1 310.353 3.063 20 30 DGEDMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H]1CCC[C@H]1C#N ZINC000899167371 619316026 /nfs/dbraw/zinc/31/60/26/619316026.db2.gz WEZNNMWTSZWZPQ-LRDDRELGSA-N -1 1 310.353 3.015 20 30 DGEDMM C[C@H](Oc1ccc(F)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094526 619404053 /nfs/dbraw/zinc/40/40/53/619404053.db2.gz OLJKZHCNTQFKJK-NSHDSACASA-N -1 1 307.296 3.150 20 30 DGEDMM Cc1cc(C)cc(OCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901378630 619492410 /nfs/dbraw/zinc/49/24/10/619492410.db2.gz JHHREMOTKNWJHX-UHFFFAOYSA-N -1 1 303.333 3.239 20 30 DGEDMM CCCCCCCCCS(=O)(=O)Nc1nc(C(F)F)n[nH]1 ZINC000903149720 619729038 /nfs/dbraw/zinc/72/90/38/619729038.db2.gz DFKYUTBLGJBXAJ-UHFFFAOYSA-N -1 1 324.397 3.235 20 30 DGEDMM CCCCCCN([O-])C(=O)C(=O)c1ccc(OC)c(Cl)c1 ZINC000904204541 619898124 /nfs/dbraw/zinc/89/81/24/619898124.db2.gz OFITVRTZRNKYSL-UHFFFAOYSA-N -1 1 313.781 3.329 20 30 DGEDMM CCCCCCCCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000913459143 620444101 /nfs/dbraw/zinc/44/41/01/620444101.db2.gz LWYPMNFJPZDQNP-UHFFFAOYSA-N -1 1 315.417 3.404 20 30 DGEDMM CC(=NNc1ccc(F)cc1F)c1ccc(CC(=O)[O-])cc1 ZINC000915933961 620608869 /nfs/dbraw/zinc/60/88/69/620608869.db2.gz NMODLCDJXBFMPR-UHFFFAOYSA-N -1 1 304.296 3.428 20 30 DGEDMM C#CCCN(CC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000768617539 620881065 /nfs/dbraw/zinc/88/10/65/620881065.db2.gz HJHKAYYZTRXUAU-UHFFFAOYSA-N -1 1 305.683 3.073 20 30 DGEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(F)c2)nnn1-c1ccccc1 ZINC000755589523 621579512 /nfs/dbraw/zinc/57/95/12/621579512.db2.gz VDIPIBLQNVOQAH-CSKARUKUSA-N -1 1 323.327 3.317 20 30 DGEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(F)c2)c(C#N)c2n1CCC2 ZINC000755595077 621580107 /nfs/dbraw/zinc/58/01/07/621580107.db2.gz WTBDHUVHVLCPRJ-FNORWQNLSA-N -1 1 310.328 3.355 20 30 DGEDMM [O-]c1c(F)cccc1C=NNc1ccc(Br)nc1 ZINC000755719715 621587953 /nfs/dbraw/zinc/58/79/53/621587953.db2.gz ADJBBJCZVPZZIA-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\C2=Cc3ccccc3OC2)c1 ZINC000757471475 621714758 /nfs/dbraw/zinc/71/47/58/621714758.db2.gz CXRJBDCGRSHTEQ-ALCCZGGFSA-N -1 1 322.316 3.305 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(F)c(F)c2)c1 ZINC000757472535 621714769 /nfs/dbraw/zinc/71/47/69/621714769.db2.gz KACYIECAVXOQDC-DJWKRKHSSA-N -1 1 304.248 3.265 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cn(-c3ccccc3)nn2)c1 ZINC000757475120 621716074 /nfs/dbraw/zinc/71/60/74/621716074.db2.gz HTNIFAQXISDQPM-NTMALXAHSA-N -1 1 305.337 3.177 20 30 DGEDMM CC(=NNc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758093505 621757399 /nfs/dbraw/zinc/75/73/99/621757399.db2.gz WPAYGUOLFFXKOK-UHFFFAOYSA-N -1 1 311.301 3.013 20 30 DGEDMM Cc1ccc(F)c(N=NCc2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000759665045 621880306 /nfs/dbraw/zinc/88/03/06/621880306.db2.gz DZRNOKURWOWUJZ-LBPRGKRZSA-N -1 1 316.332 3.432 20 30 DGEDMM CC(C)[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000867703596 622180329 /nfs/dbraw/zinc/18/03/29/622180329.db2.gz WMCZSDBHWULMEU-LURJTMIESA-N -1 1 301.177 3.277 20 30 DGEDMM COC(=O)c1coc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c1 ZINC000766502749 622334958 /nfs/dbraw/zinc/33/49/58/622334958.db2.gz QATAGISPOCLZIR-HYXAFXHYSA-N -1 1 306.701 3.321 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000869711277 622394453 /nfs/dbraw/zinc/39/44/53/622394453.db2.gz MSRAQSKGGJUIOH-LLVKDONJSA-N -1 1 323.261 3.066 20 30 DGEDMM [O-]c1c(F)cc(Cl)cc1CN=Nc1ccc(Cl)nn1 ZINC000768358878 622451969 /nfs/dbraw/zinc/45/19/69/622451969.db2.gz ZEQCGQKXVHKMOT-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM CCOc1ccc(C[C@@H](C)C(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC000870690639 622496884 /nfs/dbraw/zinc/49/68/84/622496884.db2.gz RWVDGFBDFNKXOX-CQSZACIVSA-N -1 1 324.380 3.246 20 30 DGEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@H](C)C1CCCCC1 ZINC000769818691 622564634 /nfs/dbraw/zinc/56/46/34/622564634.db2.gz IUNHRXCNBCJOKH-JTQLQIEISA-N -1 1 316.409 3.073 20 30 DGEDMM O=C([O-])c1ccccc1N=NCc1nccn1-c1ccccc1 ZINC000790149193 625609415 /nfs/dbraw/zinc/60/94/15/625609415.db2.gz JMFHRNCSZVAJLF-UHFFFAOYSA-N -1 1 306.325 3.017 20 30 DGEDMM Cc1cc(C#N)ccc1COC(=O)c1c([O-])cc(F)cc1F ZINC000777044695 623490311 /nfs/dbraw/zinc/49/03/11/623490311.db2.gz LKMXPBWTXZCIGX-UHFFFAOYSA-N -1 1 303.264 3.208 20 30 DGEDMM CC(=NNc1ccc2n[nH]cc2c1)c1cc(F)cc(F)c1[O-] ZINC000779817252 623812057 /nfs/dbraw/zinc/81/20/57/623812057.db2.gz DHCTVEMQIUYGHR-UHFFFAOYSA-N -1 1 302.284 3.383 20 30 DGEDMM Cc1cc(Br)c([O-])c(C=NOCc2cccnc2)c1 ZINC000781596420 624101333 /nfs/dbraw/zinc/10/13/33/624101333.db2.gz FPNUOAIBVMPCGV-UHFFFAOYSA-N -1 1 321.174 3.409 20 30 DGEDMM COc1cc2c(cc1F)CCC2N=Nc1ccccc1C(=O)[O-] ZINC000799108381 626272344 /nfs/dbraw/zinc/27/23/44/626272344.db2.gz VGAULLUPMXMTOQ-UHFFFAOYSA-N -1 1 314.316 3.295 20 30 DGEDMM Cn1cc(-c2ccc(/C=C3\Oc4cc([O-])ccc4C3=O)s2)cn1 ZINC000800793140 626374544 /nfs/dbraw/zinc/37/45/44/626374544.db2.gz MBWKYFULHKHYJD-CHHVJCJISA-N -1 1 324.361 3.470 20 30 DGEDMM CC(C)c1ccc(-n2cc([O-])c(C(=O)OCCCC#N)n2)cc1 ZINC000801410400 626403225 /nfs/dbraw/zinc/40/32/25/626403225.db2.gz ICOWOKWHJWULFV-UHFFFAOYSA-N -1 1 313.357 3.162 20 30 DGEDMM COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc1F ZINC000806558642 626720682 /nfs/dbraw/zinc/72/06/82/626720682.db2.gz IDIIGCXVTKTVBM-QHHAFSJGSA-N -1 1 316.284 3.134 20 30 DGEDMM CCOc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)c1 ZINC000806558910 626721070 /nfs/dbraw/zinc/72/10/70/626721070.db2.gz PEBKVZANKSNCTK-RMKNXTFCSA-N -1 1 312.321 3.385 20 30 DGEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000134855175 626888621 /nfs/dbraw/zinc/88/86/21/626888621.db2.gz AVVGAJTWGBDEEE-UHFFFAOYSA-N -1 1 300.594 3.024 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000809579519 626922532 /nfs/dbraw/zinc/92/25/32/626922532.db2.gz ZBBRWUZAUPZQDZ-UHFFFAOYSA-N -1 1 310.357 3.218 20 30 DGEDMM CCN(CC)c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000809614085 626926657 /nfs/dbraw/zinc/92/66/57/626926657.db2.gz JSCJNLNJVJZHDZ-UHFFFAOYSA-N -1 1 323.396 3.040 20 30 DGEDMM C=CCC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCOCC1 ZINC000885679877 627043018 /nfs/dbraw/zinc/04/30/18/627043018.db2.gz ICRFAIADQRAMOV-UHFFFAOYSA-N -1 1 313.756 3.496 20 30 DGEDMM COc1ccc(F)cc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000812243366 627364604 /nfs/dbraw/zinc/36/46/04/627364604.db2.gz KLEAEOAWLKUXKW-DJWKRKHSSA-N -1 1 316.284 3.134 20 30 DGEDMM C#C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(C)(C)C ZINC000813775764 627511221 /nfs/dbraw/zinc/51/12/21/627511221.db2.gz LIQJSHOWXUQKFS-CYBMUJFWSA-N -1 1 309.793 3.222 20 30 DGEDMM C#C[C@@H]([N-]C(=O)C(F)(F)CC=C)c1ccc(Cl)cc1F ZINC000816644076 627819360 /nfs/dbraw/zinc/81/93/60/627819360.db2.gz BKBVINUCAWQQKT-GFCCVEGCSA-N -1 1 301.695 3.481 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cnnn1-c1ccccc1 ZINC000821008938 628325239 /nfs/dbraw/zinc/32/52/39/628325239.db2.gz UXLYHOSNMVVVAP-VQHVLOKHSA-N -1 1 309.300 3.008 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(Cl)c1 ZINC000822924143 628509936 /nfs/dbraw/zinc/50/99/36/628509936.db2.gz YLQIRLNTFPTKBZ-GQCTYLIASA-N -1 1 316.773 3.478 20 30 DGEDMM C=CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825702924 628787183 /nfs/dbraw/zinc/78/71/83/628787183.db2.gz ZWJCFEAXTLKUDY-GOSISDBHSA-N -1 1 322.364 3.039 20 30 DGEDMM CCc1ccccc1NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825728784 628791949 /nfs/dbraw/zinc/79/19/49/628791949.db2.gz ZVSQFYAHRHIZQK-UHFFFAOYSA-N -1 1 312.402 3.327 20 30 DGEDMM O=C([O-])c1ccccc1N=NCc1ccc(-n2cccn2)cc1 ZINC000833783731 629650432 /nfs/dbraw/zinc/65/04/32/629650432.db2.gz HKPVWNVBXZPGQX-UHFFFAOYSA-N -1 1 306.325 3.017 20 30 DGEDMM N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])s1 ZINC000833972268 629664625 /nfs/dbraw/zinc/66/46/25/629664625.db2.gz YBJWQACMBGDYBV-CABCVRRESA-N -1 1 319.430 3.117 20 30 DGEDMM O=C([N-]CC(F)(F)c1ccc(F)cc1F)C(F)C(F)(F)F ZINC000834295735 629687491 /nfs/dbraw/zinc/68/74/91/629687491.db2.gz UCCBEHYNGKTYFP-QMMMGPOBSA-N -1 1 321.167 3.073 20 30 DGEDMM CC[C@@H](C)CC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000834957377 629812886 /nfs/dbraw/zinc/81/28/86/629812886.db2.gz IUOQMDSIRVMZTP-SNVBAGLBSA-N -1 1 304.398 3.121 20 30 DGEDMM C[C@H](NN=Cc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000834995341 629817620 /nfs/dbraw/zinc/81/76/20/629817620.db2.gz BQGBHPBDEIWFPR-LURJTMIESA-N -1 1 311.101 3.029 20 30 DGEDMM C#CC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000843681795 630687198 /nfs/dbraw/zinc/68/71/98/630687198.db2.gz PPFJGPRUYRENRO-LLVKDONJSA-N -1 1 322.202 3.030 20 30 DGEDMM C=C[C@H](C)O[N-]C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000846552235 631259929 /nfs/dbraw/zinc/25/99/29/631259929.db2.gz CSEQYDSZTJUYQF-NSHDSACASA-N -1 1 301.342 3.109 20 30 DGEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])c(OC)c1 ZINC000255843176 655911207 /nfs/dbraw/zinc/91/12/07/655911207.db2.gz HOMVMWKJDBDBSW-DAXSKMNVSA-N -1 1 300.310 3.011 20 30 DGEDMM O=C(/C=C/c1cccc(-n2cccn2)c1)c1cc(O)ccc1[O-] ZINC000157263689 661866692 /nfs/dbraw/zinc/86/66/92/661866692.db2.gz WCEMXIHESSGTOV-FNORWQNLSA-N -1 1 306.321 3.180 20 30 DGEDMM Cc1cccc([O-])c1C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC001583609029 1192153379 /nfs/dbraw/zinc/15/33/79/1192153379.db2.gz PLBUHKDJCKTQPD-UHFFFAOYSA-N -1 1 306.325 3.009 20 30 DGEDMM C=C(CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588444193 1192447641 /nfs/dbraw/zinc/44/76/41/1192447641.db2.gz PURSZBXVFPSJAU-UHFFFAOYSA-N -1 1 318.793 3.102 20 30 DGEDMM C=C(CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588444193 1192447644 /nfs/dbraw/zinc/44/76/44/1192447644.db2.gz PURSZBXVFPSJAU-UHFFFAOYSA-N -1 1 318.793 3.102 20 30 DGEDMM C=CCCc1ccccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001588621109 1192451195 /nfs/dbraw/zinc/45/11/95/1192451195.db2.gz VVBGZQXKRTXVKL-UHFFFAOYSA-N -1 1 312.402 3.054 20 30 DGEDMM C=CCCc1ccccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001588621109 1192451198 /nfs/dbraw/zinc/45/11/98/1192451198.db2.gz VVBGZQXKRTXVKL-UHFFFAOYSA-N -1 1 312.402 3.054 20 30 DGEDMM C=CCC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588579052 1192451842 /nfs/dbraw/zinc/45/18/42/1192451842.db2.gz JWIXVGOWSMHFIY-MRXNPFEDSA-N -1 1 320.400 3.111 20 30 DGEDMM C=CCC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588579052 1192451845 /nfs/dbraw/zinc/45/18/45/1192451845.db2.gz JWIXVGOWSMHFIY-MRXNPFEDSA-N -1 1 320.400 3.111 20 30 DGEDMM C=CCCC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001588594480 1192451873 /nfs/dbraw/zinc/45/18/73/1192451873.db2.gz UCVNSTRSWUJNGL-AWEZNQCLSA-N -1 1 321.388 3.166 20 30 DGEDMM C=CCCC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588594480 1192451875 /nfs/dbraw/zinc/45/18/75/1192451875.db2.gz UCVNSTRSWUJNGL-AWEZNQCLSA-N -1 1 321.388 3.166 20 30 DGEDMM CCCCCCCCCN(C)c1cccc(-c2nnn[n-]2)n1 ZINC001590593176 1192530580 /nfs/dbraw/zinc/53/05/80/1192530580.db2.gz ZEMIWHLZHQLLDK-UHFFFAOYSA-N -1 1 302.426 3.449 20 30 DGEDMM CCCCCCCCCN(C)c1cccc(-c2nn[n-]n2)n1 ZINC001590593176 1192530583 /nfs/dbraw/zinc/53/05/83/1192530583.db2.gz ZEMIWHLZHQLLDK-UHFFFAOYSA-N -1 1 302.426 3.449 20 30 DGEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CCC#N)cc2)c1 ZINC001596631135 1192699055 /nfs/dbraw/zinc/69/90/55/1192699055.db2.gz ABURQTVQCSUYAL-UHFFFAOYSA-N -1 1 323.352 3.059 20 30 DGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000395467121 1176788542 /nfs/dbraw/zinc/78/85/42/1176788542.db2.gz ZOPVAFLGWFMREN-UHFFFAOYSA-N -1 1 322.336 3.491 20 30 DGEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC001598356489 1192771996 /nfs/dbraw/zinc/77/19/96/1192771996.db2.gz ACSUDZXZDCJTOM-UHFFFAOYSA-N -1 1 322.339 3.332 20 30 DGEDMM Cc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)[nH]c1C(=O)[O-] ZINC001600191768 1192801438 /nfs/dbraw/zinc/80/14/38/1192801438.db2.gz GGVOZXSTEYRDEB-UHFFFAOYSA-N -1 1 321.380 3.182 20 30 DGEDMM N#Cc1c(CN(CCc2ccccc2)C2CC2)cccc1C(=O)[O-] ZINC001601080881 1192916381 /nfs/dbraw/zinc/91/63/81/1192916381.db2.gz FIBKEHILPLMALY-UHFFFAOYSA-N -1 1 320.392 3.464 20 30 DGEDMM N#Cc1c(CN2CC[C@H](c3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC001601082321 1192916538 /nfs/dbraw/zinc/91/65/38/1192916538.db2.gz YEOFHBNHUVNRJD-AWEZNQCLSA-N -1 1 324.355 3.385 20 30 DGEDMM N#Cc1ccc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC001601099823 1192918609 /nfs/dbraw/zinc/91/86/09/1192918609.db2.gz CXOISZPQNKQNRC-CJNGLKHVSA-N -1 1 302.374 3.007 20 30 DGEDMM O=C([O-])c1c(F)cccc1N=NCc1ccnn1-c1ccccc1 ZINC001602231029 1192963959 /nfs/dbraw/zinc/96/39/59/1192963959.db2.gz RPQQSDBFCORVGL-UHFFFAOYSA-N -1 1 324.315 3.156 20 30 DGEDMM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC001603826781 1193033377 /nfs/dbraw/zinc/03/33/77/1193033377.db2.gz MMFAEPBBWLQZFT-TVNQGELYSA-N -1 1 308.366 3.312 20 30 DGEDMM C[C@H](Oc1ccc(CNCC2(C#N)CCCCC2)cc1)C(=O)[O-] ZINC001604429809 1193072291 /nfs/dbraw/zinc/07/22/91/1193072291.db2.gz GXYABKJYZOFVDU-AWEZNQCLSA-N -1 1 316.401 3.102 20 30 DGEDMM N#Cc1ccc(F)c([N-]C(=O)c2scnc2C(F)(F)F)c1 ZINC001436643660 1181902610 /nfs/dbraw/zinc/90/26/10/1181902610.db2.gz JRADSDXYBZSNBR-UHFFFAOYSA-N -1 1 315.251 3.425 20 30 DGEDMM Cc1ccc2oc(CNC(=O)c3ccc(C#N)c([O-])c3)cc2c1 ZINC001470155250 1183466089 /nfs/dbraw/zinc/46/60/89/1183466089.db2.gz DUTSJNPKOZEJQN-UHFFFAOYSA-N -1 1 306.321 3.249 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)cc1[O-] ZINC001471502427 1183569773 /nfs/dbraw/zinc/56/97/73/1183569773.db2.gz FUJGJAMJVJKOFD-WBVHZDCISA-N -1 1 310.328 3.019 20 30 DGEDMM O=C(c1ncc(Cl)s1)N([O-])Cc1ccccc1Cl ZINC001472620146 1183656634 /nfs/dbraw/zinc/65/66/34/1183656634.db2.gz QXRKXNNSUCZUIT-UHFFFAOYSA-N -1 1 303.170 3.482 20 30 DGEDMM Cc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001607752179 1193253432 /nfs/dbraw/zinc/25/34/32/1193253432.db2.gz UCVGENMHAPHADE-LLVKDONJSA-N -1 1 300.383 3.477 20 30 DGEDMM N#CC1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001608180125 1193281580 /nfs/dbraw/zinc/28/15/80/1193281580.db2.gz UUKPUZFXLWOOCJ-ZDUSSCGKSA-N -1 1 312.291 3.067 20 30 DGEDMM N#Cc1ccc(CNCc2csc(C(=O)[O-])c2)cc1Cl ZINC001608207362 1193282839 /nfs/dbraw/zinc/28/28/39/1193282839.db2.gz GLICRRKFDMUXFZ-UHFFFAOYSA-N -1 1 306.774 3.261 20 30 DGEDMM O=C([O-])CCC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC001608713564 1193301052 /nfs/dbraw/zinc/30/10/52/1193301052.db2.gz MGSRPSHDMBKPFE-UHFFFAOYSA-N -1 1 307.393 3.405 20 30 DGEDMM C=C(C)CN(Cc1ccc(CO)o1)Cc1ccccc1C(=O)[O-] ZINC001609248281 1193332568 /nfs/dbraw/zinc/33/25/68/1193332568.db2.gz JNRVMYJSRUMOCU-UHFFFAOYSA-N -1 1 315.369 3.048 20 30 DGEDMM N#CC(=C([O-])c1cncnc1-c1ccccc1)c1cccc(F)n1 ZINC001516820717 1186792961 /nfs/dbraw/zinc/79/29/61/1186792961.db2.gz PINUZEJLYGKOLJ-ZDUSSCGKSA-N -1 1 318.311 3.168 20 30 DGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1F ZINC001542435776 1188284977 /nfs/dbraw/zinc/28/49/77/1188284977.db2.gz SOIHMVPXRMFXKG-UHFFFAOYSA-N -1 1 312.344 3.454 20 30 DGEDMM N#CC[C@H](C(=O)Nc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001556592467 1189008881 /nfs/dbraw/zinc/00/88/81/1189008881.db2.gz OHSOCRDMPGLOTI-NSHDSACASA-N -1 1 302.280 3.306 20 30 DGEDMM C#CCCOc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001557086728 1189039854 /nfs/dbraw/zinc/03/98/54/1189039854.db2.gz BSHWBONXIKCSJF-UHFFFAOYSA-N -1 1 317.291 3.325 20 30 DGEDMM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001569013001 1190608090 /nfs/dbraw/zinc/60/80/90/1190608090.db2.gz XRPFKUASCJRKAB-NWDGAFQWSA-N -1 1 314.291 3.284 20 30 DGEDMM N#Cc1ccc(SCC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001623996899 1193975089 /nfs/dbraw/zinc/97/50/89/1193975089.db2.gz CTPSJVRIBFTSAI-UHFFFAOYSA-N -1 1 320.320 3.273 20 30 DGEDMM C=CCO[N-]C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001624259483 1193988975 /nfs/dbraw/zinc/98/89/75/1193988975.db2.gz NEJZJQYFUGJTST-CQSZACIVSA-N -1 1 309.365 3.255 20 30 DGEDMM N#Cc1cc(Br)ccc1C(=O)Nc1ccccc1[O-] ZINC001626384899 1194074332 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DGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCC2CC2)cc1 ZINC000755683372 621585790 /nfs/dbraw/zinc/58/57/90/621585790.db2.gz PQJBAIOZBWIZRC-UHFFFAOYSA-N -1 1 315.398 3.295 20 30 DGEDMM CC(=NNCC(F)(F)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000863179888 621645555 /nfs/dbraw/zinc/64/55/55/621645555.db2.gz UPICKWAHUOXUCZ-UHFFFAOYSA-N -1 1 300.202 3.043 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(OC)c(F)c2)c1 ZINC000757467512 621714347 /nfs/dbraw/zinc/71/43/47/621714347.db2.gz FFXCQBFFKXVVAU-ZZXKWVIFSA-N -1 1 302.301 3.445 20 30 DGEDMM O=C(/C=C\c1cccc2c1OCCCO2)c1cc(O)ccc1[O-] ZINC000757467660 621714518 /nfs/dbraw/zinc/71/45/18/621714518.db2.gz INPUAUYNXOGEAL-ALCCZGGFSA-N -1 1 312.321 3.155 20 30 DGEDMM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccccc2O)cc1 ZINC000757473735 621715403 /nfs/dbraw/zinc/71/54/03/621715403.db2.gz HFMJPUHHOXIQAM-YFHOEESVSA-N -1 1 312.321 3.142 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(F)cc2F)c1 ZINC000757474540 621715572 /nfs/dbraw/zinc/71/55/72/621715572.db2.gz UULQFROBMZBQEI-DJWKRKHSSA-N 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CCCCCCCS(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000799638684 626316328 /nfs/dbraw/zinc/31/63/28/626316328.db2.gz SMMZUJTXRAQRLN-UHFFFAOYSA-N -1 1 301.456 3.419 20 30 DGEDMM Cc1nn(-c2ccccn2)c(C)c1/C=C\C(=O)c1ccc([O-])cc1 ZINC000802703449 626566833 /nfs/dbraw/zinc/56/68/33/626566833.db2.gz DVBXDESIDNXSRE-KHPPLWFESA-N -1 1 319.364 3.486 20 30 DGEDMM N#CCOc1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000809470679 626914408 /nfs/dbraw/zinc/91/44/08/626914408.db2.gz KMBJIUWMRUCZCE-UHFFFAOYSA-N -1 1 311.272 3.151 20 30 DGEDMM Cc1cccnc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000889888667 627477578 /nfs/dbraw/zinc/47/75/78/627477578.db2.gz APPIGQMGRJJRNC-QGZVFWFLSA-N -1 1 323.396 3.485 20 30 DGEDMM CC1(C)CC(=NNc2ccc(C(=O)[O-])cn2)c2sccc2O1 ZINC000814889942 627603669 /nfs/dbraw/zinc/60/36/69/627603669.db2.gz FFJBMOKYCDXLLF-UHFFFAOYSA-N -1 1 317.370 3.219 20 30 DGEDMM CC(N=Nc1nccnc1C1CCC1)c1csc(C(=O)[O-])c1 ZINC000814931743 627609929 /nfs/dbraw/zinc/60/99/29/627609929.db2.gz CVCXSXWLOMXBBB-UHFFFAOYSA-N -1 1 316.386 3.340 20 30 DGEDMM CC(C)c1csc(C(C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820061949 628219450 /nfs/dbraw/zinc/21/94/50/628219450.db2.gz VBHWAXRTBXLROR-LBPRGKRZSA-N -1 1 314.366 3.455 20 30 DGEDMM N#Cc1ccc(Sc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000822833404 628500249 /nfs/dbraw/zinc/50/02/49/628500249.db2.gz PZHGMENMHLWEJT-UHFFFAOYSA-N -1 1 315.308 3.168 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(F)c1 ZINC000822922560 628509651 /nfs/dbraw/zinc/50/96/51/628509651.db2.gz HNYSPXWCOPSJCP-DJWKRKHSSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1Cl ZINC000822929183 628510378 /nfs/dbraw/zinc/51/03/78/628510378.db2.gz RAFMURCXPFQIJU-FNORWQNLSA-N -1 1 316.773 3.478 20 30 DGEDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000826054878 628823719 /nfs/dbraw/zinc/82/37/19/628823719.db2.gz RSSPIWLIIDBAJV-YVEFUNNKSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826285433 628839063 /nfs/dbraw/zinc/83/90/63/628839063.db2.gz ZSVAMDCXMHNSSM-AATRIKPKSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826285433 628839065 /nfs/dbraw/zinc/83/90/65/628839065.db2.gz ZSVAMDCXMHNSSM-AATRIKPKSA-N -1 1 310.382 3.441 20 30 DGEDMM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400101 628851466 /nfs/dbraw/zinc/85/14/66/628851466.db2.gz PBMNIUVPETYGSF-MVTUOISNSA-N -1 1 308.366 3.381 20 30 DGEDMM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400101 628851468 /nfs/dbraw/zinc/85/14/68/628851468.db2.gz PBMNIUVPETYGSF-MVTUOISNSA-N -1 1 308.366 3.381 20 30 DGEDMM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400423 628851905 /nfs/dbraw/zinc/85/19/05/628851905.db2.gz YVIGTPNYJXRLSH-DAFODLJHSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400423 628851910 /nfs/dbraw/zinc/85/19/10/628851910.db2.gz YVIGTPNYJXRLSH-DAFODLJHSA-N -1 1 318.308 3.103 20 30 DGEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cc(F)ccc1F ZINC000827716905 628985218 /nfs/dbraw/zinc/98/52/18/628985218.db2.gz BWOLLECPMXPVNO-MGPLVRAMSA-N -1 1 316.307 3.313 20 30 DGEDMM CCCCCCCC[C@H](C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000830906404 629318895 /nfs/dbraw/zinc/31/88/95/629318895.db2.gz LCOQJTKYHYBKEG-GJZGRUSLSA-N -1 1 321.469 3.292 20 30 DGEDMM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000833407442 629599895 /nfs/dbraw/zinc/59/98/95/629599895.db2.gz NTJBKJVXYCZBOY-YVEFUNNKSA-N -1 1 312.344 3.249 20 30 DGEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000842942273 630596944 /nfs/dbraw/zinc/59/69/44/630596944.db2.gz IFUKZDRZRYXTIA-KOLCDFICSA-N -1 1 320.414 3.175 20 30 DGEDMM COc1cc(C(=O)/C=C\c2ccnn2C(C)C)cc(OC)c1[O-] ZINC000843270970 630639798 /nfs/dbraw/zinc/63/97/98/630639798.db2.gz NISUEYUHBZTVDH-WAYWQWQTSA-N -1 1 316.357 3.083 20 30 DGEDMM C=C(C)CONC(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000844631840 630744942 /nfs/dbraw/zinc/74/49/42/630744942.db2.gz UIBYPUZYBKLDMM-UHFFFAOYSA-N -1 1 310.404 3.204 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc(OC)c2OC)c1 ZINC000108232252 631828890 /nfs/dbraw/zinc/82/88/90/631828890.db2.gz NRAAGHLLAJEOAZ-CLFYSBASSA-N -1 1 314.337 3.314 20 30 DGEDMM CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000792925104 660994142 /nfs/dbraw/zinc/99/41/42/660994142.db2.gz RGKYALIYULEDGY-OQFOIZHKSA-N -1 1 313.328 3.129 20 30 DGEDMM Cn1cc(CN=Nc2ccc(C(=O)[O-])cc2)c2cc(F)ccc21 ZINC000794845242 661109070 /nfs/dbraw/zinc/10/90/70/661109070.db2.gz LEXZSGTXLUUMLL-UHFFFAOYSA-N -1 1 311.316 3.462 20 30 DGEDMM O=[N+]([O-])c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1Cl ZINC000255365359 655709139 /nfs/dbraw/zinc/70/91/39/655709139.db2.gz NUQHUJQCKIFLLD-UHFFFAOYSA-N -1 1 308.677 3.116 20 30 DGEDMM COc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c([O-])c1 ZINC000156619346 658931303 /nfs/dbraw/zinc/93/13/03/658931303.db2.gz IODQVAVFYUJVSZ-GORDUTHDSA-N -1 1 306.264 3.281 20 30 DGEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130219288 659591543 /nfs/dbraw/zinc/59/15/43/659591543.db2.gz KLVPSWCMWMOFNW-SNVBAGLBSA-N -1 1 320.707 3.342 20 30 DGEDMM N#CC[C@@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000932908517 661607973 /nfs/dbraw/zinc/60/79/73/661607973.db2.gz UYRABOKJBBBZSH-SECBINFHSA-N -1 1 307.659 3.012 20 30 DGEDMM O=C(/C=C/c1c(Cl)nc2ccccn21)c1cc(O)ccc1[O-] ZINC000156654704 661864213 /nfs/dbraw/zinc/86/42/13/661864213.db2.gz IAFJLBFTSSMRRS-FNORWQNLSA-N -1 1 314.728 3.295 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cn2cc(Cl)ccc2n1 ZINC000194925936 662175752 /nfs/dbraw/zinc/17/57/52/662175752.db2.gz JIUCELIAJNWAIP-RZNTYIFUSA-N -1 1 312.712 3.310 20 30 DGEDMM O=C(/C=C/c1ccn(-c2ccccc2)n1)c1cc(O)ccc1[O-] ZINC000090988577 662288448 /nfs/dbraw/zinc/28/84/48/662288448.db2.gz UMZUREQIBAWZEE-SOFGYWHQSA-N -1 1 306.321 3.180 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)c1 ZINC000093902074 662361403 /nfs/dbraw/zinc/36/14/03/662361403.db2.gz UUUMPSRCFSURHE-SOFGYWHQSA-N -1 1 314.385 3.328 20 30 DGEDMM C=C(Br)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000133305751 685068492 /nfs/dbraw/zinc/06/84/92/685068492.db2.gz HCUDQVQBCKWXGS-UHFFFAOYSA-N -1 1 306.159 3.184 20 30 DGEDMM Cc1cc(F)c(-c2nnn[n-]2)c(Oc2ccc(C#N)cc2C)c1 ZINC001580933046 1192047071 /nfs/dbraw/zinc/04/70/71/1192047071.db2.gz NWARXNCXHCWOBS-UHFFFAOYSA-N -1 1 309.304 3.287 20 30 DGEDMM Cc1cc(F)c(-c2nn[n-]n2)c(Oc2ccc(C#N)cc2C)c1 ZINC001580933046 1192047073 /nfs/dbraw/zinc/04/70/73/1192047073.db2.gz NWARXNCXHCWOBS-UHFFFAOYSA-N -1 1 309.304 3.287 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC001584986704 1192234404 /nfs/dbraw/zinc/23/44/04/1192234404.db2.gz QZVKXGYHQLSDDD-AWEZNQCLSA-N -1 1 304.708 3.179 20 30 DGEDMM C#CCO[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001585193208 1192248688 /nfs/dbraw/zinc/24/86/88/1192248688.db2.gz OYCODLWOSGSTQW-JTQLQIEISA-N -1 1 303.745 3.176 20 30 DGEDMM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1C#N ZINC001587744000 1192415836 /nfs/dbraw/zinc/41/58/36/1192415836.db2.gz JKMWEEOAHSLYEE-UHFFFAOYSA-N -1 1 302.717 3.178 20 30 DGEDMM C#Cc1ccc(NCc2csc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001588374632 1192446011 /nfs/dbraw/zinc/44/60/11/1192446011.db2.gz FKZOYKSDXJYKEF-UHFFFAOYSA-N -1 1 315.789 3.175 20 30 DGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCC2CCCCC2)o1 ZINC001589664823 1192470773 /nfs/dbraw/zinc/47/07/73/1192470773.db2.gz XZANCDXPHLMSEK-UHFFFAOYSA-N -1 1 317.397 3.031 20 30 DGEDMM CCCCCCCCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590592761 1192529388 /nfs/dbraw/zinc/52/93/88/1192529388.db2.gz IHVGUHZFLANBCH-UHFFFAOYSA-N -1 1 322.438 3.321 20 30 DGEDMM CCCCCCCCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590592761 1192529389 /nfs/dbraw/zinc/52/93/89/1192529389.db2.gz IHVGUHZFLANBCH-UHFFFAOYSA-N -1 1 322.438 3.321 20 30 DGEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001665221222 1176246987 /nfs/dbraw/zinc/24/69/87/1176246987.db2.gz XRMMKAMXXPIKMQ-UHFFFAOYSA-N -1 1 323.245 3.269 20 30 DGEDMM Cc1oc(C=NNc2nccc3sccc32)cc1C(=O)[O-] ZINC001600838027 1192903414 /nfs/dbraw/zinc/90/34/14/1192903414.db2.gz LLOOGDOVHPKVAD-UHFFFAOYSA-N -1 1 301.327 3.342 20 30 DGEDMM N#Cc1ccc([C@@H](NCc2ccc(C3CC3)cc2F)C(=O)[O-])cc1 ZINC001601096902 1192918824 /nfs/dbraw/zinc/91/88/24/1192918824.db2.gz PAQTWIZJLRYIKN-GOSISDBHSA-N -1 1 324.355 3.490 20 30 DGEDMM N#Cc1c(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cccc1C(=O)[O-] ZINC001601081078 1192916430 /nfs/dbraw/zinc/91/64/30/1192916430.db2.gz CSRRVQUQKXRLHA-ZIAGYGMSSA-N -1 1 324.302 3.243 20 30 DGEDMM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1CCC(C)C ZINC001344597509 1179456750 /nfs/dbraw/zinc/45/67/50/1179456750.db2.gz WBVPSBVNGABWLR-CYBMUJFWSA-N -1 1 314.364 3.262 20 30 DGEDMM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1CCC(C)C ZINC001344597510 1179456794 /nfs/dbraw/zinc/45/67/94/1179456794.db2.gz WBVPSBVNGABWLR-ZDUSSCGKSA-N -1 1 314.364 3.262 20 30 DGEDMM C=C(CC)CN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602772374 1192996659 /nfs/dbraw/zinc/99/66/59/1192996659.db2.gz VWTLMEAELMHDKR-MRXNPFEDSA-N -1 1 322.836 3.050 20 30 DGEDMM C=CC[C@@H]1CCN1Cc1cc(C(=O)[O-])ccc1Br ZINC001602855467 1192999997 /nfs/dbraw/zinc/99/99/97/1192999997.db2.gz RGINNLARMARGFX-GFCCVEGCSA-N -1 1 310.191 3.298 20 30 DGEDMM C=CC[C@@H](Sc1nc(-c2ccc(CC)cc2)n[nH]1)C(=O)[O-] ZINC001602850110 1193000190 /nfs/dbraw/zinc/00/01/90/1193000190.db2.gz TVOXNBSCFKHCPH-GFCCVEGCSA-N -1 1 303.387 3.156 20 30 DGEDMM C=CCC[C@@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccco1 ZINC001602856620 1193000648 /nfs/dbraw/zinc/00/06/48/1193000648.db2.gz DJADNCVMANJVIM-OAHLLOKOSA-N -1 1 302.374 3.422 20 30 DGEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001602921742 1193002651 /nfs/dbraw/zinc/00/26/51/1193002651.db2.gz PLVQOBKVAONHPU-UHFFFAOYSA-N -1 1 315.344 3.379 20 30 DGEDMM CC(C)(NCc1ccc(/C=C/C(=O)[O-])o1)c1cccc(C#N)c1 ZINC001603681996 1193026272 /nfs/dbraw/zinc/02/62/72/1193026272.db2.gz LCKVXJVXRINEOZ-CMDGGOBGSA-N -1 1 310.353 3.274 20 30 DGEDMM CCCCCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604175711 1193057448 /nfs/dbraw/zinc/05/74/48/1193057448.db2.gz BEEWWMNNHMFJHA-UHFFFAOYSA-N -1 1 300.819 3.359 20 30 DGEDMM CCCCCCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604175711 1193057450 /nfs/dbraw/zinc/05/74/50/1193057450.db2.gz BEEWWMNNHMFJHA-UHFFFAOYSA-N -1 1 300.819 3.359 20 30 DGEDMM N#Cc1ccccc1/C=C\C(=O)Nc1ccc([O-])c(F)c1F ZINC001449451247 1182228571 /nfs/dbraw/zinc/22/85/71/1182228571.db2.gz WNFYCKQQBZZNSE-YVMONPNESA-N -1 1 300.264 3.194 20 30 DGEDMM N#Cc1ccc(C(=O)NCC2(c3cccc(F)c3)CCC2)cc1[O-] ZINC001455537806 1182374103 /nfs/dbraw/zinc/37/41/03/1182374103.db2.gz JFAZPJWIADRAOB-UHFFFAOYSA-N -1 1 324.355 3.255 20 30 DGEDMM C=C[C@H](C(=O)NCCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001456201014 1182405028 /nfs/dbraw/zinc/40/50/28/1182405028.db2.gz ZKWVVCMVQDFVTP-AWEZNQCLSA-N -1 1 317.335 3.299 20 30 DGEDMM Cc1cccc2c1[C@@H](C)C(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001605931148 1193184594 /nfs/dbraw/zinc/18/45/94/1193184594.db2.gz SYXKRKTVSVSJIK-CAXXOGMASA-N -1 1 323.381 3.015 20 30 DGEDMM Cc1cccc2c1[C@@H](C)C(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001605931148 1193184596 /nfs/dbraw/zinc/18/45/96/1193184596.db2.gz SYXKRKTVSVSJIK-CAXXOGMASA-N -1 1 323.381 3.015 20 30 DGEDMM Cc1cc(C#N)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001606860631 1193206133 /nfs/dbraw/zinc/20/61/33/1193206133.db2.gz OIOQPKQXRRFYCR-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM N#Cc1ccc(CCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001606860434 1193206508 /nfs/dbraw/zinc/20/65/08/1193206508.db2.gz LOGGVJVXJNBCQO-UHFFFAOYSA-N -1 1 314.772 3.166 20 30 DGEDMM C=CCCSCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001469909341 1183445881 /nfs/dbraw/zinc/44/58/81/1183445881.db2.gz RTGCJMNBOXORKX-UHFFFAOYSA-N -1 1 317.410 3.290 20 30 DGEDMM C=CC[C@H]1CCCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001471433052 1183564054 /nfs/dbraw/zinc/56/40/54/1183564054.db2.gz FIGDRGHTKCETDV-LBPRGKRZSA-N -1 1 324.371 3.211 20 30 DGEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc(C(=O)[O-])[nH]1 ZINC001607483824 1193231953 /nfs/dbraw/zinc/23/19/53/1193231953.db2.gz LEGAKXWNKXNPCB-CSKARUKUSA-N -1 1 321.336 3.308 20 30 DGEDMM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001474860645 1183978570 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Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071140178 1195932288 /nfs/dbraw/zinc/93/22/88/1195932288.db2.gz RNXSYNTYNPZJFS-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM O=C([O-])c1ccc(Cl)c(/C=C\C(=O)c2ccc(O)cc2O)c1 ZINC001610830526 1193411421 /nfs/dbraw/zinc/41/14/21/1193411421.db2.gz OOADGSZHQRYAMF-KXFIGUGUSA-N -1 1 318.712 3.346 20 30 DGEDMM C#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1F ZINC001556559528 1189006772 /nfs/dbraw/zinc/00/67/72/1189006772.db2.gz JOWMWTQZIWWXGM-ZDUSSCGKSA-N -1 1 321.710 3.428 20 30 DGEDMM C#C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1F ZINC001556559527 1189006932 /nfs/dbraw/zinc/00/69/32/1189006932.db2.gz JOWMWTQZIWWXGM-CYBMUJFWSA-N -1 1 321.710 3.428 20 30 DGEDMM C#C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001556729926 1189016226 /nfs/dbraw/zinc/01/62/26/1189016226.db2.gz AOIFDAFGLVKELD-OAHLLOKOSA-N -1 1 317.747 3.218 20 30 DGEDMM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc([O-])cc1F ZINC001557064343 1189038030 /nfs/dbraw/zinc/03/80/30/1189038030.db2.gz 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/nfs/dbraw/zinc/87/30/03/400873003.db2.gz KCSDMBNLMZCAPO-LBPRGKRZSA-N -1 1 312.394 3.174 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000614299386 400873327 /nfs/dbraw/zinc/87/33/27/400873327.db2.gz NDXWSQBIZWAFQO-GOSISDBHSA-N -1 1 306.365 3.015 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000614300806 400873372 /nfs/dbraw/zinc/87/33/72/400873372.db2.gz UHIVWZDUNAYHIQ-UHFFFAOYSA-N -1 1 316.426 3.156 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000614299347 400873418 /nfs/dbraw/zinc/87/34/18/400873418.db2.gz CADQGAUJXOSDDJ-APWZRJJASA-N -1 1 320.392 3.405 20 30 DGEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)Sc1ccccc1 ZINC000614299921 400873423 /nfs/dbraw/zinc/87/34/23/400873423.db2.gz KCSDMBNLMZCAPO-GFCCVEGCSA-N -1 1 312.394 3.174 20 30 DGEDMM CC(C)(C)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F ZINC000614304829 400873439 /nfs/dbraw/zinc/87/34/39/400873439.db2.gz GPCBLLQUORXRLJ-LBPRGKRZSA-N -1 1 314.307 3.361 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2OCC2CC2)c1 ZINC000614370133 400888037 /nfs/dbraw/zinc/88/80/37/400888037.db2.gz KYZMLVAATZXSSD-UHFFFAOYSA-N -1 1 308.337 3.305 20 30 DGEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000614367149 400885947 /nfs/dbraw/zinc/88/59/47/400885947.db2.gz SRDCIKIFHOTPBM-UHFFFAOYSA-N -1 1 312.344 3.111 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2ccc(Cl)cc2)c1 ZINC000614366198 400886535 /nfs/dbraw/zinc/88/65/35/400886535.db2.gz MJBUEFZFRTYXFX-UHFFFAOYSA-N -1 1 314.772 3.280 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000619569656 400868075 /nfs/dbraw/zinc/86/80/75/400868075.db2.gz MLDUESMMWPMTRU-UHFFFAOYSA-N -1 1 323.377 3.102 20 30 DGEDMM CC(C)(C)OCc1cc(C(=O)[N-]c2sccc2C#N)no1 ZINC000274523281 401143442 /nfs/dbraw/zinc/14/34/42/401143442.db2.gz POXBUDKHEVYNDL-UHFFFAOYSA-N -1 1 305.359 3.175 20 30 DGEDMM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615478429 401091050 /nfs/dbraw/zinc/09/10/50/401091050.db2.gz ABHVCMKADQBKQS-KRWDZBQOSA-N -1 1 306.365 3.413 20 30 DGEDMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000615863190 401166768 /nfs/dbraw/zinc/16/67/68/401166768.db2.gz ACXCQNMQJFPGFY-GFCCVEGCSA-N -1 1 312.291 3.067 20 30 DGEDMM N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1 ZINC000190776980 432188816 /nfs/dbraw/zinc/18/88/16/432188816.db2.gz GZVYPKRFVDRFJZ-GFCCVEGCSA-N -1 1 319.368 3.045 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000291892454 335084779 /nfs/dbraw/zinc/08/47/79/335084779.db2.gz OZAPAMVIWHWUQU-UHFFFAOYSA-N -1 1 317.823 3.053 20 30 DGEDMM N#C[C@@H](NC(=O)c1cncc([O-])c1)c1c(Cl)cccc1Cl ZINC000339946334 229083866 /nfs/dbraw/zinc/08/38/66/229083866.db2.gz PADVRUZNGIGDPE-GFCCVEGCSA-N -1 1 322.151 3.089 20 30 DGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000355837613 229318632 /nfs/dbraw/zinc/31/86/32/229318632.db2.gz VUNPZDBODRUYHI-UHFFFAOYSA-N -1 1 322.336 3.491 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000048652407 270003294 /nfs/dbraw/zinc/00/32/94/270003294.db2.gz YMAHXKUQDYYCBG-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM C[C@@]1(CNC(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1c1ccccc1 ZINC000355013069 267116982 /nfs/dbraw/zinc/11/69/82/267116982.db2.gz IOYYNKOMJCAYJQ-APWZRJJASA-N -1 1 306.365 3.187 20 30 DGEDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000070431811 431250604 /nfs/dbraw/zinc/25/06/04/431250604.db2.gz IVNZJYCCSAHIEZ-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000112334146 431268006 /nfs/dbraw/zinc/26/80/06/431268006.db2.gz PQDXLMYYLWKAJI-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007056187 431330313 /nfs/dbraw/zinc/33/03/13/431330313.db2.gz XSDFYMCJRGULNX-UHFFFAOYSA-N -1 1 300.383 3.482 20 30 DGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000007405567 431345457 /nfs/dbraw/zinc/34/54/57/431345457.db2.gz FGDYOVUETVYTIQ-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547251 431858453 /nfs/dbraw/zinc/85/84/53/431858453.db2.gz PCCYVFQIUZSFAB-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CCc1cc(=O)[nH]c(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000176815535 432555128 /nfs/dbraw/zinc/55/51/28/432555128.db2.gz DXGOSFVKBBXTRS-ZDUSSCGKSA-N -1 1 310.401 3.199 20 30 DGEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000187422444 432663126 /nfs/dbraw/zinc/66/31/26/432663126.db2.gz MPKGCIFKJPPMKS-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188252681 432714337 /nfs/dbraw/zinc/71/43/37/432714337.db2.gz YPHJAXCSVZJRGQ-LBPRGKRZSA-N -1 1 310.353 3.106 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)cc1[O-] ZINC000188415249 432724278 /nfs/dbraw/zinc/72/42/78/432724278.db2.gz OYORTEODDUOHKY-INIZCTEOSA-N -1 1 324.405 3.194 20 30 DGEDMM Cc1cnc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000330320583 432903383 /nfs/dbraw/zinc/90/33/83/432903383.db2.gz RSCANZGEPAWTSX-GDBMZVCRSA-N -1 1 312.369 3.321 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC=C(c3ccccc3)C2)cc1[O-] ZINC000356972096 433792174 /nfs/dbraw/zinc/79/21/74/433792174.db2.gz HICPNEFXJXNCCH-UHFFFAOYSA-N -1 1 304.349 3.193 20 30 DGEDMM N#Cc1cccc(C2(NC(=O)c3cc(Cl)ccc3[O-])CC2)c1 ZINC000436603303 434030090 /nfs/dbraw/zinc/03/00/90/434030090.db2.gz LTCZERGNZRDVOZ-UHFFFAOYSA-N -1 1 312.756 3.336 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(SC)c1 ZINC000416967539 434261486 /nfs/dbraw/zinc/26/14/86/434261486.db2.gz XGVVZCQSXKWLAG-VIFPVBQESA-N -1 1 304.824 3.106 20 30 DGEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000437504864 434275040 /nfs/dbraw/zinc/27/50/40/434275040.db2.gz VUULBWQOVVLXHT-MAUKXSAKSA-N -1 1 311.381 3.256 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1[O-] ZINC000348880487 434540684 /nfs/dbraw/zinc/54/06/84/434540684.db2.gz NWIDVKFPOVKETL-KRWDZBQOSA-N -1 1 306.365 3.284 20 30 DGEDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1CC ZINC000535229794 435324444 /nfs/dbraw/zinc/32/44/44/435324444.db2.gz JRWLSESVRZAOBS-UHFFFAOYSA-N -1 1 314.410 3.484 20 30 DGEDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1CC ZINC000535232564 435324962 /nfs/dbraw/zinc/32/49/62/435324962.db2.gz DEYHBPCVIKKRMX-UHFFFAOYSA-N -1 1 314.410 3.484 20 30 DGEDMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000479490215 435335990 /nfs/dbraw/zinc/33/59/90/435335990.db2.gz ORBSUZVYNWLUBG-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])n(CCC#N)n1 ZINC000536690057 435406398 /nfs/dbraw/zinc/40/63/98/435406398.db2.gz ZDIJUGKVAGDQSZ-UHFFFAOYSA-N -1 1 320.352 3.216 20 30 DGEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000539384512 435551080 /nfs/dbraw/zinc/55/10/80/435551080.db2.gz JVNHUNWLKAGBLZ-VIFPVBQESA-N -1 1 307.337 3.127 20 30 DGEDMM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1ccc2ccccc2n1 ZINC000651584838 435762209 /nfs/dbraw/zinc/76/22/09/435762209.db2.gz PTBYQNPXKXSTQY-OAHLLOKOSA-N -1 1 316.364 3.258 20 30 DGEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc(C2CC2)cs1 ZINC000647371453 436034400 /nfs/dbraw/zinc/03/44/00/436034400.db2.gz QVZIIPKOLRFFTD-NSHDSACASA-N -1 1 312.350 3.239 20 30 DGEDMM C=C1CCN([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000659786964 436524310 /nfs/dbraw/zinc/52/43/10/436524310.db2.gz WYVZTHWRAUTZEU-ZDUSSCGKSA-N -1 1 310.191 3.227 20 30 DGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1Cl ZINC000180004643 323219896 /nfs/dbraw/zinc/21/98/96/323219896.db2.gz AACJKPSMKRXVSS-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000126663592 334860428 /nfs/dbraw/zinc/86/04/28/334860428.db2.gz RIIRNIVHKJFEEW-UHFFFAOYSA-N -1 1 312.243 3.137 20 30 DGEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000540483387 340932986 /nfs/dbraw/zinc/93/29/86/340932986.db2.gz NAAADUISEPVEOX-SECBINFHSA-N -1 1 307.337 3.127 20 30 DGEDMM Cc1sc(CNC(=O)c2ccc(C#N)c([O-])c2)nc1C(C)C ZINC000442644244 534605798 /nfs/dbraw/zinc/60/57/98/534605798.db2.gz DPGOHWXGEGJTMC-UHFFFAOYSA-N -1 1 315.398 3.082 20 30 DGEDMM CCOc1cc(C(=O)N[C@]2(C)CCO[C@@H]2C)cc(Cl)c1[O-] ZINC000330869108 528189470 /nfs/dbraw/zinc/18/94/70/528189470.db2.gz FERLZTDHDPGBAH-RFAUZJTJSA-N -1 1 313.781 3.316 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2csc(C)n2)cc1 ZINC000360186616 529271215 /nfs/dbraw/zinc/27/12/15/529271215.db2.gz AZVXDHNYDBPMNA-ZDUSSCGKSA-N -1 1 321.427 3.162 20 30 DGEDMM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1c(F)cccc1F ZINC000735615746 574709614 /nfs/dbraw/zinc/70/96/14/574709614.db2.gz XJQNUPBHCXLOMH-UHFFFAOYSA-N -1 1 305.259 3.181 20 30 DGEDMM CCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736446474 574752322 /nfs/dbraw/zinc/75/23/22/574752322.db2.gz CAJFPEXONZEAAO-UHFFFAOYSA-N -1 1 311.389 3.152 20 30 DGEDMM CC(C#N)=C([O-])N=c1sccn1Cc1cccc2ccccc21 ZINC000736669076 574802260 /nfs/dbraw/zinc/80/22/60/574802260.db2.gz UBAVQEFYPFTYDZ-CYBMUJFWSA-N -1 1 321.405 3.338 20 30 DGEDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2CC#N)c1 ZINC000744615536 575350107 /nfs/dbraw/zinc/35/01/07/575350107.db2.gz SHFCHHQYSABKFW-UHFFFAOYSA-N -1 1 323.348 3.060 20 30 DGEDMM C[C@@H](Oc1cccc(CN=Nc2ccc(F)cc2F)c1)C(=O)[O-] ZINC000746676849 575469387 /nfs/dbraw/zinc/46/93/87/575469387.db2.gz KQMCEHDUDQWWOA-SNVBAGLBSA-N -1 1 320.295 3.263 20 30 DGEDMM N#Cc1cccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748639111 575598902 /nfs/dbraw/zinc/59/89/02/575598902.db2.gz AAVPRASFHRTZGS-UHFFFAOYSA-N -1 1 312.394 3.238 20 30 DGEDMM [O-]c1c(F)cc(CN=Nc2ncnc3sccc32)cc1F ZINC000749858811 575683218 /nfs/dbraw/zinc/68/32/18/575683218.db2.gz KDJCWPBIMMTKMJ-UHFFFAOYSA-N -1 1 306.297 3.121 20 30 DGEDMM [O-]c1c(F)cc(C=NNc2ncnc3sccc32)cc1F ZINC000749858811 575683223 /nfs/dbraw/zinc/68/32/23/575683223.db2.gz KDJCWPBIMMTKMJ-UHFFFAOYSA-N -1 1 306.297 3.121 20 30 DGEDMM [O-]c1ccc(C=Nn2cnc3ccccc32)cc1Br ZINC000725848789 575929816 /nfs/dbraw/zinc/92/98/16/575929816.db2.gz IMLSXYFEIHYNGB-UHFFFAOYSA-N -1 1 316.158 3.387 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1csc([N+](=O)[O-])c1)O2 ZINC000917145622 620658760 /nfs/dbraw/zinc/65/87/60/620658760.db2.gz DDFYCPGGZWYNBN-QDEBKDIKSA-N -1 1 303.295 3.287 20 30 DGEDMM Cc1ccccc1-n1cc(/C=C\C(=O)c2ccc([O-])cc2)nn1 ZINC000806569261 617646747 /nfs/dbraw/zinc/64/67/47/617646747.db2.gz OTNXLHMIAFBTHL-FLIBITNWSA-N -1 1 305.337 3.177 20 30 DGEDMM C=CCCCN(CC)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000890813894 617684694 /nfs/dbraw/zinc/68/46/94/617684694.db2.gz PPAIFBPGNFZAGA-UHFFFAOYSA-N -1 1 305.422 3.216 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccccc2OC2CCCC2)n1 ZINC000920359391 620797318 /nfs/dbraw/zinc/79/73/18/620797318.db2.gz LIRSIQRSCKDDPW-UHFFFAOYSA-N -1 1 312.373 3.258 20 30 DGEDMM C#C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000896324478 618899485 /nfs/dbraw/zinc/89/94/85/618899485.db2.gz CDZOZEXPVSLMQW-AULYBMBSSA-N -1 1 306.793 3.037 20 30 DGEDMM Cn1nc2c(c1/C=C\C(=O)c1cc([O-])cc(F)c1)CCCC2 ZINC000899414066 619338843 /nfs/dbraw/zinc/33/88/43/619338843.db2.gz UBLIQWWCOAJVMV-SREVYHEPSA-N -1 1 300.333 3.040 20 30 DGEDMM COc1cc2c(cc1/C=C1\Oc3cc([O-])ccc3C1=O)O[C@H](C)C2 ZINC000028621521 620337959 /nfs/dbraw/zinc/33/79/59/620337959.db2.gz ZPINHGGUBQLRNQ-DMHPSONMSA-N -1 1 324.332 3.340 20 30 DGEDMM COc1ccc(C2CC2)cc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000881558805 625484324 /nfs/dbraw/zinc/48/43/24/625484324.db2.gz WXWKNPLYZSHRHS-UHFFFAOYSA-N -1 1 322.364 3.080 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])ccc1F ZINC000752874943 621413582 /nfs/dbraw/zinc/41/35/82/621413582.db2.gz NHYZLRVMWXJCGQ-ORCRQEGFSA-N -1 1 305.236 3.475 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccccc1F ZINC000756898743 621670873 /nfs/dbraw/zinc/67/08/73/621670873.db2.gz AZMVDAPAZLNCLX-UHFFFAOYSA-N -1 1 302.305 3.369 20 30 DGEDMM C#CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000756975745 621677152 /nfs/dbraw/zinc/67/71/52/621677152.db2.gz NOTSVYKAPDLVIH-HNNXBMFYSA-N -1 1 321.348 3.008 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnn(-c3ccccc3)c2)c1 ZINC000757468626 621714248 /nfs/dbraw/zinc/71/42/48/621714248.db2.gz SYHCHDVONOOSNW-CLFYSBASSA-N -1 1 320.348 3.483 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(-n3cccn3)cc2)c1 ZINC000757468710 621714336 /nfs/dbraw/zinc/71/43/36/621714336.db2.gz VAMACYKMNUQXLJ-UITAMQMPSA-N -1 1 320.348 3.483 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)c1 ZINC000757467529 621714491 /nfs/dbraw/zinc/71/44/91/621714491.db2.gz FUFVEELFLLAHTL-UXBLZVDNSA-N -1 1 316.378 3.000 20 30 DGEDMM COCc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000757471306 621714797 /nfs/dbraw/zinc/71/47/97/621714797.db2.gz ANFQKKCALCEFPN-FNORWQNLSA-N -1 1 312.321 3.133 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc(-n3cncn3)c(C)c2)c1 ZINC000757474454 621715399 /nfs/dbraw/zinc/71/53/99/621715399.db2.gz BJOZPXVGNWUKNN-YVMONPNESA-N -1 1 319.364 3.486 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(-n3cncn3)c(C)c2)c1 ZINC000757474448 621715533 /nfs/dbraw/zinc/71/55/33/621715533.db2.gz BJOZPXVGNWUKNN-VMPITWQZSA-N -1 1 319.364 3.486 20 30 DGEDMM COCCOc1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866314220 622091940 /nfs/dbraw/zinc/09/19/40/622091940.db2.gz DSFXRASPOQBIFU-ZDUSSCGKSA-N -1 1 312.369 3.462 20 30 DGEDMM CC(C)Oc1cc(O)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000762702590 622092895 /nfs/dbraw/zinc/09/28/95/622092895.db2.gz LXJDPZCLYCTVSU-UHFFFAOYSA-N -1 1 312.325 3.009 20 30 DGEDMM CC(=O)N1CCc2c1cccc2N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866339977 622097262 /nfs/dbraw/zinc/09/72/62/622097262.db2.gz GICQXPIQZJCZFS-GFCCVEGCSA-N -1 1 321.380 3.346 20 30 DGEDMM CC(=O)N1CCc2c1cccc2N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866339979 622097504 /nfs/dbraw/zinc/09/75/04/622097504.db2.gz GICQXPIQZJCZFS-LBPRGKRZSA-N -1 1 321.380 3.346 20 30 DGEDMM C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1cccc(C#N)c1[O-] ZINC000866359251 622102556 /nfs/dbraw/zinc/10/25/56/622102556.db2.gz QVKJGOWGRNEPSI-ZJUUUORDSA-N -1 1 303.312 3.349 20 30 DGEDMM CCN(C)c1ccc(C(C)=[NH+][N-]c2ccc(C(=O)[O-])cn2)cc1 ZINC000763371716 622141587 /nfs/dbraw/zinc/14/15/87/622141587.db2.gz JIWSBASHDJILGO-UHFFFAOYSA-N -1 1 312.373 3.072 20 30 DGEDMM O=C([O-])c1cccc(NN=Cc2cc(-c3ccccc3)[nH]n2)c1 ZINC000767744863 622419740 /nfs/dbraw/zinc/41/97/40/622419740.db2.gz WGAGZVDCNITDHE-UHFFFAOYSA-N -1 1 306.325 3.221 20 30 DGEDMM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000768145170 622441763 /nfs/dbraw/zinc/44/17/63/622441763.db2.gz XYKRVVJFGMKRIF-GFCCVEGCSA-N -1 1 300.736 3.486 20 30 DGEDMM COC(=O)c1ccc(N=NC(C)c2ccc([O-])c(Cl)c2)nc1 ZINC000768784155 622476887 /nfs/dbraw/zinc/47/68/87/622476887.db2.gz MFIVYHSLYNCSJF-UHFFFAOYSA-N -1 1 319.748 3.063 20 30 DGEDMM CCC[C@@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)c1ccccc1 ZINC000769583356 622542075 /nfs/dbraw/zinc/54/20/75/622542075.db2.gz ATOWNYGZUGSGOR-ZDUSSCGKSA-N -1 1 324.388 3.051 20 30 DGEDMM CCCC(=NNc1nc(=O)c2cnn(C)c2[n-]1)C1CCCCC1 ZINC000769818093 622564437 /nfs/dbraw/zinc/56/44/37/622564437.db2.gz OLQYTUNLMIOFRT-UHFFFAOYSA-N -1 1 316.409 3.217 20 30 DGEDMM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)ccc1[O-] ZINC000769828021 622566252 /nfs/dbraw/zinc/56/62/52/622566252.db2.gz BXUOYTWVFAOBHG-UHFFFAOYSA-N -1 1 307.256 3.415 20 30 DGEDMM C=CCOc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789932122 625581851 /nfs/dbraw/zinc/58/18/51/625581851.db2.gz RFJIPSGCUNKEFH-UHFFFAOYSA-N -1 1 304.733 3.258 20 30 DGEDMM Cn1nc2c(c1/C=C/C(=O)c1cccc([O-])c1F)CCCC2 ZINC000871672815 622663764 /nfs/dbraw/zinc/66/37/64/622663764.db2.gz ZPIVRWBVEXPBFQ-MDZDMXLPSA-N -1 1 300.333 3.040 20 30 DGEDMM N#Cc1cccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000771220769 622728882 /nfs/dbraw/zinc/72/88/82/622728882.db2.gz CGDXQRRCMVNYEB-UHFFFAOYSA-N -1 1 311.272 3.032 20 30 DGEDMM COc1c([O-])c(C=NNc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000773024364 622969971 /nfs/dbraw/zinc/96/99/71/622969971.db2.gz IIZPTIJNSFNSHH-UHFFFAOYSA-N -1 1 315.329 3.372 20 30 DGEDMM CCc1ccccc1NN=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000773034395 622970705 /nfs/dbraw/zinc/97/07/05/622970705.db2.gz KOYJFGZAWGCQGA-UHFFFAOYSA-N -1 1 315.329 3.317 20 30 DGEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876399973 623600490 /nfs/dbraw/zinc/60/04/90/623600490.db2.gz UXZQFLUIODAVIO-BETUJISGSA-N -1 1 306.793 3.438 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccnn2-c2ccccc2)c1 ZINC000790601212 625675941 /nfs/dbraw/zinc/67/59/41/625675941.db2.gz RGRBCDKSLHBAHT-VQHVLOKHSA-N -1 1 320.348 3.483 20 30 DGEDMM O=C(/C=C/c1ccnn1-c1ccccc1)c1cc(O)ccc1[O-] ZINC000790601018 625676502 /nfs/dbraw/zinc/67/65/02/625676502.db2.gz QNLIXERGACSLBZ-SOFGYWHQSA-N -1 1 306.321 3.180 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccnn1-c1ccccc1 ZINC000790609171 625677913 /nfs/dbraw/zinc/67/79/13/625677913.db2.gz JMHNYJIAUJSCJX-KAMYIIQDSA-N -1 1 302.333 3.400 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc(-n2cccn2)c1 ZINC000780187853 623874608 /nfs/dbraw/zinc/87/46/08/623874608.db2.gz IVMWIAAPUBRBRD-DHDCSXOGSA-N -1 1 302.333 3.400 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(SC(F)F)cc2)n1 ZINC000781573961 624095279 /nfs/dbraw/zinc/09/52/79/624095279.db2.gz LJYWJOYOYLLPPK-UHFFFAOYSA-N -1 1 310.329 3.251 20 30 DGEDMM CC(=O)Nc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000781575251 624096502 /nfs/dbraw/zinc/09/65/02/624096502.db2.gz QQVVETQUZCQLGQ-UHFFFAOYSA-N -1 1 311.341 3.179 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cc(-n2ccnc2)cs1 ZINC000783702072 624385655 /nfs/dbraw/zinc/38/56/55/624385655.db2.gz RARCTYNUSCBWAE-CHHVJCJISA-N -1 1 310.334 3.256 20 30 DGEDMM O=C1c2cc([N+](=O)[O-])ccc2OC/C1=C/c1ccc([O-])c(F)c1 ZINC000788364469 625138432 /nfs/dbraw/zinc/13/84/32/625138432.db2.gz ZGYGRDKIGIPTEQ-YHYXMXQVSA-N -1 1 315.256 3.098 20 30 DGEDMM CCCCCCCS(=O)(=O)[N-]c1nc(SC(C)C)n[nH]1 ZINC000799638197 626316166 /nfs/dbraw/zinc/31/61/66/626316166.db2.gz HIOCYNIQBCSBAL-UHFFFAOYSA-N -1 1 320.484 3.017 20 30 DGEDMM COC(=O)c1coc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])c1 ZINC000799896654 626334470 /nfs/dbraw/zinc/33/44/70/626334470.db2.gz XRVCLMBSHIGAPP-PLNGDYQASA-N -1 1 300.310 3.285 20 30 DGEDMM Cc1[nH]c(C=NNc2nc3ccccc3s2)cc1C(=O)[O-] ZINC000800804365 626375699 /nfs/dbraw/zinc/37/56/99/626375699.db2.gz YMBBHVRWOHPXAH-UHFFFAOYSA-N -1 1 300.343 3.077 20 30 DGEDMM Cc1[nH]c(C=[NH+][N-]c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000800804365 626375702 /nfs/dbraw/zinc/37/57/02/626375702.db2.gz YMBBHVRWOHPXAH-UHFFFAOYSA-N -1 1 300.343 3.077 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000809570903 626921151 /nfs/dbraw/zinc/92/11/51/626921151.db2.gz FHBADHOOAQPMOV-UHFFFAOYSA-N -1 1 307.353 3.116 20 30 DGEDMM C=C[C@](C)(CCOC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678261 627042521 /nfs/dbraw/zinc/04/25/21/627042521.db2.gz LEVKZFHICJMQJX-CQSZACIVSA-N -1 1 301.745 3.352 20 30 DGEDMM C=CCCCCOC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000811013403 627078924 /nfs/dbraw/zinc/07/89/24/627078924.db2.gz UAQBJLFZKWIIRP-UHFFFAOYSA-N -1 1 310.419 3.045 20 30 DGEDMM C#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000812351163 627374031 /nfs/dbraw/zinc/37/40/31/627374031.db2.gz HPYAUVFLCVNLCP-AWEZNQCLSA-N -1 1 303.720 3.289 20 30 DGEDMM [O-]c1cc(F)c(Cl)cc1CN=Nc1ccc(Cl)nn1 ZINC000814698096 627584712 /nfs/dbraw/zinc/58/47/12/627584712.db2.gz QHWDYWOCSWRVGO-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM CC(=NNc1nc2ccccc2[nH]1)c1csc(C(=O)[O-])c1 ZINC000814709317 627585002 /nfs/dbraw/zinc/58/50/02/627585002.db2.gz YQFLWCSLJNDQMD-UHFFFAOYSA-N -1 1 300.343 3.159 20 30 DGEDMM [O-]c1cccc(CN=Nc2c(F)c(F)nc(F)c2F)c1Cl ZINC000814743080 627587952 /nfs/dbraw/zinc/58/79/52/627587952.db2.gz RXSZMROFZKOUTQ-UHFFFAOYSA-N -1 1 319.645 3.443 20 30 DGEDMM CC(N=Nc1ncnc2sccc21)c1csc(C(=O)[O-])c1 ZINC000814767599 627589470 /nfs/dbraw/zinc/58/94/70/627589470.db2.gz MTCZFPYKFAEYNL-UHFFFAOYSA-N -1 1 318.383 3.287 20 30 DGEDMM O=C([O-])COc1ccccc1C=NNc1ccc(F)c(F)c1F ZINC000814946327 627612601 /nfs/dbraw/zinc/61/26/01/627612601.db2.gz KCLGCSPHBYVNNE-UHFFFAOYSA-N -1 1 324.258 3.013 20 30 DGEDMM Cc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822340746 628442326 /nfs/dbraw/zinc/44/23/26/628442326.db2.gz GAGXBTQYPANNQP-JXMROGBWSA-N -1 1 308.366 3.059 20 30 DGEDMM Clc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC000822579206 628466415 /nfs/dbraw/zinc/46/64/15/628466415.db2.gz XSJVDEUMEZNEMH-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM Clc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC000822579206 628466431 /nfs/dbraw/zinc/46/64/31/628466431.db2.gz XSJVDEUMEZNEMH-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM Clc1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822585775 628468138 /nfs/dbraw/zinc/46/81/38/628468138.db2.gz NFZKYHWSDZEVRD-UHFFFAOYSA-N -1 1 304.766 3.028 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(Cl)c1 ZINC000822924144 628509885 /nfs/dbraw/zinc/50/98/85/628509885.db2.gz YLQIRLNTFPTKBZ-XQRVVYSFSA-N -1 1 316.773 3.478 20 30 DGEDMM C=CC[N@H+](Cc1cccs1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823919440 628610360 /nfs/dbraw/zinc/61/03/60/628610360.db2.gz FROYXQWCALFJOK-UHFFFAOYSA-N -1 1 317.443 3.178 20 30 DGEDMM C=CC[N@@H+](Cc1cccs1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823919440 628610363 /nfs/dbraw/zinc/61/03/63/628610363.db2.gz FROYXQWCALFJOK-UHFFFAOYSA-N -1 1 317.443 3.178 20 30 DGEDMM CC(=NNc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962303 628614249 /nfs/dbraw/zinc/61/42/49/628614249.db2.gz JCTNDQQLLQZANX-UHFFFAOYSA-N -1 1 318.793 3.418 20 30 DGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC(C)(C)C2)o1 ZINC000824795652 628694517 /nfs/dbraw/zinc/69/45/17/628694517.db2.gz BGDGZHPHGUFSAI-UHFFFAOYSA-N -1 1 317.397 3.130 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC[C@H](C)C2)o1 ZINC000824927592 628707981 /nfs/dbraw/zinc/70/79/81/628707981.db2.gz PTPGMOSYPKCGCL-QWRGUYRKSA-N -1 1 317.397 3.202 20 30 DGEDMM CCCC(CC)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000825232670 628740616 /nfs/dbraw/zinc/74/06/16/628740616.db2.gz JKLBOKTWQKWHEP-UHFFFAOYSA-N -1 1 305.386 3.130 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000826266061 628836021 /nfs/dbraw/zinc/83/60/21/628836021.db2.gz ALAHARVOVHPACQ-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826266061 628836023 /nfs/dbraw/zinc/83/60/23/628836023.db2.gz ALAHARVOVHPACQ-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM C#CC[C@@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000826578583 628861195 /nfs/dbraw/zinc/86/11/95/628861195.db2.gz HRCUBAVDJABILP-OAHLLOKOSA-N -1 1 322.412 3.101 20 30 DGEDMM CC(C)Oc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827063088 628918297 /nfs/dbraw/zinc/91/82/97/628918297.db2.gz NGYKPFSIEIVWTH-GOSISDBHSA-N -1 1 324.380 3.261 20 30 DGEDMM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000829868928 629203585 /nfs/dbraw/zinc/20/35/85/629203585.db2.gz VRFNXQFHUQUXGJ-UHFFFAOYSA-N -1 1 309.362 3.037 20 30 DGEDMM N#Cc1cccc([C@@H](NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000833075240 629555261 /nfs/dbraw/zinc/55/52/61/629555261.db2.gz JGSLWLXWDFQRAQ-OAHLLOKOSA-N -1 1 300.745 3.127 20 30 DGEDMM N#Cc1ccc(CN2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])s1 ZINC000833972271 629664250 /nfs/dbraw/zinc/66/42/50/629664250.db2.gz YBJWQACMBGDYBV-LSDHHAIUSA-N -1 1 319.430 3.117 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)c1 ZINC000840716971 630351223 /nfs/dbraw/zinc/35/12/23/630351223.db2.gz PSXQMDQBUQAKNP-FNORWQNLSA-N -1 1 312.369 3.384 20 30 DGEDMM C#CC[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000844001269 630706264 /nfs/dbraw/zinc/70/62/64/630706264.db2.gz JLXKUJQCQABVQB-GFCCVEGCSA-N -1 1 321.804 3.320 20 30 DGEDMM Cc1ccc([C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)o1 ZINC000847220550 631441485 /nfs/dbraw/zinc/44/14/85/631441485.db2.gz KNEKWAYDZTYPDB-RNFRBKRXSA-N -1 1 307.165 3.208 20 30 DGEDMM CCNc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000793210971 661013335 /nfs/dbraw/zinc/01/33/35/661013335.db2.gz ZZQOWLMVLMAFIY-GFCCVEGCSA-N -1 1 300.749 3.052 20 30 DGEDMM N#CC[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000793938990 661062462 /nfs/dbraw/zinc/06/24/62/661062462.db2.gz AVFRYLOXDCIGEN-GFCCVEGCSA-N -1 1 315.760 3.467 20 30 DGEDMM Cn1c2ccccc2[nH]c1=NN=Cc1c(F)ccc([O-])c1F ZINC000794495084 661087603 /nfs/dbraw/zinc/08/76/03/661087603.db2.gz MYEDPEUGRGCTDV-UHFFFAOYSA-N -1 1 302.284 3.003 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc2n[nH]cc2c1 ZINC000794924491 661113682 /nfs/dbraw/zinc/11/36/82/661113682.db2.gz ZJGVLRFRDDTSLE-UHFFFAOYSA-N -1 1 324.340 3.106 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3cc(C)c(C)cc3o2)c(=O)o1 ZINC000255267533 655675311 /nfs/dbraw/zinc/67/53/11/655675311.db2.gz INZWXKQBGHLSJI-XDXAGZTOSA-N -1 1 324.332 3.278 20 30 DGEDMM Cn1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c(-c2cccs2)n1 ZINC000180311189 655963723 /nfs/dbraw/zinc/96/37/23/655963723.db2.gz WRLFOIQOBATPQR-AUWJEWJLSA-N -1 1 324.361 3.470 20 30 DGEDMM C[C@]1(C#N)CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897373749 658017187 /nfs/dbraw/zinc/01/71/87/658017187.db2.gz HATJFIMPQUSOJA-GOSISDBHSA-N -1 1 310.353 3.017 20 30 DGEDMM COc1ccc(OC)c(/C=C/C(=O)c2cc(O)ccc2[O-])c1 ZINC000156662182 658932481 /nfs/dbraw/zinc/93/24/81/658932481.db2.gz HBMQNTCKTQDJCG-ZZXKWVIFSA-N -1 1 300.310 3.011 20 30 DGEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000183110131 660102185 /nfs/dbraw/zinc/10/21/85/660102185.db2.gz AWFSBXYNSQVKJF-JTQLQIEISA-N -1 1 300.289 3.074 20 30 DGEDMM C[C@@H](CN1Cc2cccc(C#N)c2C1)C(=O)c1ccc([O-])cc1 ZINC000930866424 661435769 /nfs/dbraw/zinc/43/57/69/661435769.db2.gz KHQRZGLARORCIV-ZDUSSCGKSA-N -1 1 306.365 3.098 20 30 DGEDMM CCOc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1O ZINC000156658447 661864519 /nfs/dbraw/zinc/86/45/19/661864519.db2.gz QWTNXHVLDCFGEV-ZZXKWVIFSA-N -1 1 300.310 3.098 20 30 DGEDMM CC(C)N(C)c1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cn1 ZINC000191319351 662059397 /nfs/dbraw/zinc/05/93/97/662059397.db2.gz LEFVTXMHVCWTCC-QPJJXVBHSA-N -1 1 312.369 3.234 20 30 DGEDMM Cc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3)[nH]n2)o1 ZINC000194065660 662156220 /nfs/dbraw/zinc/15/62/20/662156220.db2.gz DRJOVMIJBLIKHV-UHFFFAOYSA-N -1 1 307.309 3.207 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@@H](C)[C@@H](C)C2)o1 ZINC001589773971 1192473617 /nfs/dbraw/zinc/47/36/17/1192473617.db2.gz UHYCAOWHBVRUPZ-ZJUUUORDSA-N -1 1 317.397 3.202 20 30 DGEDMM CCCCCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590594203 1192529428 /nfs/dbraw/zinc/52/94/28/1192529428.db2.gz GHRIMHDJIWQNCK-UHFFFAOYSA-N -1 1 311.393 3.192 20 30 DGEDMM CCCCCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590594203 1192529429 /nfs/dbraw/zinc/52/94/29/1192529429.db2.gz GHRIMHDJIWQNCK-UHFFFAOYSA-N -1 1 311.393 3.192 20 30 DGEDMM CCCCCCC[C@@H](C)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590593019 1192529949 /nfs/dbraw/zinc/52/99/49/1192529949.db2.gz SMNBTELAALGHBQ-GFCCVEGCSA-N -1 1 303.414 3.065 20 30 DGEDMM CCCCCCC[C@@H](C)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590593019 1192529952 /nfs/dbraw/zinc/52/99/52/1192529952.db2.gz SMNBTELAALGHBQ-GFCCVEGCSA-N -1 1 303.414 3.065 20 30 DGEDMM Cc1cc([C@@H](NCc2cccc(C#N)c2F)C(=O)[O-])ccc1F ZINC001600148933 1192795306 /nfs/dbraw/zinc/79/53/06/1192795306.db2.gz KROHDRGYQQAMHZ-MRXNPFEDSA-N -1 1 316.307 3.060 20 30 DGEDMM Cc1cc(CN(C)Cc2cc(C#N)cs2)ccc1C(=O)[O-] ZINC001600190439 1192801291 /nfs/dbraw/zinc/80/12/91/1192801291.db2.gz LJPYDNBEWJBYGD-UHFFFAOYSA-N -1 1 300.383 3.258 20 30 DGEDMM N#CC1(C(=O)[O-])CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC001601053243 1192914193 /nfs/dbraw/zinc/91/41/93/1192914193.db2.gz SCBNAWMLTYQFSY-AWEZNQCLSA-N -1 1 304.777 3.018 20 30 DGEDMM N#Cc1ccc(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])c(C(F)(F)F)c1 ZINC001601100823 1192918830 /nfs/dbraw/zinc/91/88/30/1192918830.db2.gz NMGZBHYPHBQMMS-DOMZBBRYSA-N -1 1 324.302 3.016 20 30 DGEDMM C=CCCC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602834196 1192999360 /nfs/dbraw/zinc/99/93/60/1192999360.db2.gz KGRFLTLCEXJFEU-MRXNPFEDSA-N -1 1 320.400 3.193 20 30 DGEDMM C=CCCC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602834196 1192999363 /nfs/dbraw/zinc/99/93/63/1192999363.db2.gz KGRFLTLCEXJFEU-MRXNPFEDSA-N -1 1 320.400 3.193 20 30 DGEDMM C=C(C)[C@H](NC(=O)c1ncccc1[O-])c1ccc(F)c(F)c1 ZINC001447969747 1182199487 /nfs/dbraw/zinc/19/94/87/1182199487.db2.gz IZHGUDOZDRHUGP-AWEZNQCLSA-N -1 1 304.296 3.113 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)cc1[O-] ZINC001454349449 1182339101 /nfs/dbraw/zinc/33/91/01/1182339101.db2.gz XIGRPTJOUIEWEG-OAHLLOKOSA-N -1 1 312.756 3.335 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)CCn2ccc3ccccc32)c1 ZINC001454683247 1182350946 /nfs/dbraw/zinc/35/09/46/1182350946.db2.gz KBZYJOHQLXLMTF-UHFFFAOYSA-N -1 1 305.337 3.013 20 30 DGEDMM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1c([O-])cccc1F ZINC001456028961 1182393785 /nfs/dbraw/zinc/39/37/85/1182393785.db2.gz YIPRVGPBLDMAOB-UHFFFAOYSA-N -1 1 312.344 3.154 20 30 DGEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001463390338 1183022003 /nfs/dbraw/zinc/02/20/03/1183022003.db2.gz NZVLAPDCBHMQJM-LLVKDONJSA-N -1 1 303.374 3.296 20 30 DGEDMM C#CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC001464355276 1183087347 /nfs/dbraw/zinc/08/73/47/1183087347.db2.gz KMLBMJYRZWLJIV-UHFFFAOYSA-N -1 1 318.225 3.218 20 30 DGEDMM C#C[C@@H](NC(=O)c1c([O-])cnc2c(F)cccc21)c1ccccc1 ZINC001469387125 1183405501 /nfs/dbraw/zinc/40/55/01/1183405501.db2.gz OQIALXZICNINNS-OAHLLOKOSA-N -1 1 320.323 3.184 20 30 DGEDMM C[C@@H]1CC[C@@](C)(C=CC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(C)C ZINC001469565902 1183418662 /nfs/dbraw/zinc/41/86/62/1183418662.db2.gz GHBTVLNFXSFCNF-WWLFJMTKSA-N -1 1 311.389 3.110 20 30 DGEDMM Cc1ccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)cc1C#N ZINC001471760514 1183587295 /nfs/dbraw/zinc/58/72/95/1183587295.db2.gz HGVVFYNTOZKVBS-UHFFFAOYSA-N -1 1 314.772 3.085 20 30 DGEDMM Cc1cc(C#N)cnc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001472193377 1183624981 /nfs/dbraw/zinc/62/49/81/1183624981.db2.gz XWSVKFCRPYTFGK-UHFFFAOYSA-N -1 1 305.696 3.012 20 30 DGEDMM Cc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)cc1C#N ZINC001607780668 1193256671 /nfs/dbraw/zinc/25/66/71/1193256671.db2.gz BLCKSZADCQGZLX-UHFFFAOYSA-N -1 1 306.365 3.123 20 30 DGEDMM Cn1cc(CN=Nc2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC001608106516 1193279119 /nfs/dbraw/zinc/27/91/19/1193279119.db2.gz DUUGHVMQLDQPBK-UHFFFAOYSA-N -1 1 312.156 3.476 20 30 DGEDMM N#Cc1cccc([C@H](NCc2ccc(C3CC3)cc2F)C(=O)[O-])c1 ZINC001608214425 1193283662 /nfs/dbraw/zinc/28/36/62/1193283662.db2.gz AEMYLHOEACJOHI-SFHVURJKSA-N -1 1 324.355 3.490 20 30 DGEDMM O=C([O-])c1ccc(N=NCc2cn3ccccc3n2)cc1Cl ZINC001608903880 1193312343 /nfs/dbraw/zinc/31/23/43/1193312343.db2.gz XVQJQGULIRHQMU-UHFFFAOYSA-N -1 1 314.732 3.132 20 30 DGEDMM CC(C)(C#N)CCCCOc1cccc(F)c1-c1nnn[n-]1 ZINC001609072243 1193323061 /nfs/dbraw/zinc/32/30/61/1193323061.db2.gz ISRKNCWCVQHRSV-UHFFFAOYSA-N -1 1 303.341 3.105 20 30 DGEDMM CC(C)(C#N)CCCCOc1cccc(F)c1-c1nn[n-]n1 ZINC001609072243 1193323064 /nfs/dbraw/zinc/32/30/64/1193323064.db2.gz ISRKNCWCVQHRSV-UHFFFAOYSA-N -1 1 303.341 3.105 20 30 DGEDMM CC(C)(C#N)CCCSc1cccc(F)c1-c1nn[n-]n1 ZINC001609072287 1193323749 /nfs/dbraw/zinc/32/37/49/1193323749.db2.gz KDULCMZYRKYJKU-UHFFFAOYSA-N -1 1 305.382 3.428 20 30 DGEDMM C=CCOc1ccc(CN[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001609460401 1193340367 /nfs/dbraw/zinc/34/03/67/1193340367.db2.gz TXQKNQKLDLAQIM-GFCCVEGCSA-N -1 1 301.342 3.393 20 30 DGEDMM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc(O)cc1F ZINC001609557041 1193344570 /nfs/dbraw/zinc/34/45/70/1193344570.db2.gz ZKSLOPDKUYUXGA-UHFFFAOYSA-N -1 1 306.268 3.205 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1Cl ZINC000071140175 1195932278 /nfs/dbraw/zinc/93/22/78/1195932278.db2.gz JANOARVSEFQQRL-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#Cc1ccc(C2(C(=O)Nc3cc([O-])c(F)cc3F)CC2)cc1 ZINC001556920330 1189028789 /nfs/dbraw/zinc/02/87/89/1189028789.db2.gz NBANKYSNTBBUIM-UHFFFAOYSA-N -1 1 314.291 3.212 20 30 DGEDMM COc1ncc(NC(=O)c2cc3ccccc3cc2[O-])cc1C#N ZINC001558286258 1189113897 /nfs/dbraw/zinc/11/38/97/1189113897.db2.gz YJRJAIALRJAQPP-UHFFFAOYSA-N -1 1 319.320 3.073 20 30 DGEDMM CC(=O)c1cccc(NC(=O)c2c(C)cc(C#N)cc2C)c1[O-] ZINC001558993171 1189161334 /nfs/dbraw/zinc/16/13/34/1189161334.db2.gz PCXUHUSCMSRZCN-UHFFFAOYSA-N -1 1 308.337 3.336 20 30 DGEDMM C#C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(Cl)cc1 ZINC001570082046 1190792347 /nfs/dbraw/zinc/79/23/47/1190792347.db2.gz UFHKSBABYIAOLE-AWEZNQCLSA-N -1 1 303.720 3.289 20 30 DGEDMM N#Cc1cccc(C2(C(=O)Nc3ccc([O-])c(F)c3F)CC2)c1 ZINC001624002437 1193975730 /nfs/dbraw/zinc/97/57/30/1193975730.db2.gz WQPOIWFXRLCBIG-UHFFFAOYSA-N -1 1 314.291 3.212 20 30 DGEDMM COc1ccc(NC(=O)c2cc(SC)ccc2[O-])cc1C#N ZINC001636069152 1194591227 /nfs/dbraw/zinc/59/12/27/1194591227.db2.gz KXXUPOKMNJRIFO-UHFFFAOYSA-N -1 1 314.366 3.247 20 30 DGEDMM N#CC[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001637227262 1194657881 /nfs/dbraw/zinc/65/78/81/1194657881.db2.gz UERJEMLAWACJBV-AWEZNQCLSA-N -1 1 314.772 3.359 20 30 DGEDMM N#Cc1c(F)cc(C(=O)Nc2ccc(Cl)cc2[O-])cc1F ZINC001637889355 1194691852 /nfs/dbraw/zinc/69/18/52/1194691852.db2.gz QPNWGNNRDXDSJR-UHFFFAOYSA-N -1 1 308.671 3.448 20 30 DGEDMM O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC001641532360 1194858827 /nfs/dbraw/zinc/85/88/27/1194858827.db2.gz SCPKBEZWSFIYIN-TWGQIWQCSA-N -1 1 319.719 3.406 20 30 DGEDMM CCCc1cc(=O)[n-]c(SCC#Cc2ccc(F)cc2)n1 ZINC001651606768 1195485611 /nfs/dbraw/zinc/48/56/11/1195485611.db2.gz BCXJNXIJIKHPSR-UHFFFAOYSA-N -1 1 302.374 3.418 20 30 DGEDMM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001652289519 1195575343 /nfs/dbraw/zinc/57/53/43/1195575343.db2.gz GCGASOJQULCSLC-UHFFFAOYSA-N -1 1 312.344 3.154 20 30 DGEDMM CCCCCCCC[C@H](CO)NC(=O)c1ccc(F)c([O-])c1 ZINC001653589528 1195736819 /nfs/dbraw/zinc/73/68/19/1195736819.db2.gz JEIOFZPAVYQATH-CQSZACIVSA-N -1 1 311.397 3.373 20 30 DGEDMM N#CCc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC001664366308 1196992661 /nfs/dbraw/zinc/99/26/61/1196992661.db2.gz MKVYVKYJAVENMV-UHFFFAOYSA-N -1 1 302.721 3.151 20 30 DGEDMM N#CC(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc2ccccc2n1 ZINC001594601704 956138911 /nfs/dbraw/zinc/13/89/11/956138911.db2.gz PTJPOVHDYOVOGE-IFXJQAMLSA-N -1 1 320.348 3.222 20 30 DGEDMM C#CCN(Cc1cccc(C(=O)[O-])n1)[C@@H]1CCCc2ccccc21 ZINC001573311237 962697632 /nfs/dbraw/zinc/69/76/32/962697632.db2.gz KITAACNNRJOCID-LJQANCHMSA-N -1 1 320.392 3.293 20 30 DGEDMM C=CCOc1ccc(CNc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001588872911 984443187 /nfs/dbraw/zinc/44/31/87/984443187.db2.gz 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/nfs/dbraw/zinc/58/30/96/1082583096.db2.gz MRLHLPOHWHKTPM-UHFFFAOYSA-N -1 1 306.325 3.224 20 30 DGEDMM N#Cc1ccc(NC(=O)CCCCCCCCCO)c([O-])c1 ZINC001181416471 1083461429 /nfs/dbraw/zinc/46/14/29/1083461429.db2.gz XORRXUGKCYSSBQ-UHFFFAOYSA-N -1 1 304.390 3.315 20 30 DGEDMM N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2F)c([O-])c1 ZINC001182494065 1083734189 /nfs/dbraw/zinc/73/41/89/1083734189.db2.gz XNLNUDZMWRXDLW-UHFFFAOYSA-N -1 1 320.707 3.074 20 30 DGEDMM N#Cc1ccc(NC(=O)CC(=O)c2ccccc2Cl)c([O-])c1 ZINC001185434134 1084438860 /nfs/dbraw/zinc/43/88/60/1084438860.db2.gz PUFZQKCSVDOOSY-UHFFFAOYSA-N -1 1 314.728 3.129 20 30 DGEDMM N#Cc1cc(F)c(NC(=O)c2ccc([O-])cc2F)c(Cl)c1 ZINC001186328415 1084628634 /nfs/dbraw/zinc/62/86/34/1084628634.db2.gz BEQSCYGAKJUKIL-UHFFFAOYSA-N -1 1 308.671 3.448 20 30 DGEDMM CSc1ncc(C#N)c(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205066564 1087607152 /nfs/dbraw/zinc/60/71/52/1087607152.db2.gz RXMWULPBGLSYGU-UHFFFAOYSA-N -1 1 311.288 3.462 20 30 DGEDMM 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N#Cc1cccc2c([N-]S(=O)(=O)c3ccc(O)cc3)cccc12 ZINC001195796484 1101203299 /nfs/dbraw/zinc/20/32/99/1101203299.db2.gz OJOBDULVQQRQQB-UHFFFAOYSA-N -1 1 324.361 3.218 20 30 DGEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCCCO3)c2)c1 ZINC001196296616 1101283008 /nfs/dbraw/zinc/28/30/08/1101283008.db2.gz ASFGRKIDMVVBJN-UHFFFAOYSA-N -1 1 308.337 3.098 20 30 DGEDMM N#Cc1ccc(NC(=O)c2snc(Cl)c2Cl)c([O-])c1 ZINC001196342272 1101289196 /nfs/dbraw/zinc/28/91/96/1101289196.db2.gz SEHDDKKLUHINCE-UHFFFAOYSA-N -1 1 314.153 3.279 20 30 DGEDMM [O-]/N=C/c1cc(-c2cnc3n[nH]cc3c2)cc(C(F)(F)F)c1 ZINC001241425479 1101449016 /nfs/dbraw/zinc/44/90/16/1101449016.db2.gz KOSJAKSDLBUHKJ-DENHBWNVSA-N -1 1 306.247 3.452 20 30 DGEDMM COC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2[O-])c(C#N)n1 ZINC001242141542 1101937135 /nfs/dbraw/zinc/93/71/35/1101937135.db2.gz RACGDJORYZPWKB-UHFFFAOYSA-N -1 1 322.242 3.131 20 30 DGEDMM COc1ccc(-c2nccc(-c3ccc([O-])c(C#N)c3)n2)cc1 ZINC001242563263 1102211502 /nfs/dbraw/zinc/21/15/02/1102211502.db2.gz DBQBAJYCLXSYJQ-UHFFFAOYSA-N -1 1 303.321 3.396 20 30 DGEDMM COC(=O)c1ccc(OC(F)F)c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242564023 1102211922 /nfs/dbraw/zinc/21/19/22/1102211922.db2.gz OWCLTUKBWVHRLS-UHFFFAOYSA-N -1 1 319.263 3.319 20 30 DGEDMM N#Cc1cc(-c2ccc(C(=O)NC3CCCCC3)nc2)ccc1[O-] ZINC001242565897 1102214306 /nfs/dbraw/zinc/21/43/06/1102214306.db2.gz WKYLMRNFDIFWRO-UHFFFAOYSA-N -1 1 321.380 3.388 20 30 DGEDMM N#Cc1cc(-c2ccc3nnc(-c4ccncc4)n3c2)ccc1[O-] ZINC001242566674 1102214371 /nfs/dbraw/zinc/21/43/71/1102214371.db2.gz KJZKIOOFCDVMCA-UHFFFAOYSA-N -1 1 313.320 3.036 20 30 DGEDMM CC(=O)NCc1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1F ZINC001242831512 1102371330 /nfs/dbraw/zinc/37/13/30/1102371330.db2.gz XYQSLJMGAMCYHV-AWQFTUOYSA-N -1 1 304.296 3.076 20 30 DGEDMM N#Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2cccnc12 ZINC001201230811 1102522515 /nfs/dbraw/zinc/52/25/15/1102522515.db2.gz ABHMCZHKVIOBIJ-UHFFFAOYSA-N -1 1 306.281 3.464 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1C#N ZINC001201295767 1102547373 /nfs/dbraw/zinc/54/73/73/1102547373.db2.gz ZFYFXTNRFVBDHX-UHFFFAOYSA-N -1 1 321.789 3.024 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)c(F)c2)cc1C#N ZINC001201320278 1102553849 /nfs/dbraw/zinc/55/38/49/1102553849.db2.gz VHBBYONMENVILP-UHFFFAOYSA-N -1 1 322.336 3.254 20 30 DGEDMM COCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)c(OC)c1 ZINC001244923523 1103765295 /nfs/dbraw/zinc/76/52/95/1103765295.db2.gz UMEAPDUWALNXMO-GIJQJNRQSA-N -1 1 305.305 3.292 20 30 DGEDMM N#CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC001254949660 1106158856 /nfs/dbraw/zinc/15/88/56/1106158856.db2.gz KRRLVBJEBUFVRM-UHFFFAOYSA-N -1 1 324.764 3.346 20 30 DGEDMM CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cc1 ZINC001255084862 1106175046 /nfs/dbraw/zinc/17/50/46/1106175046.db2.gz GRRYESAKEOALGR-UHFFFAOYSA-N -1 1 318.373 3.369 20 30 DGEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1F ZINC001255090495 1106176999 /nfs/dbraw/zinc/17/69/99/1106176999.db2.gz ZCAGKROZLOMGKI-UHFFFAOYSA-N -1 1 303.358 3.170 20 30 DGEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255636173 1106281459 /nfs/dbraw/zinc/28/14/59/1106281459.db2.gz YJSIRJFMYAMPSL-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C#N ZINC001256790886 1106483981 /nfs/dbraw/zinc/48/39/81/1106483981.db2.gz ZRLFFQOKEPSWCW-UHFFFAOYSA-N -1 1 322.773 3.021 20 30 DGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1Cl ZINC001259417198 1107132822 /nfs/dbraw/zinc/13/28/22/1107132822.db2.gz LBPCXOSSKFWQRH-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c1 ZINC001259444719 1107137503 /nfs/dbraw/zinc/13/75/03/1107137503.db2.gz GFWHGGDROAKCIS-UHFFFAOYSA-N -1 1 323.320 3.070 20 30 DGEDMM C=CCS(=O)(=O)Nc1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001259931926 1107227264 /nfs/dbraw/zinc/22/72/64/1107227264.db2.gz JMNNSBQTEFQXKO-UHFFFAOYSA-N -1 1 316.593 3.280 20 30 DGEDMM CC(C)(S)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001260472732 1107275702 /nfs/dbraw/zinc/27/57/02/1107275702.db2.gz BSGAMZRQBXDQES-UHFFFAOYSA-N -1 1 320.288 3.042 20 30 DGEDMM C#C[C@@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)C(C)(C)C ZINC001306854105 1111244548 /nfs/dbraw/zinc/24/45/48/1111244548.db2.gz VUCRHBTUCVIYEK-CQSZACIVSA-N -1 1 316.788 3.372 20 30 DGEDMM COc1ccc(C(=O)N(O)Cc2ccccc2Cl)c([O-])c1 ZINC001306893891 1111247816 /nfs/dbraw/zinc/24/78/16/1111247816.db2.gz BFMGBIAQJIPCOM-UHFFFAOYSA-N -1 1 307.733 3.086 20 30 DGEDMM O=C(COCCc1ccccc1)N([O-])Cc1ccccc1Cl ZINC001306894691 1111248276 /nfs/dbraw/zinc/24/82/76/1111248276.db2.gz OUDOWWFYFYLLGN-UHFFFAOYSA-N -1 1 319.788 3.317 20 30 DGEDMM C=CCC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCCC1 ZINC001309493106 1111527197 /nfs/dbraw/zinc/52/71/97/1111527197.db2.gz CDJLHLPQUUIWRR-UHFFFAOYSA-N -1 1 315.385 3.380 20 30 DGEDMM CCc1ccc(C(C)(C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443306204 529616913 /nfs/dbraw/zinc/61/69/13/529616913.db2.gz XFLLZCLNFQAGJJ-UHFFFAOYSA-N -1 1 308.381 3.491 20 30 DGEDMM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442907133 529974305 /nfs/dbraw/zinc/97/43/05/529974305.db2.gz YRMHBYOBLFQYEL-UHFFFAOYSA-N -1 1 318.735 3.329 20 30 DGEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cnns1 ZINC000066800775 432022143 /nfs/dbraw/zinc/02/21/43/432022143.db2.gz NRFUFFHXVKDQTI-SECBINFHSA-N -1 1 304.400 3.185 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[O-] ZINC000188251231 200216726 /nfs/dbraw/zinc/21/67/26/200216726.db2.gz NTGZPHKZOYXCOF-VXGBXAGGSA-N -1 1 312.291 3.115 20 30 DGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000050212731 283587727 /nfs/dbraw/zinc/58/77/27/283587727.db2.gz GBSVRQFDUSYOOL-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000435778987 238351091 /nfs/dbraw/zinc/35/10/91/238351091.db2.gz UVHLGQPEYJTQED-ZDUSSCGKSA-N -1 1 304.309 3.135 20 30 DGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000189870836 432098010 /nfs/dbraw/zinc/09/80/10/432098010.db2.gz ZCPOCGLIXUDNAV-SECBINFHSA-N -1 1 302.280 3.033 20 30 DGEDMM Cc1ccccc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000442974818 239158113 /nfs/dbraw/zinc/15/81/13/239158113.db2.gz INLODVBFWRFKIR-SFHVURJKSA-N -1 1 306.365 3.453 20 30 DGEDMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000442978018 239158921 /nfs/dbraw/zinc/15/89/21/239158921.db2.gz WMUAMNVMVBNJOG-GOSISDBHSA-N -1 1 320.392 3.420 20 30 DGEDMM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000189990630 432109842 /nfs/dbraw/zinc/10/98/42/432109842.db2.gz SIKXZGMKJBDHEF-KRWDZBQOSA-N -1 1 322.364 3.250 20 30 DGEDMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1C#N ZINC000137213763 284516725 /nfs/dbraw/zinc/51/67/25/284516725.db2.gz LDKKQQQCYWYELW-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000091990198 400146327 /nfs/dbraw/zinc/14/63/27/400146327.db2.gz SYRMWWABCHRCOY-DLBZAZTESA-N -1 1 324.355 3.443 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2cccc(Cl)c2)c1 ZINC000616694488 400206631 /nfs/dbraw/zinc/20/66/31/400206631.db2.gz RYCKIICLNGSHIW-UHFFFAOYSA-N -1 1 314.772 3.280 20 30 DGEDMM CC(C)(C)c1cnc(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000589186667 400270618 /nfs/dbraw/zinc/27/06/18/400270618.db2.gz KVQGRUGPCXSWSD-UHFFFAOYSA-N -1 1 301.371 3.270 20 30 DGEDMM CCC1(CC)CN(C(=O)c2cc([O-])cc(C#N)c2)CCS1 ZINC000589207240 400276668 /nfs/dbraw/zinc/27/66/68/400276668.db2.gz GDUZNHSOQMLREA-UHFFFAOYSA-N -1 1 304.415 3.012 20 30 DGEDMM CCc1c(-c2cccc(C(F)(F)F)c2)[n-]n(C[C@H](C)C#N)c1=O ZINC000601931467 400379387 /nfs/dbraw/zinc/37/93/87/400379387.db2.gz FKGVUJRBQFSKOU-MFKMUULPSA-N -1 1 323.318 3.438 20 30 DGEDMM CCc1c(-c2ccc(F)cc2Cl)[n-]n(C[C@H](C)C#N)c1=O ZINC000601934550 400379871 /nfs/dbraw/zinc/37/98/71/400379871.db2.gz ZCDWZIRYFRVLLS-MWLCHTKSSA-N -1 1 307.756 3.211 20 30 DGEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000040363900 400400160 /nfs/dbraw/zinc/40/01/60/400400160.db2.gz WWGVKSFJYDCMIP-LURJTMIESA-N -1 1 313.231 3.025 20 30 DGEDMM O=C(CCC(=O)c1ccccc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571849 400528866 /nfs/dbraw/zinc/52/88/66/400528866.db2.gz ALGWMSGBXIEBPY-UHFFFAOYSA-N -1 1 312.251 3.075 20 30 DGEDMM CC1(C)CCCN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]1C#N ZINC000597568961 400647003 /nfs/dbraw/zinc/64/70/03/400647003.db2.gz SBGIPGGHXHJZEL-CQSZACIVSA-N -1 1 309.369 3.095 20 30 DGEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(OC)cc1 ZINC000614292938 400871320 /nfs/dbraw/zinc/87/13/20/400871320.db2.gz JCZRQCWLOUMMFV-KRWDZBQOSA-N -1 1 310.353 3.154 20 30 DGEDMM CCCCOc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296560 400872341 /nfs/dbraw/zinc/87/23/41/400872341.db2.gz HXPNYXCTLPLACP-UHFFFAOYSA-N -1 1 324.380 3.373 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC000614295617 400872373 /nfs/dbraw/zinc/87/23/73/400872373.db2.gz UCXITUOGHXSBDF-OAHLLOKOSA-N -1 1 306.365 3.114 20 30 DGEDMM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000181463645 400888545 /nfs/dbraw/zinc/88/85/45/400888545.db2.gz DCMPHTHNECWBRI-GFCCVEGCSA-N -1 1 321.384 3.313 20 30 DGEDMM CSc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461568 400851697 /nfs/dbraw/zinc/85/16/97/400851697.db2.gz WZJSIXALRQVNAX-UHFFFAOYSA-N -1 1 318.423 3.275 20 30 DGEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461143 400852059 /nfs/dbraw/zinc/85/20/59/400852059.db2.gz GZBWOAABJBMOKB-UHFFFAOYSA-N -1 1 314.410 3.424 20 30 DGEDMM Cc1cccnc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000614370035 400887212 /nfs/dbraw/zinc/88/72/12/400887212.db2.gz XXKXTZJFEUQWAY-INIZCTEOSA-N -1 1 309.369 3.094 20 30 DGEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1cccs1 ZINC000614369196 400887422 /nfs/dbraw/zinc/88/74/22/400887422.db2.gz GZOFIFMWLWGMFD-UHFFFAOYSA-N -1 1 300.383 3.033 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000615144606 401014764 /nfs/dbraw/zinc/01/47/64/401014764.db2.gz HDLZACYFIFSJOW-CRAIPNDOSA-N -1 1 320.392 3.405 20 30 DGEDMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615431912 401078345 /nfs/dbraw/zinc/07/83/45/401078345.db2.gz AVAUCMCFKBYAHO-CABZTGNLSA-N -1 1 312.291 3.067 20 30 DGEDMM C=CCCCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC000625425898 401124676 /nfs/dbraw/zinc/12/46/76/401124676.db2.gz RFZBJCLUEAGINQ-CQSZACIVSA-N -1 1 317.401 3.139 20 30 DGEDMM N#Cc1ccc(C(=O)N2Cc3ccccc3C(F)(F)C2)cc1[O-] ZINC000615482710 401090828 /nfs/dbraw/zinc/09/08/28/401090828.db2.gz ZARQMNAVSROSCV-UHFFFAOYSA-N -1 1 314.291 3.012 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(SC)ccc1Cl ZINC000594697193 401154174 /nfs/dbraw/zinc/15/41/74/401154174.db2.gz AIEUTSSTXXHMPD-VIFPVBQESA-N -1 1 304.824 3.106 20 30 DGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1Cl ZINC000189859794 165180538 /nfs/dbraw/zinc/18/05/38/165180538.db2.gz AJENWUCVLIQIHE-JTQLQIEISA-N -1 1 300.745 3.408 20 30 DGEDMM N#Cc1csc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000182127381 432160454 /nfs/dbraw/zinc/16/04/54/432160454.db2.gz BUBVLFXJTRQACM-UHFFFAOYSA-N -1 1 318.408 3.452 20 30 DGEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000190518730 432165832 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/nfs/dbraw/zinc/71/43/11/621714311.db2.gz MLWCAZKAWTZZQJ-POHAHGRESA-N -1 1 300.285 3.199 20 30 DGEDMM CCOc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757471308 621714718 /nfs/dbraw/zinc/71/47/18/621714718.db2.gz APHMCVNQDSBSEF-UITAMQMPSA-N -1 1 312.321 3.385 20 30 DGEDMM CCSc1ccccc1C(C)=NNc1nc(C)cc(=O)[n-]1 ZINC000759646659 621878911 /nfs/dbraw/zinc/87/89/11/621878911.db2.gz OEGHQXZTQXUAFK-UHFFFAOYSA-N -1 1 302.403 3.439 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc2c(s1)CCCC2 ZINC000764642428 622209481 /nfs/dbraw/zinc/20/94/81/622209481.db2.gz WVXRCHWHWGASLC-UHFFFAOYSA-N -1 1 302.403 3.267 20 30 DGEDMM Cc1ccnc(NCc2cccc(Br)c2[O-])c1C#N ZINC000764935547 622233932 /nfs/dbraw/zinc/23/39/32/622233932.db2.gz WGIBIAQECCWGOI-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM C=CCCCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161550 622437458 /nfs/dbraw/zinc/43/74/58/622437458.db2.gz NTRJQOCWAMZZTI-UHFFFAOYSA-N -1 1 322.836 3.046 20 30 DGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000768411889 622454962 /nfs/dbraw/zinc/45/49/62/622454962.db2.gz TYAYZRKANOHJTI-SNVBAGLBSA-N -1 1 300.289 3.074 20 30 DGEDMM CCN(CC)[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC000870693216 622497210 /nfs/dbraw/zinc/49/72/10/622497210.db2.gz YWLUBXFYBLRTQN-GOSISDBHSA-N -1 1 323.396 3.051 20 30 DGEDMM CCCCCC1=CCCC1=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819750 622564495 /nfs/dbraw/zinc/56/44/95/622564495.db2.gz WWASNMRDGRJLSV-UHFFFAOYSA-N -1 1 314.393 3.137 20 30 DGEDMM CON=Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000771221943 622728893 /nfs/dbraw/zinc/72/88/93/622728893.db2.gz LOGXKKMCZMUXBK-UHFFFAOYSA-N -1 1 313.288 3.229 20 30 DGEDMM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000872545378 622931567 /nfs/dbraw/zinc/93/15/67/622931567.db2.gz FEDMFYJUAPDJPD-UHFFFAOYSA-N -1 1 307.362 3.488 20 30 DGEDMM O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000772800423 622941536 /nfs/dbraw/zinc/94/15/36/622941536.db2.gz GJWGPWQYQKGIFM-DAFODLJHSA-N -1 1 321.235 3.180 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)o2)cc1 ZINC000774049800 623101960 /nfs/dbraw/zinc/10/19/60/623101960.db2.gz BSRKOMHXCMGMJS-CQSZACIVSA-N -1 1 324.336 3.006 20 30 DGEDMM O=[N+]([O-])c1ccc([O-])c(C=Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000775234425 623243404 /nfs/dbraw/zinc/24/34/04/623243404.db2.gz RJZNRLKHOPYCNK-UHFFFAOYSA-N -1 1 300.249 3.066 20 30 DGEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778036579 623603996 /nfs/dbraw/zinc/60/39/96/623603996.db2.gz LDZSCBBMOKCPRB-SECBINFHSA-N -1 1 323.245 3.412 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cc(-n2ccnc2)cs1 ZINC000780186289 623873853 /nfs/dbraw/zinc/87/38/53/623873853.db2.gz GOAABAPZAFOJLB-GHXNOFRVSA-N -1 1 308.362 3.462 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2c(Br)cnn2C)c1 ZINC000782348482 624242666 /nfs/dbraw/zinc/24/26/66/624242666.db2.gz RUJNHRBNQKJAAV-XQRVVYSFSA-N -1 1 321.174 3.093 20 30 DGEDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCC[C@@H]2C#N)c1[O-] ZINC000879307827 624492366 /nfs/dbraw/zinc/49/23/66/624492366.db2.gz DWNCHVPQUXSSQC-ABAIWWIYSA-N -1 1 306.793 3.372 20 30 DGEDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCC[C@H]2C#N)c1[O-] ZINC000879307829 624492847 /nfs/dbraw/zinc/49/28/47/624492847.db2.gz DWNCHVPQUXSSQC-NHYWBVRUSA-N -1 1 306.793 3.372 20 30 DGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(C)C ZINC000798473017 626219529 /nfs/dbraw/zinc/21/95/29/626219529.db2.gz YJWVNIWIYCSHKP-LLVKDONJSA-N -1 1 324.204 3.069 20 30 DGEDMM C=C[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)(C)C ZINC000798903569 626256158 /nfs/dbraw/zinc/25/61/58/626256158.db2.gz YQUZMXUYWYRETP-GFCCVEGCSA-N -1 1 324.446 3.289 20 30 DGEDMM CC(=NNCC(C)(C)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000799116462 626273607 /nfs/dbraw/zinc/27/36/07/626273607.db2.gz HWWDVHIVJWKZKK-UHFFFAOYSA-N -1 1 305.205 3.031 20 30 DGEDMM CC[C@H](C#N)OC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000801411200 626403523 /nfs/dbraw/zinc/40/35/23/626403523.db2.gz QWVVPLFSNMDSQT-CQSZACIVSA-N -1 1 313.357 3.160 20 30 DGEDMM CC[C@@H](C#N)OC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000801412690 626403564 /nfs/dbraw/zinc/40/35/64/626403564.db2.gz QKLSVBRTTXFDDV-AWEZNQCLSA-N -1 1 313.357 3.160 20 30 DGEDMM Cc1c(=O)[n-]c(SCCO[C@H](C)C#N)nc1-c1ccccc1 ZINC000801658748 626413817 /nfs/dbraw/zinc/41/38/17/626413817.db2.gz ILQQFQPDMGHFJK-LLVKDONJSA-N -1 1 315.398 3.178 20 30 DGEDMM O=C([O-])c1cccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c1 ZINC000806558433 626720827 /nfs/dbraw/zinc/72/08/27/626720827.db2.gz CGNQQYZFTLYMPX-PLNGDYQASA-N -1 1 304.248 3.265 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2c(F)cccc2F)c(O)c1 ZINC000806558799 626721007 /nfs/dbraw/zinc/72/10/07/626721007.db2.gz MFVIVWKUXUDPAC-VOTSOKGWSA-N -1 1 304.248 3.265 20 30 DGEDMM CCOc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806559287 626721163 /nfs/dbraw/zinc/72/11/63/626721163.db2.gz YRFVHYCMOOZRLT-CSKARUKUSA-N -1 1 312.321 3.385 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000806576151 626723901 /nfs/dbraw/zinc/72/39/01/626723901.db2.gz VUBOBBAQJNNUME-XQRVVYSFSA-N -1 1 309.300 3.008 20 30 DGEDMM C[C@H](Cc1ccccc1Cl)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809610345 626925885 /nfs/dbraw/zinc/92/58/85/626925885.db2.gz QQXGBIQIPQKKNC-LLVKDONJSA-N -1 1 314.772 3.278 20 30 DGEDMM N#CC1(CC(=O)NCCc2c(F)cc([O-])cc2F)CCCCC1 ZINC000886269983 627128318 /nfs/dbraw/zinc/12/83/18/627128318.db2.gz NOLXCSIEIBPCOX-UHFFFAOYSA-N -1 1 322.355 3.193 20 30 DGEDMM C[C@H](COc1ccccc1)NN=Cc1ccc([O-])c(Cl)c1 ZINC000811668659 627304354 /nfs/dbraw/zinc/30/43/54/627304354.db2.gz RFEVAWDMKPKQNZ-GFCCVEGCSA-N -1 1 304.777 3.437 20 30 DGEDMM CC(C)C1N=NC(=S)N1N=Cc1cc(Cl)c(F)cc1[O-] ZINC000814737556 627588029 /nfs/dbraw/zinc/58/80/29/627588029.db2.gz CSZYDUWXMJMJKA-UHFFFAOYSA-N -1 1 314.773 3.071 20 30 DGEDMM CC(C)[C@@H]1CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000814846386 627597810 /nfs/dbraw/zinc/59/78/10/627597810.db2.gz DXQFDONDKPEPPU-JTQLQIEISA-N -1 1 316.409 3.121 20 30 DGEDMM CC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)[C@@H]1CC1(C)C ZINC000814847088 627597853 /nfs/dbraw/zinc/59/78/53/627597853.db2.gz ZNTJDKPSNZQKHH-NSHDSACASA-N -1 1 316.409 3.121 20 30 DGEDMM CC(C)C1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000814846986 627597941 /nfs/dbraw/zinc/59/79/41/627597941.db2.gz VZSBBCXSLXBAMS-UHFFFAOYSA-N -1 1 316.409 3.121 20 30 DGEDMM COc1ccc2nc(N=NCc3c[nH]c(C(=O)[O-])c3)c(C)cc2c1 ZINC000814899467 627604752 /nfs/dbraw/zinc/60/47/52/627604752.db2.gz XVQFSPHTNJLIID-UHFFFAOYSA-N -1 1 324.340 3.024 20 30 DGEDMM CC(C)c1c(Cl)ncnc1NN=Cc1cccc(C(=O)[O-])c1 ZINC000814921823 627608360 /nfs/dbraw/zinc/60/83/60/627608360.db2.gz DVHUGFJCYHOKQR-UHFFFAOYSA-N -1 1 318.764 3.398 20 30 DGEDMM CCCCCCCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000816524804 627802280 /nfs/dbraw/zinc/80/22/80/627802280.db2.gz RVARZUMOWQQUCV-UHFFFAOYSA-N -1 1 309.410 3.232 20 30 DGEDMM CC[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cccc(C#N)c1[O-] ZINC000926092122 627841042 /nfs/dbraw/zinc/84/10/42/627841042.db2.gz XTNVGKDPYVPLBL-QGZVFWFLSA-N -1 1 321.380 3.113 20 30 DGEDMM C(=NNc1cccc2c1CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000819718214 628183186 /nfs/dbraw/zinc/18/31/86/628183186.db2.gz AYYFJQGFSOIVIY-UHFFFAOYSA-N -1 1 324.413 3.253 20 30 DGEDMM CCC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(Br)cc1 ZINC000820935143 628316256 /nfs/dbraw/zinc/31/62/56/628316256.db2.gz NEYDPZWYBDMOLJ-SNVBAGLBSA-N -1 1 317.133 3.175 20 30 DGEDMM CCCCCCCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821048651 628331698 /nfs/dbraw/zinc/33/16/98/628331698.db2.gz FCMNNAHTYRGWNC-UHFFFAOYSA-N -1 1 308.411 3.012 20 30 DGEDMM CCCCCCCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821048651 628331702 /nfs/dbraw/zinc/33/17/02/628331702.db2.gz FCMNNAHTYRGWNC-UHFFFAOYSA-N -1 1 308.411 3.012 20 30 DGEDMM Cc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822378539 628445617 /nfs/dbraw/zinc/44/56/17/628445617.db2.gz BFNUNXILHZIYJT-RQOWECAXSA-N -1 1 302.384 3.194 20 30 DGEDMM Clc1ccc(Cl)c(NN=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822573908 628466253 /nfs/dbraw/zinc/46/62/53/628466253.db2.gz KTYPSRMEQIJYON-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM Clc1ccc(Cl)c(NN=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822573908 628466254 /nfs/dbraw/zinc/46/62/54/628466254.db2.gz KTYPSRMEQIJYON-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM C#CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823838886 628600926 /nfs/dbraw/zinc/60/09/26/628600926.db2.gz WJKGYUNCHGRYOU-CYBMUJFWSA-N -1 1 324.775 3.092 20 30 DGEDMM C#CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823838886 628600929 /nfs/dbraw/zinc/60/09/29/628600929.db2.gz WJKGYUNCHGRYOU-CYBMUJFWSA-N -1 1 324.775 3.092 20 30 DGEDMM CC(CC1CCCC1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824391407 628657070 /nfs/dbraw/zinc/65/70/70/628657070.db2.gz IMRQTXHMRJBEBT-UHFFFAOYSA-N -1 1 317.397 3.346 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@H](C)C[C@@H]2C)o1 ZINC000824899412 628704018 /nfs/dbraw/zinc/70/40/18/628704018.db2.gz JMDSXDKODFHAOA-UWVGGRQHSA-N -1 1 317.397 3.202 20 30 DGEDMM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825704985 628787910 /nfs/dbraw/zinc/78/79/10/628787910.db2.gz SRCCYAIHRFZNAP-BQYQJAHWSA-N -1 1 310.382 3.387 20 30 DGEDMM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825704985 628787913 /nfs/dbraw/zinc/78/79/13/628787913.db2.gz SRCCYAIHRFZNAP-BQYQJAHWSA-N -1 1 310.382 3.387 20 30 DGEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000827718315 628985398 /nfs/dbraw/zinc/98/53/98/628985398.db2.gz QKTMGXSTTSAMRJ-QFYYESIMSA-N -1 1 316.307 3.313 20 30 DGEDMM O=C([O-])CCC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000833224428 629572205 /nfs/dbraw/zinc/57/22/05/629572205.db2.gz IOQVVYSVWAWDNB-UHFFFAOYSA-N -1 1 305.805 3.268 20 30 DGEDMM C=CCN(CCc1ccco1)Cc1ccc(C(=O)[O-])cc1F ZINC000833374570 629594566 /nfs/dbraw/zinc/59/45/66/629594566.db2.gz RCDSKKQCIOAFMO-UHFFFAOYSA-N -1 1 303.333 3.348 20 30 DGEDMM C=CCSCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833377902 629594675 /nfs/dbraw/zinc/59/46/75/629594675.db2.gz DNJCLKQELXMLBD-GFCCVEGCSA-N -1 1 303.786 3.114 20 30 DGEDMM CC(N=Nc1ccc(C(=O)[O-])nc1)c1cc2c(s1)CCC2 ZINC000835006631 629820915 /nfs/dbraw/zinc/82/09/15/629820915.db2.gz HJNVFKDAKAYLJI-UHFFFAOYSA-N -1 1 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DGEDMM CCCCCCCCCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001155134122 1088967810 /nfs/dbraw/zinc/96/78/10/1088967810.db2.gz BMYQIZHTLDUMJU-HNNXBMFYSA-N -1 1 321.469 3.122 20 30 DGEDMM COc1ccc(C(=O)Nc2ccc(C#N)cc2[O-])c2cccnc12 ZINC001155488321 1089134462 /nfs/dbraw/zinc/13/44/62/1089134462.db2.gz SCQIHXKABQFHHG-UHFFFAOYSA-N -1 1 319.320 3.073 20 30 DGEDMM COc1cccc(NC(=O)c2cnc3cccc([O-])c3c2)c1C#N ZINC001155540389 1089151273 /nfs/dbraw/zinc/15/12/73/1089151273.db2.gz OIEYPKBVYAMJPZ-UHFFFAOYSA-N -1 1 319.320 3.073 20 30 DGEDMM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC001161318891 1089189047 /nfs/dbraw/zinc/18/90/47/1089189047.db2.gz ZTVUTYOJEPECGJ-LBPRGKRZSA-N -1 1 312.344 3.106 20 30 DGEDMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC001161318890 1089189352 /nfs/dbraw/zinc/18/93/52/1089189352.db2.gz ZTVUTYOJEPECGJ-GFCCVEGCSA-N -1 1 312.344 3.106 20 30 DGEDMM Cc1ccc2ccc(C(=O)N[C@](C)(C#N)CC(C)C)c([O-])c2n1 ZINC001155660900 1089204388 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FFXCQBFFKXVVAU-UTCJRWHESA-N -1 1 302.301 3.445 20 30 DGEDMM O=C(/C=C/C=C\c1ccccc1[N+](=O)[O-])c1cc(O)ccc1[O-] ZINC000757468831 621714508 /nfs/dbraw/zinc/71/45/08/621714508.db2.gz YKTUFFWPLKWPHN-VKDZAETISA-N -1 1 311.293 3.458 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cc(F)ccc2F)c1 ZINC000757473766 621715371 /nfs/dbraw/zinc/71/53/71/621715371.db2.gz OOFOTOVIMHSVTE-ORCRQEGFSA-N -1 1 304.248 3.265 20 30 DGEDMM CCOc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000757473845 621715586 /nfs/dbraw/zinc/71/55/86/621715586.db2.gz QJSVQEUWRJSBMU-SOFGYWHQSA-N -1 1 312.321 3.385 20 30 DGEDMM CCOC(=O)c1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])o1 ZINC000757477070 621715939 /nfs/dbraw/zinc/71/59/39/621715939.db2.gz YVIKUEQRUJGDTH-VMPITWQZSA-N -1 1 300.310 3.366 20 30 DGEDMM Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cnc1Cl ZINC000760266733 621925998 /nfs/dbraw/zinc/92/59/98/621925998.db2.gz ZKIZBRHPFTYCSH-DUXPYHPUSA-N -1 1 317.728 3.343 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc3c(c2)ncn3C)c1 ZINC000761205411 621994325 /nfs/dbraw/zinc/99/43/25/621994325.db2.gz NDPCJVBQFOGWMK-DAXSKMNVSA-N -1 1 308.337 3.184 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2c(Cl)oc3ccccc23)n1 ZINC000761250356 621996989 /nfs/dbraw/zinc/99/69/89/621996989.db2.gz PIISUPUZGCMLKV-UHFFFAOYSA-N -1 1 302.721 3.336 20 30 DGEDMM Cn1cc(NN=Cc2cc(Cl)c3ccccc3c2[O-])cn1 ZINC000761866515 622035572 /nfs/dbraw/zinc/03/55/72/622035572.db2.gz RMIOQEWAMHVBDN-UHFFFAOYSA-N -1 1 300.749 3.378 20 30 DGEDMM Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866329142 622094888 /nfs/dbraw/zinc/09/48/88/622094888.db2.gz ZIIWQKFWEVAGFT-ZDUSSCGKSA-N -1 1 323.396 3.447 20 30 DGEDMM C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cccc(C#N)c1[O-] ZINC000866359249 622102377 /nfs/dbraw/zinc/10/23/77/622102377.db2.gz QVKJGOWGRNEPSI-UWVGGRQHSA-N -1 1 303.312 3.349 20 30 DGEDMM Cc1ccc(NCc2cccc(Br)c2[O-])nc1C#N ZINC000764935285 622233762 /nfs/dbraw/zinc/23/37/62/622233762.db2.gz QUSNHPXYVMUMDA-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc(C3CCCC3)s2)n1 ZINC000767743709 622419745 /nfs/dbraw/zinc/41/97/45/622419745.db2.gz KXVZRMNBFQECFY-UHFFFAOYSA-N -1 1 303.391 3.051 20 30 DGEDMM [O-]c1c(F)cc(Cl)cc1CN=Nc1cncc(Cl)n1 ZINC000768361637 622452008 /nfs/dbraw/zinc/45/20/08/622452008.db2.gz TTZJKBRCKFUUSP-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM CC(C)(C)OC1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000870492427 622475243 /nfs/dbraw/zinc/47/52/43/622475243.db2.gz OSAVLEUYDKSMIQ-UHFFFAOYSA-N -1 1 316.401 3.120 20 30 DGEDMM CC(C)(C#N)CCCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768777891 622476425 /nfs/dbraw/zinc/47/64/25/622476425.db2.gz JTAKJPVCEZJAMT-UHFFFAOYSA-N -1 1 306.318 3.177 20 30 DGEDMM CC(=NNC(=S)Nc1ccccn1)c1ccc([O-])c(Cl)c1 ZINC000768783763 622476762 /nfs/dbraw/zinc/47/67/62/622476762.db2.gz GAALYEOQFISHSI-UHFFFAOYSA-N -1 1 320.805 3.151 20 30 DGEDMM CC(=Nn1cc(Br)cn1)c1ccc([O-])c(Cl)c1 ZINC000768784167 622476963 /nfs/dbraw/zinc/47/69/63/622476963.db2.gz MONMELRRLAOPSH-UHFFFAOYSA-N -1 1 314.570 3.277 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)C[C@]23CCCC[C@H]2C3(F)F)c1 ZINC000870689895 622496667 /nfs/dbraw/zinc/49/66/67/622496667.db2.gz CQSMSKJRIMNFQU-UKRRQHHQSA-N -1 1 306.312 3.184 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000870693118 622497240 /nfs/dbraw/zinc/49/72/40/622497240.db2.gz YHPNCFUDXHXFQF-NWDGAFQWSA-N -1 1 312.291 3.337 20 30 DGEDMM C[C@@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000769809645 622562992 /nfs/dbraw/zinc/56/29/92/622562992.db2.gz GKOJGNANUWNZEF-SNVBAGLBSA-N -1 1 316.409 3.265 20 30 DGEDMM Cc1ccccc1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000769806651 622563040 /nfs/dbraw/zinc/56/30/40/622563040.db2.gz AAXIDWURVDEVLV-UHFFFAOYSA-N -1 1 324.388 3.041 20 30 DGEDMM C=CCOc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000789931749 625582380 /nfs/dbraw/zinc/58/23/80/625582380.db2.gz MBOCSBFTOKKMAX-UHFFFAOYSA-N -1 1 304.733 3.258 20 30 DGEDMM Cc1ccc2ncc(/C=C3\Oc4cc([O-])cc(C)c4C3=O)n2c1 ZINC000771855903 622804437 /nfs/dbraw/zinc/80/44/37/622804437.db2.gz CVJWMRQWYKTFAE-UUASQNMZSA-N -1 1 306.321 3.273 20 30 DGEDMM Cc1ccc2ncc(/C=C3/Oc4cc([O-])cc(C)c4C3=O)n2c1 ZINC000771855882 622804853 /nfs/dbraw/zinc/80/48/53/622804853.db2.gz CVJWMRQWYKTFAE-GIDUJCDVSA-N -1 1 306.321 3.273 20 30 DGEDMM COc1c([O-])c(C=NNc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000773055137 622974194 /nfs/dbraw/zinc/97/41/94/622974194.db2.gz OXVLZSWULBTRKJ-UHFFFAOYSA-N -1 1 323.255 3.033 20 30 DGEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1nccnc1Cl ZINC000790163689 625610824 /nfs/dbraw/zinc/61/08/24/625610824.db2.gz BIAUHNXBXHKQGO-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc([N+](=O)[O-])cc1F ZINC000777915745 623584350 /nfs/dbraw/zinc/58/43/50/623584350.db2.gz QZDYAWIBRXXMJC-LHHJGKSTSA-N -1 1 301.229 3.056 20 30 DGEDMM COc1ccc2nc(N=NCc3ccc(C(=O)[O-])[nH]3)c(C)cc2c1 ZINC000777911397 623584482 /nfs/dbraw/zinc/58/44/82/623584482.db2.gz IUJABYWYQRPWOS-UHFFFAOYSA-N -1 1 324.340 3.024 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)c1 ZINC000777918470 623585271 /nfs/dbraw/zinc/58/52/71/623585271.db2.gz LYGDNPYQFZHVSK-ZZXKWVIFSA-N -1 1 317.272 3.344 20 30 DGEDMM COC(=O)c1cccc(NN=C(C)c2ccc(F)cc2[O-])c1 ZINC000779826198 623815493 /nfs/dbraw/zinc/81/54/93/623815493.db2.gz HPUSQLDBBKRMEA-UHFFFAOYSA-N -1 1 302.305 3.154 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cc(-n2ccnc2)cs1 ZINC000780186294 623873823 /nfs/dbraw/zinc/87/38/23/623873823.db2.gz GOAABAPZAFOJLB-KPKJPENVSA-N -1 1 308.362 3.462 20 30 DGEDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1cccc(C#N)c1 ZINC000783263974 624333088 /nfs/dbraw/zinc/33/30/88/624333088.db2.gz JMIPGIGRLPVCOA-VIFPVBQESA-N -1 1 303.264 3.460 20 30 DGEDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000784212777 624455667 /nfs/dbraw/zinc/45/56/67/624455667.db2.gz CRUAMTRJOOMTIZ-SNVBAGLBSA-N -1 1 312.281 3.090 20 30 DGEDMM N#Cc1ccc(COC(=O)c2ccc([O-])cc2F)c(Cl)c1 ZINC000784241706 624461951 /nfs/dbraw/zinc/46/19/51/624461951.db2.gz REBSZJXYVWERSO-UHFFFAOYSA-N -1 1 305.692 3.413 20 30 DGEDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCC[C@H]2C#N)c1[O-] ZINC000879307830 624494457 /nfs/dbraw/zinc/49/44/57/624494457.db2.gz DWNCHVPQUXSSQC-XHDPSFHLSA-N -1 1 306.793 3.372 20 30 DGEDMM C=CCCC[C@@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccccc1 ZINC000879705179 624645238 /nfs/dbraw/zinc/64/52/38/624645238.db2.gz MKVAJOCPFPXJFO-DOTOQJQBSA-N -1 1 303.402 3.211 20 30 DGEDMM CCc1cccc(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000788732525 625253035 /nfs/dbraw/zinc/25/30/35/625253035.db2.gz NOUICVJJFPSWOX-PTZVLDCSSA-N -1 1 318.756 3.131 20 30 DGEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000882712944 625795440 /nfs/dbraw/zinc/79/54/40/625795440.db2.gz UQIISQBCMARJOD-CYBMUJFWSA-N -1 1 322.430 3.299 20 30 DGEDMM O=C(C=Cc1ccc([O-])c(Br)c1)c1cc[nH]c(=O)c1 ZINC000791431214 625801364 /nfs/dbraw/zinc/80/13/64/625801364.db2.gz HKEADCXUOLPKSM-IWQZZHSRSA-N -1 1 320.142 3.151 20 30 DGEDMM N#CC(=C([O-])C=C1CCSCC1)c1cnc2ccccc2n1 ZINC000792110556 625910814 /nfs/dbraw/zinc/91/08/14/625910814.db2.gz OJEYNGSFFAYZFB-CYBMUJFWSA-N -1 1 309.394 3.259 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(C#N)c(OC)c2)c1 ZINC000799497110 626305695 /nfs/dbraw/zinc/30/56/95/626305695.db2.gz HMCSMKCCNRPAGA-QPJJXVBHSA-N -1 1 309.321 3.177 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C/c2ccc3c(c2)nnn3C)c([O-])c1 ZINC000799895249 626334000 /nfs/dbraw/zinc/33/40/00/626334000.db2.gz NATMLTXGZLPRDG-FNORWQNLSA-N -1 1 307.353 3.187 20 30 DGEDMM COc1cccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c1F ZINC000799890915 626334062 /nfs/dbraw/zinc/33/40/62/626334062.db2.gz DKAHXSPDOJPYCX-VGOFMYFVSA-N -1 1 300.285 3.465 20 30 DGEDMM COc1cccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c1F ZINC000799890914 626334106 /nfs/dbraw/zinc/33/41/06/626334106.db2.gz DKAHXSPDOJPYCX-AUWJEWJLSA-N -1 1 300.285 3.465 20 30 DGEDMM C[C@@H]1CC[C@@H](C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000800813341 626376174 /nfs/dbraw/zinc/37/61/74/626376174.db2.gz VABOAOICJPRJDJ-GHMZBOCLSA-N -1 1 316.409 3.121 20 30 DGEDMM C=CCC[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000801699831 626415597 /nfs/dbraw/zinc/41/55/97/626415597.db2.gz DNXUFFRTPHMNPE-OAHLLOKOSA-N -1 1 320.396 3.030 20 30 DGEDMM O=C([O-])c1cccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c1 ZINC000806558434 626720529 /nfs/dbraw/zinc/72/05/29/626720529.db2.gz CGNQQYZFTLYMPX-SNAWJCMRSA-N -1 1 304.248 3.265 20 30 DGEDMM COC(=O)c1cnc(S[C@@H](C#N)c2ccc(Cl)cc2)[n-]1 ZINC000806594910 626726126 /nfs/dbraw/zinc/72/61/26/626726126.db2.gz VUWOJONLSWBZGX-NSHDSACASA-N -1 1 307.762 3.207 20 30 DGEDMM COC(=O)c1c[n-]c(S[C@@H](C#N)c2ccc(Cl)cc2)n1 ZINC000806594910 626726130 /nfs/dbraw/zinc/72/61/30/626726130.db2.gz VUWOJONLSWBZGX-NSHDSACASA-N -1 1 307.762 3.207 20 30 DGEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1N1CCCC1 ZINC000809595138 626924294 /nfs/dbraw/zinc/92/42/94/626924294.db2.gz FRBNVIOHXJXKKX-UHFFFAOYSA-N -1 1 321.380 3.425 20 30 DGEDMM C#Cc1cccc(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000220028539 627170253 /nfs/dbraw/zinc/17/02/53/627170253.db2.gz FYEPQPQWVVFQEO-UHFFFAOYSA-N -1 1 316.154 3.388 20 30 DGEDMM Cn1cc(/C=C2\CCc3cc([O-])ccc3C2=O)c(C(F)F)n1 ZINC000812241335 627363880 /nfs/dbraw/zinc/36/38/80/627363880.db2.gz GRMBQMJBRBQNSA-UXBLZVDNSA-N -1 1 304.296 3.276 20 30 DGEDMM COc1ccc(F)cc1/C=C1\Oc2cc([O-])cc(C)c2C1=O ZINC000812242735 627364264 /nfs/dbraw/zinc/36/42/64/627364264.db2.gz ZPZGFUFWESADIM-CHHVJCJISA-N -1 1 300.285 3.465 20 30 DGEDMM CON(Cc1ccc(Cl)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000812798940 627422336 /nfs/dbraw/zinc/42/23/36/627422336.db2.gz ALJRFYCVOGTIBG-UHFFFAOYSA-N -1 1 316.744 3.121 20 30 DGEDMM CON=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814795720 627591760 /nfs/dbraw/zinc/59/17/60/627591760.db2.gz JVTOALFVXXPYIQ-UHFFFAOYSA-N -1 1 318.398 3.166 20 30 DGEDMM CC(C)CCC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000814846207 627597982 /nfs/dbraw/zinc/59/79/82/627597982.db2.gz CAJJCAWVOWZCFC-UHFFFAOYSA-N -1 1 304.398 3.121 20 30 DGEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927789666 628101515 /nfs/dbraw/zinc/10/15/15/628101515.db2.gz XONAHXNMVSNVPK-TXEJJXNPSA-N -1 1 322.355 3.106 20 30 DGEDMM C=CCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000819734165 628183913 /nfs/dbraw/zinc/18/39/13/628183913.db2.gz JHJBJNZBNKRSRW-CQSZACIVSA-N -1 1 306.373 3.381 20 30 DGEDMM C=CCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000819734165 628183915 /nfs/dbraw/zinc/18/39/15/628183915.db2.gz JHJBJNZBNKRSRW-CQSZACIVSA-N -1 1 306.373 3.381 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000821007574 628325257 /nfs/dbraw/zinc/32/52/57/628325257.db2.gz JGDPEFLQMRKTJP-KTAJNNJTSA-N -1 1 305.236 3.475 20 30 DGEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2o1 ZINC000821320409 628355976 /nfs/dbraw/zinc/35/59/76/628355976.db2.gz PEULZGVUVNPRGC-LBPRGKRZSA-N -1 1 306.277 3.016 20 30 DGEDMM N#C[C@@H](C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2o1 ZINC000821320409 628355981 /nfs/dbraw/zinc/35/59/81/628355981.db2.gz PEULZGVUVNPRGC-LBPRGKRZSA-N -1 1 306.277 3.016 20 30 DGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822224892 628430894 /nfs/dbraw/zinc/43/08/94/628430894.db2.gz DXKKPISYIYPKHK-QPJJXVBHSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822230866 628432304 /nfs/dbraw/zinc/43/23/04/628432304.db2.gz SKDHSOBDOCIFMW-FNORWQNLSA-N -1 1 310.382 3.441 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC000822921932 628509622 /nfs/dbraw/zinc/50/96/22/628509622.db2.gz APJGGIGOLXWSFO-ALCCZGGFSA-N -1 1 316.773 3.478 20 30 DGEDMM C#CCN(C(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC000824325431 628651278 /nfs/dbraw/zinc/65/12/78/628651278.db2.gz LUGAHRSSTWPUAA-UHFFFAOYSA-N -1 1 308.381 3.349 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@@H](C)C[C@H]2C)o1 ZINC000824899411 628703823 /nfs/dbraw/zinc/70/38/23/628703823.db2.gz JMDSXDKODFHAOA-NXEZZACHSA-N -1 1 317.397 3.202 20 30 DGEDMM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826288917 628840463 /nfs/dbraw/zinc/84/04/63/628840463.db2.gz BVRKLFAMIDSMAA-HYXAFXHYSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826288917 628840466 /nfs/dbraw/zinc/84/04/66/628840466.db2.gz BVRKLFAMIDSMAA-HYXAFXHYSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826297094 628841403 /nfs/dbraw/zinc/84/14/03/628841403.db2.gz VCDVJELPHFTRLB-SREVYHEPSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826297094 628841405 /nfs/dbraw/zinc/84/14/05/628841405.db2.gz VCDVJELPHFTRLB-SREVYHEPSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000826297903 628842137 /nfs/dbraw/zinc/84/21/37/628842137.db2.gz WJPICZHOUKDLAY-VOTSOKGWSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000826297903 628842139 /nfs/dbraw/zinc/84/21/39/628842139.db2.gz WJPICZHOUKDLAY-VOTSOKGWSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826316599 628845333 /nfs/dbraw/zinc/84/53/33/628845333.db2.gz SKYACOOEFNIXJI-IHWYPQMZSA-N -1 1 302.384 3.194 20 30 DGEDMM Cc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826316599 628845334 /nfs/dbraw/zinc/84/53/34/628845334.db2.gz SKYACOOEFNIXJI-IHWYPQMZSA-N -1 1 302.384 3.194 20 30 DGEDMM CCOc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830044795 629219612 /nfs/dbraw/zinc/21/96/12/629219612.db2.gz TWHJLYXUHOXMGB-SFHVURJKSA-N -1 1 324.380 3.181 20 30 DGEDMM C[C@H](C(=O)[O-])[C@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000833407436 629599561 /nfs/dbraw/zinc/59/95/61/629599561.db2.gz NTJBKJVXYCZBOY-SJCJKPOMSA-N -1 1 312.344 3.249 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000833407439 629599963 /nfs/dbraw/zinc/59/99/63/629599963.db2.gz NTJBKJVXYCZBOY-SJKOYZFVSA-N -1 1 312.344 3.249 20 30 DGEDMM N#CCC[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000833969867 629663671 /nfs/dbraw/zinc/66/36/71/629663671.db2.gz YBZQHIWSXBAPSK-HNNXBMFYSA-N -1 1 310.357 3.306 20 30 DGEDMM C=C(C)CC[C@H](C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000845867550 631199785 /nfs/dbraw/zinc/19/97/85/631199785.db2.gz BUJQNZOZZRSNFO-NSHDSACASA-N -1 1 324.446 3.433 20 30 DGEDMM C=C[C@H](C)O[N-]C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000846550088 631258961 /nfs/dbraw/zinc/25/89/61/631258961.db2.gz RJRLBUOFPSEWRB-UFBFGSQYSA-N -1 1 304.173 3.039 20 30 DGEDMM COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)ccc1OCC#N ZINC000187224093 660971625 /nfs/dbraw/zinc/97/16/25/660971625.db2.gz GVPQVCWLIDNWNI-ZSOIEALJSA-N -1 1 321.332 3.126 20 30 DGEDMM CC[C@H](C)CON=Cc1cc(O)cc(Br)c1[O-] ZINC000793146983 661007590 /nfs/dbraw/zinc/00/75/90/661007590.db2.gz WZAARTOPEAWNDN-QMMMGPOBSA-N -1 1 302.168 3.257 20 30 DGEDMM CC(C)(C#N)c1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000793941556 661062268 /nfs/dbraw/zinc/06/22/68/661062268.db2.gz MKNVJQQTWPLZNX-UHFFFAOYSA-N -1 1 315.760 3.494 20 30 DGEDMM O=[N+]([O-])c1c(F)cccc1NN=Cc1c(F)ccc([O-])c1F ZINC000794541127 661089904 /nfs/dbraw/zinc/08/99/04/661089904.db2.gz JBKNEMIKTJPXBC-UHFFFAOYSA-N -1 1 311.219 3.164 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccnn1-c1ccc(F)cc1 ZINC000794937554 661114751 /nfs/dbraw/zinc/11/47/51/661114751.db2.gz GTUQOQHWQQIFNL-RQZCQDPDSA-N -1 1 322.295 3.333 20 30 DGEDMM CC(=NNCc1ccccc1N(C)C)c1cc(F)cc(F)c1[O-] ZINC000794958676 661116764 /nfs/dbraw/zinc/11/67/64/661116764.db2.gz XFLWCPDQSWTWDG-UHFFFAOYSA-N -1 1 319.355 3.250 20 30 DGEDMM COc1ccc([O-])c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c1 ZINC000255296356 655688839 /nfs/dbraw/zinc/68/88/39/655688839.db2.gz OLNYFHYKROWMGM-ALCCZGGFSA-N -1 1 300.358 3.318 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)c1 ZINC000255422708 655746203 /nfs/dbraw/zinc/74/62/03/655746203.db2.gz UUUMPSRCFSURHE-VURMDHGXSA-N -1 1 314.385 3.328 20 30 DGEDMM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(F)c1)CO2 ZINC000299691285 657288559 /nfs/dbraw/zinc/28/85/59/657288559.db2.gz CALRLDZKLOYREO-IZZDOVSWSA-N -1 1 300.285 3.199 20 30 DGEDMM COc1cccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c1OC ZINC000045008174 658936250 /nfs/dbraw/zinc/93/62/50/658936250.db2.gz TUFZTRNWJVRCFX-OVCLIPMQSA-N -1 1 312.321 3.334 20 30 DGEDMM C[C@@H](CN(CCC#N)Cc1ccccn1)C(=O)c1ccc([O-])cc1 ZINC000929796447 661339247 /nfs/dbraw/zinc/33/92/47/661339247.db2.gz CDQFQDBHLKGYON-HNNXBMFYSA-N -1 1 323.396 3.022 20 30 DGEDMM COCCOc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1 ZINC000156656431 661863977 /nfs/dbraw/zinc/86/39/77/661863977.db2.gz CYMSRPAKLIHHML-FNORWQNLSA-N -1 1 314.337 3.019 20 30 DGEDMM C=CCC[C@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588579051 1192451514 /nfs/dbraw/zinc/45/15/14/1192451514.db2.gz JWIXVGOWSMHFIY-INIZCTEOSA-N -1 1 320.400 3.111 20 30 DGEDMM C=CCC[C@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588579051 1192451516 /nfs/dbraw/zinc/45/15/16/1192451516.db2.gz JWIXVGOWSMHFIY-INIZCTEOSA-N -1 1 320.400 3.111 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCC2CCCCC2)o1 ZINC001589773801 1192473629 /nfs/dbraw/zinc/47/36/29/1192473629.db2.gz NHLHTZGKPBYQJR-UHFFFAOYSA-N -1 1 317.397 3.346 20 30 DGEDMM CCCCCC(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001590588245 1192527901 /nfs/dbraw/zinc/52/79/01/1192527901.db2.gz UZPFGONINACXMN-UHFFFAOYSA-N -1 1 305.386 3.346 20 30 DGEDMM COc1ccc(-c2ccc(-c3nn[n-]n3)s2)cc1C1(C#N)CC1 ZINC001591555557 1192564918 /nfs/dbraw/zinc/56/49/18/1192564918.db2.gz HLHLGWKMIWNGHI-UHFFFAOYSA-N -1 1 323.381 3.159 20 30 DGEDMM Cc1cc(C)c(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)c([O-])c1 ZINC001591946087 1192581345 /nfs/dbraw/zinc/58/13/45/1192581345.db2.gz ZOAJOEGJGXXMNZ-VOTSOKGWSA-N -1 1 320.352 3.085 20 30 DGEDMM C=CCOc1cccnc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001598582700 1192776990 /nfs/dbraw/zinc/77/69/90/1192776990.db2.gz KLRKVMVRRNUYQQ-UHFFFAOYSA-N -1 1 322.723 3.397 20 30 DGEDMM Cc1cc(C#N)cc(C)c1CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001600074434 1192787323 /nfs/dbraw/zinc/78/73/23/1192787323.db2.gz DEUBTDOLUTUQPT-LJQANCHMSA-N -1 1 323.396 3.050 20 30 DGEDMM Cc1cc(/C=C\C(=O)c2cccc(CN(C)C)c2)oc1C(=O)[O-] ZINC001600185456 1192800911 /nfs/dbraw/zinc/80/09/11/1192800911.db2.gz AQKXUOFXCXKAGS-FPLPWBNLSA-N -1 1 313.353 3.244 20 30 DGEDMM N#CC1(c2ccccc2)CC(NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001601057538 1192914292 /nfs/dbraw/zinc/91/42/92/1192914292.db2.gz AHUKLPIZJYIULQ-UHFFFAOYSA-N -1 1 324.355 3.237 20 30 DGEDMM N#Cc1ccc([C@H](NCc2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC001601096976 1192918972 /nfs/dbraw/zinc/91/89/72/1192918972.db2.gz RQEWOGKFYHVOLE-HNNXBMFYSA-N -1 1 318.735 3.266 20 30 DGEDMM O=C([O-])c1cc(C=NNc2ccc(Cl)cn2)n2c1CCCC2 ZINC001602254774 1192965048 /nfs/dbraw/zinc/96/50/48/1192965048.db2.gz OUYAHTLODPBWFR-UHFFFAOYSA-N -1 1 318.764 3.017 20 30 DGEDMM CCCCCCCCCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001346152043 1179662750 /nfs/dbraw/zinc/66/27/50/1179662750.db2.gz FZFHNUIUCXJQEO-UHFFFAOYSA-N -1 1 311.451 3.260 20 30 DGEDMM O=C([O-])c1ccccc1-c1ccc(C=NNc2ccccn2)o1 ZINC001602462326 1192982360 /nfs/dbraw/zinc/98/23/60/1192982360.db2.gz BTUHMNBOWMMVBQ-UHFFFAOYSA-N -1 1 307.309 3.486 20 30 DGEDMM C=C(C)[C@H](NCc1ccc(C(=O)[O-])n1C)c1ccc(F)c(F)c1 ZINC001602747435 1192996224 /nfs/dbraw/zinc/99/62/24/1192996224.db2.gz RQFGWLNQJUJQOC-INIZCTEOSA-N -1 1 320.339 3.409 20 30 DGEDMM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc(C#N)c(F)c1 ZINC001602992381 1193005482 /nfs/dbraw/zinc/00/54/82/1193005482.db2.gz WUJHLERGNNGLSQ-UHFFFAOYSA-N -1 1 315.279 3.371 20 30 DGEDMM N#Cc1cccc([O-])c1NC(=S)Nc1ccc(F)c(F)c1 ZINC001200699445 1180833999 /nfs/dbraw/zinc/83/39/99/1180833999.db2.gz NNMKLKZWBQBQJM-UHFFFAOYSA-N -1 1 305.309 3.351 20 30 DGEDMM C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1OCC(=O)[O-] ZINC001604350732 1193069024 /nfs/dbraw/zinc/06/90/24/1193069024.db2.gz SIHGENIIOJBQHI-CQSZACIVSA-N -1 1 324.380 3.067 20 30 DGEDMM Cc1cc(C)cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001357545985 1181407366 /nfs/dbraw/zinc/40/73/66/1181407366.db2.gz YSKXQSDYEQZZCU-HNNXBMFYSA-N -1 1 316.364 3.319 20 30 DGEDMM CCCCCCCCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001441069114 1182055470 /nfs/dbraw/zinc/05/54/70/1182055470.db2.gz QNSPEPIBBZVZRI-UHFFFAOYSA-N -1 1 320.462 3.498 20 30 DGEDMM N#C[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001443533784 1182102918 /nfs/dbraw/zinc/10/29/18/1182102918.db2.gz NKIWMCWQVPKJGQ-CYBMUJFWSA-N -1 1 322.151 3.089 20 30 DGEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)CC1(c2ccccc2)CC1 ZINC001606165710 1193193300 /nfs/dbraw/zinc/19/33/00/1193193300.db2.gz FTKKBYXMAAQPDC-UHFFFAOYSA-N -1 1 320.392 3.420 20 30 DGEDMM C#C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)c1ccccc1 ZINC001469387124 1183406083 /nfs/dbraw/zinc/40/60/83/1183406083.db2.gz OQIALXZICNINNS-HNNXBMFYSA-N -1 1 320.323 3.184 20 30 DGEDMM C[C@@H]1CC[C@](C)(C=CC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(C)C ZINC001469565896 1183418666 /nfs/dbraw/zinc/41/86/66/1183418666.db2.gz GHBTVLNFXSFCNF-CVNQYGSUSA-N -1 1 311.389 3.110 20 30 DGEDMM Cc1[nH]c(CN(Cc2ccc(C#N)cc2)C2CC2)cc1C(=O)[O-] ZINC001607493694 1193232696 /nfs/dbraw/zinc/23/26/96/1193232696.db2.gz GDWKSQCURKCIGS-UHFFFAOYSA-N -1 1 309.369 3.058 20 30 DGEDMM CO[C@@H](Cc1ccccc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001472619758 1183657029 /nfs/dbraw/zinc/65/70/29/1183657029.db2.gz FKQSBRWSJZANGR-INIZCTEOSA-N -1 1 319.788 3.316 20 30 DGEDMM Cc1cc(CN2CCc3ccc(C(=O)[O-])cc3C2)ccc1C#N ZINC001607642017 1193243544 /nfs/dbraw/zinc/24/35/44/1193243544.db2.gz RYBRXSWYAHJMOQ-UHFFFAOYSA-N -1 1 306.365 3.123 20 30 DGEDMM CSc1ccc([O-])c(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC001546305866 1186475528 /nfs/dbraw/zinc/47/55/28/1186475528.db2.gz ONSHEQVDGJGPSF-UHFFFAOYSA-N -1 1 302.330 3.377 20 30 DGEDMM CCCCN(O)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001611657941 1193439122 /nfs/dbraw/zinc/43/91/22/1193439122.db2.gz NSODVWVYJLYPFG-UHFFFAOYSA-N -1 1 324.377 3.371 20 30 DGEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2ncc(Cl)n2C)cc1C ZINC001520030081 1186911881 /nfs/dbraw/zinc/91/18/81/1186911881.db2.gz UWNQWFNTGRUGQO-ZDUSSCGKSA-N -1 1 315.760 3.075 20 30 DGEDMM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1C1CCCC1 ZINC001524711800 1187262685 /nfs/dbraw/zinc/26/26/85/1187262685.db2.gz JUDOBEZWHGBUOC-ZDUSSCGKSA-N -1 1 312.348 3.331 20 30 DGEDMM CC(=O)c1cc(F)c([N-]C(=O)c2cscc2C#N)c(F)c1F ZINC001544909225 1188414982 /nfs/dbraw/zinc/41/49/82/1188414982.db2.gz YACORKPEUGDTJL-UHFFFAOYSA-N -1 1 324.283 3.492 20 30 DGEDMM C#CCOc1ccccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001556242538 1188991585 /nfs/dbraw/zinc/99/15/85/1188991585.db2.gz KXUHJXFWFPOQLA-UHFFFAOYSA-N -1 1 315.756 3.239 20 30 DGEDMM C=C(C)[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(F)c(F)c1 ZINC001556261683 1188992272 /nfs/dbraw/zinc/99/22/72/1188992272.db2.gz QXSNPFHNARDUKB-OAHLLOKOSA-N -1 1 318.323 3.421 20 30 DGEDMM N#Cc1ccc(C2(NC(=O)c3ccc([O-])cc3F)CCC2)cc1 ZINC001557227080 1189049065 /nfs/dbraw/zinc/04/90/65/1189049065.db2.gz WDFUMWBRFZLADF-UHFFFAOYSA-N -1 1 310.328 3.212 20 30 DGEDMM C=C[C@H](CC)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001558969133 1189159486 /nfs/dbraw/zinc/15/94/86/1189159486.db2.gz SVWIKJQJYNDVKV-SECBINFHSA-N -1 1 320.780 3.372 20 30 DGEDMM C=C[C@H](CC)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001558969133 1189159490 /nfs/dbraw/zinc/15/94/90/1189159490.db2.gz SVWIKJQJYNDVKV-SECBINFHSA-N -1 1 320.780 3.372 20 30 DGEDMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC001623517375 1193936832 /nfs/dbraw/zinc/93/68/32/1193936832.db2.gz FAJTULNPBKLNLM-KRWDZBQOSA-N -1 1 322.364 3.288 20 30 DGEDMM O=C(C#Cc1cccs1)Nc1cccc([O-])c1Br ZINC001624608207 1194005288 /nfs/dbraw/zinc/00/52/88/1194005288.db2.gz JIOPPQOBITTZQZ-UHFFFAOYSA-N -1 1 322.183 3.206 20 30 DGEDMM O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001632239593 1194378514 /nfs/dbraw/zinc/37/85/14/1194378514.db2.gz RKOBNUWIDIHZBA-FPYGCLRLSA-N -1 1 319.719 3.406 20 30 DGEDMM C[C@@H](OCCc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001639078172 1194749816 /nfs/dbraw/zinc/74/98/16/1194749816.db2.gz AZYLQVORUZCNCQ-CQSZACIVSA-N -1 1 317.360 3.191 20 30 DGEDMM N#Cc1ccc(C2(NC(=O)c3ccc(F)c([O-])c3)CCC2)cc1 ZINC001643802054 1195056041 /nfs/dbraw/zinc/05/60/41/1195056041.db2.gz ULSNNDGVXXUUMJ-UHFFFAOYSA-N -1 1 310.328 3.212 20 30 DGEDMM C=CCn1cc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2n1 ZINC001646450689 1195229126 /nfs/dbraw/zinc/22/91/26/1195229126.db2.gz PZVOQKKPKZNEMJ-UHFFFAOYSA-N -1 1 311.316 3.319 20 30 DGEDMM Cc1ccccc1OCC(=O)N([O-])Cc1ccccc1Cl ZINC001654811354 1195843528 /nfs/dbraw/zinc/84/35/28/1195843528.db2.gz DJJGYHRYIZUEAC-UHFFFAOYSA-N -1 1 305.761 3.445 20 30 DGEDMM N#CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000313442088 1199764657 /nfs/dbraw/zinc/76/46/57/1199764657.db2.gz IODFKANPBOZUQD-UHFFFAOYSA-N -1 1 312.394 3.042 20 30 DGEDMM O=C1c2ccc([O-])cc2OC1=Cc1nc(-c2ccccc2)c[nH]1 ZINC000171909805 1203857529 /nfs/dbraw/zinc/85/75/29/1203857529.db2.gz XLFUESYAOLOJCC-SXGWCWSVSA-N -1 1 304.305 3.399 20 30 DGEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC001594601714 956138790 /nfs/dbraw/zinc/13/87/90/956138790.db2.gz PTMPDBRIBXASDN-LBPRGKRZSA-N -1 1 312.350 3.209 20 30 DGEDMM N#Cc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594620509 956275589 /nfs/dbraw/zinc/27/55/89/956275589.db2.gz ISUUYEDSYOIRDA-WBVHZDCISA-N -1 1 310.328 3.100 20 30 DGEDMM C[C@](CC(=O)[O-])(NCC#Cc1ccccc1)c1cccc(F)c1 ZINC001592322134 977725293 /nfs/dbraw/zinc/72/52/93/977725293.db2.gz PNDJBZSOBUXXKB-LJQANCHMSA-N -1 1 311.356 3.157 20 30 DGEDMM CSc1ccccc1C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC001116909299 982936593 /nfs/dbraw/zinc/93/65/93/982936593.db2.gz SZECCDCAKYKMEA-UHFFFAOYSA-N -1 1 301.371 3.338 20 30 DGEDMM CCCN(Cc1cccc(C(=O)[O-])c1C#N)C[C@@H]1CCCCO1 ZINC001595899093 982947187 /nfs/dbraw/zinc/94/71/87/982947187.db2.gz COSBMNGAFMEMMZ-HNNXBMFYSA-N -1 1 316.401 3.038 20 30 DGEDMM C=C[C@@H](N[C@H](C)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC001588693073 983889808 /nfs/dbraw/zinc/88/98/08/983889808.db2.gz QSRCZDSMUAPILZ-KSBSHMNSSA-N -1 1 320.133 3.017 20 30 DGEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1cnn(C2CCC2)c1 ZINC001589017661 985006820 /nfs/dbraw/zinc/00/68/20/985006820.db2.gz XXALYQHQWLPSAM-UHFFFAOYSA-N -1 1 316.336 3.282 20 30 DGEDMM CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)[O-])n1 ZINC001591596693 992824865 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C#CCCCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000865354179 621900373 /nfs/dbraw/zinc/90/03/73/621900373.db2.gz WYIOCEGSTYBMFI-UHFFFAOYSA-N -1 1 306.431 3.350 20 30 DGEDMM C#CCOc1cccc(-c2noc(-c3ccc(OC)cc3[O-])n2)c1 ZINC000761786450 622029613 /nfs/dbraw/zinc/02/96/13/622029613.db2.gz WPHLXAKRKYIICX-UHFFFAOYSA-N -1 1 322.320 3.130 20 30 DGEDMM CO[C@H](C)c1nc(CN[C@H](C)c2cccc(C#N)c2[O-])cs1 ZINC000866280391 622084318 /nfs/dbraw/zinc/08/43/18/622084318.db2.gz VFZUGTUUHLBVSB-GHMZBOCLSA-N -1 1 317.414 3.279 20 30 DGEDMM C[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000866374204 622105699 /nfs/dbraw/zinc/10/56/99/622105699.db2.gz FLQZUYIXGVXBKX-PXAZEXFGSA-N -1 1 321.380 3.388 20 30 DGEDMM Oc1ccc(Cl)cc1/C=N/[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763098342 622122857 /nfs/dbraw/zinc/12/28/57/622122857.db2.gz WLVDUXRNJOSIAK-KHIIKVJLSA-N -1 1 322.836 3.108 20 30 DGEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1cccc(C(=O)[O-])c1 ZINC000764682618 622213188 /nfs/dbraw/zinc/21/31/88/622213188.db2.gz ONXZGRPZXNBVFD-UHFFFAOYSA-N -1 1 308.341 3.108 20 30 DGEDMM Cc1cccc2nc(CN=Cc3cc([N+](=O)[O-])ccc3[O-])[nH]c21 ZINC000765499102 622268486 /nfs/dbraw/zinc/26/84/86/622268486.db2.gz GBULQMWCECYHGB-IUXPMGMMSA-N -1 1 310.313 3.104 20 30 DGEDMM Cc1cc(F)ccc1NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000765584789 622275105 /nfs/dbraw/zinc/27/51/05/622275105.db2.gz RUGONLSXGPLSIP-UHFFFAOYSA-N -1 1 312.304 3.155 20 30 DGEDMM N#Cc1cccc(NN=Cc2ccc([O-])c(Br)c2)c1 ZINC000767336036 622390816 /nfs/dbraw/zinc/39/08/16/622390816.db2.gz LYOLAXXYHFTPCE-UHFFFAOYSA-N -1 1 316.158 3.472 20 30 DGEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000767352657 622392141 /nfs/dbraw/zinc/39/21/41/622392141.db2.gz YJRRKPMSGGWVPD-UHFFFAOYSA-N -1 1 312.369 3.448 20 30 DGEDMM C=C(C)C[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000767705534 622417785 /nfs/dbraw/zinc/41/77/85/622417785.db2.gz PWMBSMMFBLIIBT-LLVKDONJSA-N -1 1 302.326 3.144 20 30 DGEDMM CC[C@@H](C)C(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769810393 622563764 /nfs/dbraw/zinc/56/37/64/622563764.db2.gz QAJZBRXLMMMLBC-SECBINFHSA-N -1 1 304.398 3.121 20 30 DGEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@@H](C)C1CCCCC1 ZINC000769818696 622564580 /nfs/dbraw/zinc/56/45/80/622564580.db2.gz IUNHRXCNBCJOKH-SNVBAGLBSA-N -1 1 316.409 3.073 20 30 DGEDMM C=CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000769859641 622568978 /nfs/dbraw/zinc/56/89/78/622568978.db2.gz ROYUUWXWJLRDIZ-CYBMUJFWSA-N -1 1 302.761 3.488 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)cc1[O-] ZINC000871371264 622611450 /nfs/dbraw/zinc/61/14/50/622611450.db2.gz WRGPWWMLJCNQQX-IBGZPJMESA-N -1 1 324.355 3.365 20 30 DGEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C)ccc1OC ZINC000771552492 622775677 /nfs/dbraw/zinc/77/56/77/622775677.db2.gz HVDHIBASNRLWAH-UHFFFAOYSA-N -1 1 300.362 3.034 20 30 DGEDMM N#Cc1cc(Cl)ccc1COC(=O)c1ccc([O-])cc1F ZINC000772240611 622872087 /nfs/dbraw/zinc/87/20/87/622872087.db2.gz VGSCLWMQHLKOOK-UHFFFAOYSA-N -1 1 305.692 3.413 20 30 DGEDMM Cc1cccnc1NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000790191014 625615393 /nfs/dbraw/zinc/61/53/93/625615393.db2.gz ORASVWCQXKDLLO-UHFFFAOYSA-N -1 1 322.162 3.010 20 30 DGEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1ncncc1Cl ZINC000790176609 625613297 /nfs/dbraw/zinc/61/32/97/625613297.db2.gz RALWFQNCWIRMSB-UHFFFAOYSA-N -1 1 301.108 3.074 20 30 DGEDMM O=C(OCC#Cc1ccccc1Cl)c1ccc([O-])cc1F ZINC000773568365 623047363 /nfs/dbraw/zinc/04/73/63/623047363.db2.gz PYYMZFPSUKYACE-UHFFFAOYSA-N -1 1 304.704 3.393 20 30 DGEDMM N#Cc1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2O)c1 ZINC000776481401 623434731 /nfs/dbraw/zinc/43/47/31/623434731.db2.gz DAOYSHYUOCJWOX-UHFFFAOYSA-N -1 1 322.242 3.241 20 30 DGEDMM CC(=NNc1nc2ccccc2[nH]1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776721177 623455240 /nfs/dbraw/zinc/45/52/40/623455240.db2.gz ZHHRHLAPUDFGMA-UHFFFAOYSA-N -1 1 323.356 3.109 20 30 DGEDMM O=C(/C=C/c1cccc(Br)n1)c1ccc([O-])cc1 ZINC000777910520 623583655 /nfs/dbraw/zinc/58/36/55/623583655.db2.gz CWJXGGXJLYCPDG-RMKNXTFCSA-N -1 1 304.143 3.446 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccnn1-c1ccccc1 ZINC000790603823 625675740 /nfs/dbraw/zinc/67/57/40/625675740.db2.gz OEIONQVWKBLUTA-YVLHZVERSA-N -1 1 304.305 3.194 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cccc(-n2cccn2)c1 ZINC000780187855 623875163 /nfs/dbraw/zinc/87/51/63/623875163.db2.gz IVMWIAAPUBRBRD-OQLLNIDSSA-N -1 1 302.333 3.400 20 30 DGEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCC(C)(C)C1)nc2=O ZINC000783842359 624400182 /nfs/dbraw/zinc/40/01/82/624400182.db2.gz KRRRRUCVCWBRKN-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM CC(=NN[C@@H](CO)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000788470378 625188467 /nfs/dbraw/zinc/18/84/67/625188467.db2.gz WYUJUEPRHUWDCU-HNNXBMFYSA-N -1 1 304.777 3.093 20 30 DGEDMM O=S1(=O)[N-]C(=NN=CCC2CCCCCC2)c2ccccc21 ZINC000799108688 626272615 /nfs/dbraw/zinc/27/26/15/626272615.db2.gz GMKOKTFJVJSACY-UHFFFAOYSA-N -1 1 319.430 3.071 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1coc(C(C)C)n1 ZINC000799482158 626304282 /nfs/dbraw/zinc/30/42/82/626304282.db2.gz JIMJCUZLWDMXGE-UHFFFAOYSA-N -1 1 317.345 3.341 20 30 DGEDMM C[C@@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C(C)(C)C ZINC000800813116 626376159 /nfs/dbraw/zinc/37/61/59/626376159.db2.gz QKFTYFJWRSDWBB-JTQLQIEISA-N -1 1 318.425 3.367 20 30 DGEDMM Cc1[nH]c(CN=Nc2nc3ccccc3cc2C)cc1C(=O)[O-] ZINC000800815451 626376607 /nfs/dbraw/zinc/37/66/07/626376607.db2.gz ZKUDUXNFHYMZOD-UHFFFAOYSA-N -1 1 308.341 3.324 20 30 DGEDMM C#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cc1F ZINC000804422525 626678340 /nfs/dbraw/zinc/67/83/40/626678340.db2.gz PVKUZDMNCVEKEX-AWEZNQCLSA-N -1 1 321.710 3.428 20 30 DGEDMM Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)ccc1C#N ZINC000806561788 626721659 /nfs/dbraw/zinc/72/16/59/626721659.db2.gz ZZXDHCDDUDDUDS-CLTKARDFSA-N -1 1 307.305 3.167 20 30 DGEDMM CCc1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2nccs2)cc1 ZINC000809257838 626899711 /nfs/dbraw/zinc/89/97/11/626899711.db2.gz PPXPNVSIWKNCOC-GFCCVEGCSA-N -1 1 321.352 3.178 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@@H](CO)c1ccccc1C(F)(F)F ZINC000886567125 627164744 /nfs/dbraw/zinc/16/47/44/627164744.db2.gz HKAVIGJBTCCOGY-NSHDSACASA-N -1 1 323.261 3.066 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@H](CO)c1ccccc1C(F)(F)F ZINC000886567124 627164815 /nfs/dbraw/zinc/16/48/15/627164815.db2.gz HKAVIGJBTCCOGY-LLVKDONJSA-N -1 1 323.261 3.066 20 30 DGEDMM N#CC(=C([O-])C=Cc1cccnc1)c1cc(C(F)(F)F)ccn1 ZINC000813212944 627467505 /nfs/dbraw/zinc/46/75/05/627467505.db2.gz GQYDDIQBMCHENJ-SCOBNMCVSA-N -1 1 317.270 3.385 20 30 DGEDMM N#CC(=C([O-])C=Cc1cccnc1)c1cc(C(F)(F)F)ccn1 ZINC000813212942 627467518 /nfs/dbraw/zinc/46/75/18/627467518.db2.gz GQYDDIQBMCHENJ-ITDFMYJTSA-N -1 1 317.270 3.385 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C\c2cnn(CC(F)F)c2)c([O-])c1 ZINC000814191091 627548787 /nfs/dbraw/zinc/54/87/87/627548787.db2.gz MBFMZZQIHJZMGQ-ARJAWSKDSA-N -1 1 306.312 3.367 20 30 DGEDMM CC(N=Nc1cnc2ccccc2n1)c1csc(C(=O)[O-])c1 ZINC000814830854 627596192 /nfs/dbraw/zinc/59/61/92/627596192.db2.gz UEYIJNIUCWWVFE-UHFFFAOYSA-N -1 1 312.354 3.226 20 30 DGEDMM Cc1nc(Cl)cc(N=NC(C)c2csc(C(=O)[O-])c2)n1 ZINC000814856061 627598935 /nfs/dbraw/zinc/59/89/35/627598935.db2.gz ZVPKIWCSIDENSI-UHFFFAOYSA-N -1 1 310.766 3.034 20 30 DGEDMM CC(=NNCC(=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000814956826 627613725 /nfs/dbraw/zinc/61/37/25/627613725.db2.gz MNAZZQZXCXNNMA-UHFFFAOYSA-N -1 1 313.382 3.293 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ncoc2C2CC2)cc1 ZINC000815908187 627712163 /nfs/dbraw/zinc/71/21/63/627712163.db2.gz VIFHJLLYXZTJOA-CQSZACIVSA-N -1 1 323.352 3.076 20 30 DGEDMM CC[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cccc(C#N)c1[O-] ZINC000926092121 627841177 /nfs/dbraw/zinc/84/11/77/627841177.db2.gz XTNVGKDPYVPLBL-KRWDZBQOSA-N -1 1 321.380 3.113 20 30 DGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000822225356 628430648 /nfs/dbraw/zinc/43/06/48/628430648.db2.gz ZSDUFNUEBRQSIE-HYXAFXHYSA-N -1 1 302.384 3.194 20 30 DGEDMM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1C ZINC000822284516 628436420 /nfs/dbraw/zinc/43/64/20/628436420.db2.gz SFUPMWVMIYYRTB-SOFGYWHQSA-N -1 1 310.382 3.441 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H](C)[C@@H]2C)o1 ZINC000824352758 628653955 /nfs/dbraw/zinc/65/39/55/628653955.db2.gz LTFTVXJBDYZHTI-ZJUUUORDSA-N -1 1 317.397 3.202 20 30 DGEDMM C=CCC1(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)CCC1 ZINC000840487249 628658670 /nfs/dbraw/zinc/65/86/70/628658670.db2.gz GCPOAOMIRMNBEJ-UHFFFAOYSA-N -1 1 314.337 3.288 20 30 DGEDMM CCC(F)(F)C(=O)[N-][C@H](C#N)c1cccc(Br)c1 ZINC000824990498 628714380 /nfs/dbraw/zinc/71/43/80/628714380.db2.gz JHJGKZSUQRCTJN-SNVBAGLBSA-N -1 1 317.133 3.175 20 30 DGEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000825256686 628743703 /nfs/dbraw/zinc/74/37/03/628743703.db2.gz ZIJQAOIKKRTHQT-ZFWWWQNUSA-N -1 1 320.820 3.060 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000826286380 628839801 /nfs/dbraw/zinc/83/98/01/628839801.db2.gz ZWZYJZZCIATKIA-SNAWJCMRSA-N -1 1 302.384 3.194 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000826286380 628839802 /nfs/dbraw/zinc/83/98/02/628839802.db2.gz ZWZYJZZCIATKIA-SNAWJCMRSA-N -1 1 302.384 3.194 20 30 DGEDMM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826288916 628840253 /nfs/dbraw/zinc/84/02/53/628840253.db2.gz BVRKLFAMIDSMAA-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826288916 628840256 /nfs/dbraw/zinc/84/02/56/628840256.db2.gz BVRKLFAMIDSMAA-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM C#CC[C@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000826578582 628861355 /nfs/dbraw/zinc/86/13/55/628861355.db2.gz HRCUBAVDJABILP-HNNXBMFYSA-N -1 1 322.412 3.101 20 30 DGEDMM CCC(F)(F)C(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000829598773 629173405 /nfs/dbraw/zinc/17/34/05/629173405.db2.gz DNLGJLJFBSQKAG-UHFFFAOYSA-N -1 1 305.246 3.218 20 30 DGEDMM CCOc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830044793 629219594 /nfs/dbraw/zinc/21/95/94/629219594.db2.gz TWHJLYXUHOXMGB-GOSISDBHSA-N -1 1 324.380 3.181 20 30 DGEDMM CN(Cc1ccc(F)cc1F)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825444 629308970 /nfs/dbraw/zinc/30/89/70/629308970.db2.gz WQCAWTNYJUCPHU-INIZCTEOSA-N -1 1 316.307 3.094 20 30 DGEDMM C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1CC(=O)[O-] ZINC000833375919 629594527 /nfs/dbraw/zinc/59/45/27/629594527.db2.gz JJPSJAHRMRSCIN-UHFFFAOYSA-N -1 1 320.392 3.374 20 30 DGEDMM C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1C(=O)[O-] ZINC000833375615 629594722 /nfs/dbraw/zinc/59/47/22/629594722.db2.gz BPNVQNCDHZDZTI-UHFFFAOYSA-N -1 1 306.365 3.445 20 30 DGEDMM CC(C)CC[C@H]1CCC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000834958164 629812464 /nfs/dbraw/zinc/81/24/64/629812464.db2.gz GHWNLLLVMODOPY-NSHDSACASA-N -1 1 316.409 3.073 20 30 DGEDMM Cc1nn(C(C)C)cc1C=NNc1ccc(C(=O)[O-])cc1F ZINC000835008708 629821990 /nfs/dbraw/zinc/82/19/90/629821990.db2.gz NEXKISGRTWWRSK-UHFFFAOYSA-N -1 1 304.325 3.056 20 30 DGEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)[C@H]1C[C@H]1C ZINC000841627069 630449292 /nfs/dbraw/zinc/44/92/92/630449292.db2.gz WQRMSKPKKYKMSH-ZJUUUORDSA-N -1 1 316.409 3.121 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccnn2CC(C)C)c1 ZINC000843268982 630639349 /nfs/dbraw/zinc/63/93/49/630639349.db2.gz KOPOIUYMTLYFKB-XQRVVYSFSA-N -1 1 300.358 3.149 20 30 DGEDMM C#CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000843998760 630706112 /nfs/dbraw/zinc/70/61/12/630706112.db2.gz HYSAKGTZUMBJLN-LLVKDONJSA-N -1 1 322.202 3.030 20 30 DGEDMM CCOC(=O)C(C)(C)CCCC(C)N=Nc1nc(C)cc(=O)[n-]1 ZINC000844562697 630739651 /nfs/dbraw/zinc/73/96/51/630739651.db2.gz IZPBGHMFPLXUCV-UHFFFAOYSA-N -1 1 322.409 3.038 20 30 DGEDMM C#CC[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000849344666 631897550 /nfs/dbraw/zinc/89/75/50/631897550.db2.gz QRACTYFFTIFPHX-CQSZACIVSA-N -1 1 324.380 3.275 20 30 DGEDMM N#CC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCCCC1 ZINC000849473478 631912368 /nfs/dbraw/zinc/91/23/68/631912368.db2.gz KTIIEANNOKDINH-UHFFFAOYSA-N -1 1 318.398 3.185 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1c(F)ccc(O)c1F)O2 ZINC000794936867 661114796 /nfs/dbraw/zinc/11/47/96/661114796.db2.gz GEQAZCGQCLWJDW-MLPAPPSSSA-N -1 1 304.248 3.301 20 30 DGEDMM O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cc(F)ccc1[O-] ZINC000255515817 655783990 /nfs/dbraw/zinc/78/39/90/655783990.db2.gz IVISWAIKMMUFHN-KTAJNNJTSA-N -1 1 303.245 3.041 20 30 DGEDMM C=CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000171157399 659263571 /nfs/dbraw/zinc/26/35/71/659263571.db2.gz PMEHGCZYXMCWHN-YRNVUSSQSA-N -1 1 311.815 3.394 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccncc1 ZINC000192763195 662110657 /nfs/dbraw/zinc/11/06/57/662110657.db2.gz KPDCHEHGAVCCMG-HNQUOIGGSA-N -1 1 304.143 3.446 20 30 DGEDMM CCCCCCC[C@H](C)CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001577505927 1191905782 /nfs/dbraw/zinc/90/57/82/1191905782.db2.gz PGSKNKBAVBZCCF-LBPRGKRZSA-N -1 1 319.409 3.186 20 30 DGEDMM CCCCCCC[C@H](C)CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001577505927 1191905783 /nfs/dbraw/zinc/90/57/83/1191905783.db2.gz PGSKNKBAVBZCCF-LBPRGKRZSA-N -1 1 319.409 3.186 20 30 DGEDMM C=CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001588560917 1192449564 /nfs/dbraw/zinc/44/95/64/1192449564.db2.gz VPFYNKLQJHGAIZ-JQWIXIFHSA-N -1 1 318.812 3.462 20 30 DGEDMM C=CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001588560917 1192449567 /nfs/dbraw/zinc/44/95/67/1192449567.db2.gz VPFYNKLQJHGAIZ-JQWIXIFHSA-N -1 1 318.812 3.462 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](C)CC[C@H]2C)o1 ZINC001590228644 1192494057 /nfs/dbraw/zinc/49/40/57/1192494057.db2.gz ZBQIKAISQURNIB-VHSXEESVSA-N -1 1 317.397 3.202 20 30 DGEDMM Cc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2)c([O-])c1 ZINC001591945224 1192582148 /nfs/dbraw/zinc/58/21/48/1192582148.db2.gz BRJINMKBHCJINI-YVMONPNESA-N -1 1 320.352 3.085 20 30 DGEDMM N#CC1(CCSc2cccnc2-c2nnn[n-]2)CCCCC1 ZINC001592668219 1192625807 /nfs/dbraw/zinc/62/58/07/1192625807.db2.gz HVFFBWNEIYCZHI-UHFFFAOYSA-N -1 1 314.418 3.218 20 30 DGEDMM N#CC1(CCSc2cccnc2-c2nn[n-]n2)CCCCC1 ZINC001592668219 1192625810 /nfs/dbraw/zinc/62/58/10/1192625810.db2.gz HVFFBWNEIYCZHI-UHFFFAOYSA-N -1 1 314.418 3.218 20 30 DGEDMM Cc1cc(C#N)cc(C)c1CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001600074433 1192787152 /nfs/dbraw/zinc/78/71/52/1192787152.db2.gz DEUBTDOLUTUQPT-IBGZPJMESA-N -1 1 323.396 3.050 20 30 DGEDMM Cc1ccc(CNCc2ccccc2O[C@H](C)C(=O)[O-])cc1C#N ZINC001600420411 1192849942 /nfs/dbraw/zinc/84/99/42/1192849942.db2.gz YGXRDQLVJXNCFF-CQSZACIVSA-N -1 1 324.380 3.008 20 30 DGEDMM Cc1ccc(CNCc2ccccc2O[C@@H](C)C(=O)[O-])cc1C#N ZINC001600420410 1192850547 /nfs/dbraw/zinc/85/05/47/1192850547.db2.gz YGXRDQLVJXNCFF-AWEZNQCLSA-N -1 1 324.380 3.008 20 30 DGEDMM Cc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)cc1C#N ZINC001600414279 1192847385 /nfs/dbraw/zinc/84/73/85/1192847385.db2.gz KAEBQXLNDVKEJQ-UHFFFAOYSA-N -1 1 306.365 3.123 20 30 DGEDMM N#CC1(C(=O)[O-])CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC001601053027 1192914355 /nfs/dbraw/zinc/91/43/55/1192914355.db2.gz KTWXEAZMFPSRKH-UPHRSURJSA-N -1 1 304.777 3.044 20 30 DGEDMM N#CCC1(CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC001601061323 1192915263 /nfs/dbraw/zinc/91/52/63/1192915263.db2.gz CSZMNROIYXAIKR-UHFFFAOYSA-N -1 1 310.353 3.428 20 30 DGEDMM N#Cc1ccc(CN(Cc2ccsc2C(=O)[O-])C2CC2)cc1 ZINC001601100827 1192918956 /nfs/dbraw/zinc/91/89/56/1192918956.db2.gz NTKNBOKHJLPKMC-UHFFFAOYSA-N -1 1 312.394 3.483 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(P(C)(C)=O)cc2)n1 ZINC001345951148 1179627791 /nfs/dbraw/zinc/62/77/91/1179627791.db2.gz FNJUHOSUFRHYJF-ZDUSSCGKSA-N -1 1 318.338 3.190 20 30 DGEDMM C#C[C@H](C)N(C)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001602670217 1192993927 /nfs/dbraw/zinc/99/39/27/1192993927.db2.gz QOZFYQFLWUUKRZ-HNNXBMFYSA-N -1 1 323.392 3.417 20 30 DGEDMM C#C[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001602681537 1192994555 /nfs/dbraw/zinc/99/45/55/1192994555.db2.gz NJTQBZQURROLBF-QMTHXVAHSA-N -1 1 312.196 3.464 20 30 DGEDMM C#CCN(CC)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001602719617 1192995114 /nfs/dbraw/zinc/99/51/14/1192995114.db2.gz RSVKCZPEDGEPDC-UHFFFAOYSA-N -1 1 323.392 3.419 20 30 DGEDMM C=CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001602818424 1192998941 /nfs/dbraw/zinc/99/89/41/1192998941.db2.gz QYLUVVZUQFOJFV-UHFFFAOYSA-N -1 1 318.402 3.108 20 30 DGEDMM N#Cc1ccc(NC(=S)Nc2cc(F)cc(F)c2)c([O-])c1 ZINC001200670031 1180799477 /nfs/dbraw/zinc/79/94/77/1180799477.db2.gz QIJZOEKQWRYBOR-UHFFFAOYSA-N -1 1 305.309 3.351 20 30 DGEDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1CC#Cc1ccccc1Cl ZINC001604657407 1193086671 /nfs/dbraw/zinc/08/66/71/1193086671.db2.gz MUMRUJDCYDOCFJ-STQMWFEESA-N -1 1 305.805 3.265 20 30 DGEDMM CSc1ccc([O-])c(C(=O)Nc2ccc(OCC#N)cc2)c1 ZINC001440337471 1182036730 /nfs/dbraw/zinc/03/67/30/1182036730.db2.gz BTAPFCVJLFEKHX-UHFFFAOYSA-N -1 1 314.366 3.269 20 30 DGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc([O-])c1F ZINC001446650577 1182174297 /nfs/dbraw/zinc/17/42/97/1182174297.db2.gz WAQBBQVGJBGJRX-SNVBAGLBSA-N -1 1 300.289 3.074 20 30 DGEDMM N#Cc1ccccc1/C=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC001449451242 1182229419 /nfs/dbraw/zinc/22/94/19/1182229419.db2.gz WNFYCKQQBZZNSE-VMPITWQZSA-N -1 1 300.264 3.194 20 30 DGEDMM C=C(C)c1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC001456872919 1182433645 /nfs/dbraw/zinc/43/36/45/1182433645.db2.gz LVXDJTQMVTUBTB-UHFFFAOYSA-N -1 1 310.382 3.303 20 30 DGEDMM C=CC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2[O-])C1 ZINC001462416931 1182949025 /nfs/dbraw/zinc/94/90/25/1182949025.db2.gz UEQKHWBIBLWCMX-LLVKDONJSA-N -1 1 311.223 3.338 20 30 DGEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001463390347 1183022557 /nfs/dbraw/zinc/02/25/57/1183022557.db2.gz NZVLAPDCBHMQJM-NSHDSACASA-N -1 1 303.374 3.296 20 30 DGEDMM C=C[C@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001466024743 1183183233 /nfs/dbraw/zinc/18/32/33/1183183233.db2.gz LBGOCQPDEDHMMP-QMMMGPOBSA-N -1 1 321.174 3.007 20 30 DGEDMM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001468747176 1183354453 /nfs/dbraw/zinc/35/44/53/1183354453.db2.gz DBQMWIJSOAOFJQ-SNVBAGLBSA-N -1 1 316.307 3.359 20 30 DGEDMM N#Cc1ccc2c(c1)CN(C(=O)Cc1ccc([O-])c(Cl)c1)C2 ZINC001469461901 1183410818 /nfs/dbraw/zinc/41/08/18/1183410818.db2.gz QFSZEKODSHOBBD-UHFFFAOYSA-N -1 1 312.756 3.002 20 30 DGEDMM N#CC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCCCC1 ZINC001470193670 1183469740 /nfs/dbraw/zinc/46/97/40/1183469740.db2.gz NTWDCRRJKFYNNE-UHFFFAOYSA-N -1 1 324.380 3.455 20 30 DGEDMM N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC001608215224 1193283530 /nfs/dbraw/zinc/28/35/30/1193283530.db2.gz ZJOICMQNHIBDHO-MSOLQXFVSA-N -1 1 324.355 3.490 20 30 DGEDMM O=C([O-])Cn1cccc1CN=Nc1cc(Cl)ccc1Cl ZINC001608799396 1193304639 /nfs/dbraw/zinc/30/46/39/1193304639.db2.gz LWPHRGXSPYEXGS-UHFFFAOYSA-N -1 1 312.156 3.326 20 30 DGEDMM C=CCOc1ccccc1CNc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001609461574 1193340628 /nfs/dbraw/zinc/34/06/28/1193340628.db2.gz CKJDDDYUGRFTAL-UHFFFAOYSA-N -1 1 323.352 3.438 20 30 DGEDMM CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001609705128 1193350716 /nfs/dbraw/zinc/35/07/16/1193350716.db2.gz PXHOBEFMRDCVSE-UHFFFAOYSA-N -1 1 309.369 3.062 20 30 DGEDMM N#Cc1ccc([O-])c(NC(=O)c2ccc3ccc(O)cc3c2O)c1 ZINC001546332230 1186653379 /nfs/dbraw/zinc/65/33/79/1186653379.db2.gz BFONBJWFBDCDBC-UHFFFAOYSA-N -1 1 320.304 3.081 20 30 DGEDMM C=CCCCCCCCCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001520173326 1186920985 /nfs/dbraw/zinc/92/09/85/1186920985.db2.gz CCJKABLQSZKVDJ-UHFFFAOYSA-N -1 1 323.462 3.426 20 30 DGEDMM N#Cc1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2[O-])c1 ZINC001613056697 1193466043 /nfs/dbraw/zinc/46/60/43/1193466043.db2.gz IMGULRQZRZAGSH-UHFFFAOYSA-N -1 1 303.705 3.438 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CCCCC1 ZINC001544953253 1188415843 /nfs/dbraw/zinc/41/58/43/1188415843.db2.gz ZSLMTGBVBUPQBQ-KRWDZBQOSA-N -1 1 324.380 3.453 20 30 DGEDMM N#Cc1cc(F)c(C(=O)Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001556591957 1189008440 /nfs/dbraw/zinc/00/84/40/1189008440.db2.gz RSKNXZAMVCQJJS-UHFFFAOYSA-N -1 1 310.206 3.073 20 30 DGEDMM C#CCCOc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001556919906 1189029124 /nfs/dbraw/zinc/02/91/24/1189029124.db2.gz VSJZBSMNUQHFKV-UHFFFAOYSA-N -1 1 317.291 3.325 20 30 DGEDMM C=CCCCCCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001561548962 1189449376 /nfs/dbraw/zinc/44/93/76/1189449376.db2.gz HXNCKKLZWWOMOY-UHFFFAOYSA-N -1 1 303.374 3.380 20 30 DGEDMM C=CCN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1CC1 ZINC001566846064 1189920490 /nfs/dbraw/zinc/92/04/90/1189920490.db2.gz LIZGDDWNZRXPGH-UHFFFAOYSA-N -1 1 311.337 3.255 20 30 DGEDMM C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC001621706067 1193867019 /nfs/dbraw/zinc/86/70/19/1193867019.db2.gz CDYWRFVKMVOERB-LLVKDONJSA-N -1 1 300.383 3.029 20 30 DGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc([O-])c1F ZINC001625277623 1194041987 /nfs/dbraw/zinc/04/19/87/1194041987.db2.gz IWRGQDMEKRJIMV-UHFFFAOYSA-N -1 1 315.344 3.368 20 30 DGEDMM N#CCCN(C(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC001628161035 1194163602 /nfs/dbraw/zinc/16/36/02/1194163602.db2.gz CXVAWVBJWWMMMT-UHFFFAOYSA-N -1 1 302.280 3.231 20 30 DGEDMM C#CCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001635030999 1194528768 /nfs/dbraw/zinc/52/87/68/1194528768.db2.gz WEOSUBPXLDZUJQ-UHFFFAOYSA-N -1 1 313.784 3.250 20 30 DGEDMM Cc1cc(NCc2cccc(Br)c2[O-])ncc1C#N ZINC001639875031 1194785840 /nfs/dbraw/zinc/78/58/40/1194785840.db2.gz YPFLKMXOLLHSLN-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM C#C[C@H]([N-]c1nc2cc(Br)ccc2o1)[C@H]1CCCO1 ZINC001650989004 1195401243 /nfs/dbraw/zinc/40/12/43/1195401243.db2.gz KEFKMVHYWYDMRD-CMPLNLGQSA-N -1 1 321.174 3.183 20 30 DGEDMM C#C[C@@H]([N-]c1nc2cc(Br)ccc2o1)[C@H]1CCCO1 ZINC001650989008 1195401658 /nfs/dbraw/zinc/40/16/58/1195401658.db2.gz KEFKMVHYWYDMRD-ZYHUDNBSSA-N -1 1 321.174 3.183 20 30 DGEDMM N#Cc1cccc(NCc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC001651506969 1195472756 /nfs/dbraw/zinc/47/27/56/1195472756.db2.gz GCZGRWKWKHXTIZ-UHFFFAOYSA-N -1 1 303.705 3.438 20 30 DGEDMM CCCCCCCC[C@@H](CO)NC(=O)c1ccc(F)c([O-])c1 ZINC001653589527 1195737187 /nfs/dbraw/zinc/73/71/87/1195737187.db2.gz JEIOFZPAVYQATH-AWEZNQCLSA-N -1 1 311.397 3.373 20 30 DGEDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071140180 1195931771 /nfs/dbraw/zinc/93/17/71/1195931771.db2.gz XQVQUEAVXKGXLE-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C=C(CC)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001655642973 1195944728 /nfs/dbraw/zinc/94/47/28/1195944728.db2.gz HEHSCIJOXWPGON-UHFFFAOYSA-N -1 1 312.193 3.377 20 30 DGEDMM N#Cc1cccc([N+](=O)[O-])c1NCc1cccc(Cl)c1[O-] ZINC001655940823 1195980147 /nfs/dbraw/zinc/98/01/47/1195980147.db2.gz RINNPYGFDFZKJT-UHFFFAOYSA-N -1 1 303.705 3.438 20 30 DGEDMM C#C[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001683507712 1199276607 /nfs/dbraw/zinc/27/66/07/1199276607.db2.gz HGLIHDGAMJHTLZ-HNNXBMFYSA-N -1 1 314.772 3.219 20 30 DGEDMM CC(C)(C)c1cnc([C@H](C#N)C(=O)CCCCC(=O)[O-])s1 ZINC001588741957 961175406 /nfs/dbraw/zinc/17/54/06/961175406.db2.gz ORCIJNOBSTYGAH-SNVBAGLBSA-N -1 1 308.403 3.262 20 30 DGEDMM C#CC[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001573303246 962673706 /nfs/dbraw/zinc/67/37/06/962673706.db2.gz NCDWGDLTBLDZBI-IINYFYTJSA-N -1 1 312.196 3.464 20 30 DGEDMM C#C[C@@H](C)NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001588369058 983310482 /nfs/dbraw/zinc/31/04/82/983310482.db2.gz YZWLFOMDLWFQGQ-CQSZACIVSA-N -1 1 309.365 3.075 20 30 DGEDMM C#C[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001588382989 983376091 /nfs/dbraw/zinc/37/60/91/983376091.db2.gz MEDYVIMWPBSCMR-HZMBPMFUSA-N -1 1 312.196 3.464 20 30 DGEDMM CCCc1nc(C)cc(OCc2ccc(C#N)cc2)c1C(=O)[O-] ZINC001596090224 983415495 /nfs/dbraw/zinc/41/54/95/983415495.db2.gz XVJRHDGWPVWYHG-UHFFFAOYSA-N -1 1 310.353 3.491 20 30 DGEDMM CCc1cccc2cc(CN3CCC(C#N)(C(=O)[O-])CC3)oc21 ZINC001597603734 988472624 /nfs/dbraw/zinc/47/26/24/988472624.db2.gz QXPXOBNZTQMILR-UHFFFAOYSA-N -1 1 312.369 3.186 20 30 DGEDMM C[C@@H](NCc1cc(C#N)ccc1F)c1cc(C(=O)[O-])cs1 ZINC001593288462 994656731 /nfs/dbraw/zinc/65/67/31/994656731.db2.gz KIKUXZJWEQVDJW-SECBINFHSA-N -1 1 304.346 3.308 20 30 DGEDMM COc1cc(C#N)ccc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599347368 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CCc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001181179424 1083424209 /nfs/dbraw/zinc/42/42/09/1083424209.db2.gz MYZZYPXJNTYUHC-UHFFFAOYSA-N -1 1 322.364 3.428 20 30 DGEDMM N#Cc1ccc(NC(=O)Cc2c[nH]c3c2cccc3F)c([O-])c1 ZINC001182577805 1083756135 /nfs/dbraw/zinc/75/61/35/1083756135.db2.gz OPXXINMZIXHMFW-UHFFFAOYSA-N -1 1 309.300 3.065 20 30 DGEDMM CC(C)[C@H](C(=O)N([O-])C(=N)c1ccccc1N)c1ccccc1 ZINC001183577395 1083978159 /nfs/dbraw/zinc/97/81/59/1083978159.db2.gz ZJPYXANSELPOFU-INIZCTEOSA-N -1 1 311.385 3.252 20 30 DGEDMM CC(C)P(CCNC(=O)CCC(=O)C1=CC=C[CH]1)C(C)C ZINC001184247298 1084136769 /nfs/dbraw/zinc/13/67/69/1084136769.db2.gz KWBFWMYNOAMQBD-UHFFFAOYSA-N -1 1 308.382 3.451 20 30 DGEDMM O=C(C(=O)N([O-])Cc1cccc2ccccc21)c1ccccc1 ZINC001184341443 1084164129 /nfs/dbraw/zinc/16/41/29/1084164129.db2.gz ZLMCOEVVTAUTBF-UHFFFAOYSA-N -1 1 305.333 3.441 20 30 DGEDMM N#Cc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC001186461402 1084657044 /nfs/dbraw/zinc/65/70/44/1084657044.db2.gz 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CCS[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614370910 400888331 /nfs/dbraw/zinc/88/83/31/400888331.db2.gz JCIPZXMGJRUMKX-DZGCQCFKSA-N -1 1 304.415 3.058 20 30 DGEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000055578644 400878828 /nfs/dbraw/zinc/87/88/28/400878828.db2.gz ODXZWXLLCWBULJ-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)cc1[O-] ZINC000598575840 400834160 /nfs/dbraw/zinc/83/41/60/400834160.db2.gz UGLBGPZHIGAQAC-QGZVFWFLSA-N -1 1 319.364 3.026 20 30 DGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)c1ccccc1 ZINC000614366849 400886115 /nfs/dbraw/zinc/88/61/15/400886115.db2.gz YXJDAXUSCCTXAY-ZDUSSCGKSA-N -1 1 308.381 3.360 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000619462585 400851613 /nfs/dbraw/zinc/85/16/13/400851613.db2.gz OYJSHOFHPGTQEJ-UHFFFAOYSA-N -1 1 322.336 3.491 20 30 DGEDMM COc1nc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)co1 ZINC000599409390 401043145 /nfs/dbraw/zinc/04/31/45/401043145.db2.gz OBLQEZHISJEGFG-SNVBAGLBSA-N -1 1 317.370 3.330 20 30 DGEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC000615468791 401087276 /nfs/dbraw/zinc/08/72/76/401087276.db2.gz KXSIVJBHBSSZAU-QGZVFWFLSA-N -1 1 306.365 3.487 20 30 DGEDMM CC1(c2ccccc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189009401 165146447 /nfs/dbraw/zinc/14/64/47/165146447.db2.gz GELOKJSHVLMLEJ-UHFFFAOYSA-N -1 1 320.392 3.458 20 30 DGEDMM N#Cc1ccc(C(=O)NCCc2ccc3ccccc3c2)cc1[O-] ZINC000190489409 432162525 /nfs/dbraw/zinc/16/25/25/432162525.db2.gz UYNQAFAUTRQXES-UHFFFAOYSA-N -1 1 316.360 3.390 20 30 DGEDMM N#CC(=C([O-])c1cc(F)cc(F)c1)c1cnc2ccccc2n1 ZINC000190955551 432205072 /nfs/dbraw/zinc/20/50/72/432205072.db2.gz ZFRAHHHZQMJSBA-CYBMUJFWSA-N -1 1 309.275 3.398 20 30 DGEDMM N#CC1(NC(=O)c2ccc3ccccc3c2[O-])CCSCC1 ZINC000152667063 227076167 /nfs/dbraw/zinc/07/61/67/227076167.db2.gz NCRGSZPKTOPAEJ-UHFFFAOYSA-N -1 1 312.394 3.065 20 30 DGEDMM N#C[C@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000153801762 227091471 /nfs/dbraw/zinc/09/14/71/227091471.db2.gz IZYGWHOUNGBPDP-NSHDSACASA-N -1 1 322.151 3.089 20 30 DGEDMM N#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1Cl ZINC000179570313 228352407 /nfs/dbraw/zinc/35/24/07/228352407.db2.gz VVAZDTDASUASNZ-CYBMUJFWSA-N -1 1 304.708 3.179 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCSC3(CCCCC3)C2)cc1[O-] ZINC000188619743 228464871 /nfs/dbraw/zinc/46/48/71/228464871.db2.gz SQYJDIMDEPIBMX-UHFFFAOYSA-N -1 1 316.426 3.156 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(Cl)c3)nc1-2 ZINC000342703226 229116128 /nfs/dbraw/zinc/11/61/28/229116128.db2.gz PNFNKJVNQDEBIB-VIFPVBQESA-N -1 1 316.773 3.471 20 30 DGEDMM Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)c(=O)[nH]1 ZINC000349288537 229211107 /nfs/dbraw/zinc/21/11/07/229211107.db2.gz VXBOHIPXXXGYAV-LLVKDONJSA-N -1 1 307.309 3.035 20 30 DGEDMM Cc1[nH]c2ccc(Cl)cc2c1C([O-])=C(C#N)c1ccncn1 ZINC000354465976 229295853 /nfs/dbraw/zinc/29/58/53/229295853.db2.gz LYGOAGRLFXIWBI-GFCCVEGCSA-N -1 1 310.744 3.410 20 30 DGEDMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355872231 229321122 /nfs/dbraw/zinc/32/11/22/229321122.db2.gz WOOJYMXCTPZDFO-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1[O-] ZINC000527490131 268202487 /nfs/dbraw/zinc/20/24/87/268202487.db2.gz NMIQYIJEGSMFAF-AWEZNQCLSA-N -1 1 320.270 3.297 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000527192121 268203347 /nfs/dbraw/zinc/20/33/47/268203347.db2.gz VEMNRMAGMSNJRV-SUMWQHHRSA-N -1 1 324.355 3.469 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000527192120 268204502 /nfs/dbraw/zinc/20/45/02/268204502.db2.gz VEMNRMAGMSNJRV-GUYCJALGSA-N -1 1 324.355 3.469 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1[O-] ZINC000442898436 279510571 /nfs/dbraw/zinc/51/05/71/279510571.db2.gz LFSZYRNHFZWTAN-MRXNPFEDSA-N -1 1 310.328 3.380 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000070431845 431249124 /nfs/dbraw/zinc/24/91/24/431249124.db2.gz SMHFNSKQGXILHK-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070940751 431265231 /nfs/dbraw/zinc/26/52/31/431265231.db2.gz BZBVFBMJICUQNZ-UHFFFAOYSA-N -1 1 313.231 3.027 20 30 DGEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000007057227 431333087 /nfs/dbraw/zinc/33/30/87/431333087.db2.gz IHYKEOFVCXNATA-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000075082492 431450735 /nfs/dbraw/zinc/45/07/35/431450735.db2.gz SFALSLIIWFPGKX-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000121698091 431804553 /nfs/dbraw/zinc/80/45/53/431804553.db2.gz LPQPNIUEMLMZSR-JTQLQIEISA-N -1 1 321.229 3.210 20 30 DGEDMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000032599820 431786241 /nfs/dbraw/zinc/78/62/41/431786241.db2.gz FWQXZEILJGBHHU-UHFFFAOYSA-N -1 1 316.382 3.148 20 30 DGEDMM CC(=Cc1ccc(Cl)cc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613820 432485027 /nfs/dbraw/zinc/48/50/27/432485027.db2.gz VCIOGPQWRSFOAC-YVMONPNESA-N -1 1 303.724 3.303 20 30 DGEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000272419234 432499358 /nfs/dbraw/zinc/49/93/58/432499358.db2.gz LPMRLVIAALOBCX-ZDUSSCGKSA-N -1 1 318.801 3.086 20 30 DGEDMM Cc1cc(Br)c([O-])c(NC(=O)C2(C#N)CCC2)c1 ZINC000272453867 432504058 /nfs/dbraw/zinc/50/40/58/432504058.db2.gz JWXRZNNWJWMVIC-UHFFFAOYSA-N -1 1 309.163 3.096 20 30 DGEDMM CCc1cc(=O)[n-]c(SCC#Cc2ccc(Cl)cc2)n1 ZINC000195060906 432597803 /nfs/dbraw/zinc/59/78/03/432597803.db2.gz CMIOHYBKCOHIKK-UHFFFAOYSA-N -1 1 304.802 3.130 20 30 DGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188272643 432714498 /nfs/dbraw/zinc/71/44/98/432714498.db2.gz OJRGYGJTTYICKR-UHFFFAOYSA-N -1 1 319.364 3.188 20 30 DGEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000188409531 432723191 /nfs/dbraw/zinc/72/31/91/432723191.db2.gz WFHHNBVNYUPSSG-UHFFFAOYSA-N -1 1 300.383 3.033 20 30 DGEDMM C=CC[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000188555393 432731714 /nfs/dbraw/zinc/73/17/14/432731714.db2.gz QNTCLPLVPSQDID-SNVBAGLBSA-N -1 1 310.279 3.122 20 30 DGEDMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188551524 432732696 /nfs/dbraw/zinc/73/26/96/432732696.db2.gz CUBZUDZDHKNUHO-QGZVFWFLSA-N -1 1 308.381 3.357 20 30 DGEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000235095724 432742099 /nfs/dbraw/zinc/74/20/99/432742099.db2.gz MCPJKIHGUKLSGF-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CC1(F)F ZINC000296682641 432924885 /nfs/dbraw/zinc/92/48/85/432924885.db2.gz BNNOVUJDKDYRHE-CDUCUWFYSA-N -1 1 315.188 3.340 20 30 DGEDMM C=CCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426768971 433593356 /nfs/dbraw/zinc/59/33/56/433593356.db2.gz DTNRSOKBOPUVLC-KRWDZBQOSA-N -1 1 315.344 3.306 20 30 DGEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427143470 433658702 /nfs/dbraw/zinc/65/87/02/433658702.db2.gz JAXJGFRABVRMNL-UHFFFAOYSA-N -1 1 318.373 3.451 20 30 DGEDMM O=C(NCC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436556227 434012629 /nfs/dbraw/zinc/01/26/29/434012629.db2.gz NHCNWTMGZSQKCJ-UHFFFAOYSA-N -1 1 319.176 3.041 20 30 DGEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357453395 434027296 /nfs/dbraw/zinc/02/72/96/434027296.db2.gz MWFKOUPPRGTRKA-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000416936788 434255002 /nfs/dbraw/zinc/25/50/02/434255002.db2.gz CDSMXDVHPDVNSB-CYBMUJFWSA-N -1 1 321.427 3.162 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1[O-] ZINC000437419794 434257155 /nfs/dbraw/zinc/25/71/55/434257155.db2.gz QXWMYCPLUHCZNZ-HDJSIYSDSA-N -1 1 310.328 3.079 20 30 DGEDMM C=C[C@@](C)(CC)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450698126 434346166 /nfs/dbraw/zinc/34/61/66/434346166.db2.gz PCSWMSAOICYLGS-HNNXBMFYSA-N -1 1 320.780 3.372 20 30 DGEDMM C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450698126 434346179 /nfs/dbraw/zinc/34/61/79/434346179.db2.gz PCSWMSAOICYLGS-HNNXBMFYSA-N -1 1 320.780 3.372 20 30 DGEDMM CCC1(c2ccccc2)CN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000458224542 434536790 /nfs/dbraw/zinc/53/67/90/434536790.db2.gz ZRIPSWISJBAUEZ-UHFFFAOYSA-N -1 1 306.365 3.068 20 30 DGEDMM Cc1cc(CCNC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000462476056 434914863 /nfs/dbraw/zinc/91/48/63/434914863.db2.gz ZFSGUMUHVHCZQE-UHFFFAOYSA-N -1 1 314.772 3.198 20 30 DGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H](C)C1CCCCC1 ZINC000557785394 435067800 /nfs/dbraw/zinc/06/78/00/435067800.db2.gz PCMFJGWQRXUBLE-NEPJUHHUSA-N -1 1 310.419 3.034 20 30 DGEDMM COc1cc(C)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000564823505 435273523 /nfs/dbraw/zinc/27/35/23/435273523.db2.gz YIXNJZZJSOOHCC-AWEZNQCLSA-N -1 1 317.348 3.437 20 30 DGEDMM N#C[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC12CCCC2 ZINC000556155939 341495843 /nfs/dbraw/zinc/49/58/43/341495843.db2.gz FMWBETHKHPIWBX-SFHVURJKSA-N -1 1 322.368 3.195 20 30 DGEDMM C=CCOc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1OC ZINC000340327677 526853014 /nfs/dbraw/zinc/85/30/14/526853014.db2.gz JQVLFKBJLGZQAW-UHFFFAOYSA-N -1 1 317.316 3.357 20 30 DGEDMM C=CCN(CC=C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338391900 527638331 /nfs/dbraw/zinc/63/83/31/527638331.db2.gz MYGCBXIWJKJBLA-UHFFFAOYSA-N -1 1 302.761 3.408 20 30 DGEDMM CCOc1cc(C(=O)N[C@@]2(C)CCCOC2)cc(Cl)c1[O-] ZINC000330890656 528189662 /nfs/dbraw/zinc/18/96/62/528189662.db2.gz WMPWNUJGJOPWLZ-HNNXBMFYSA-N -1 1 313.781 3.318 20 30 DGEDMM CCOc1cc(C(=O)N(C)CC(C)(C)C#N)cc(Cl)c1[O-] ZINC000353248076 528207924 /nfs/dbraw/zinc/20/79/24/528207924.db2.gz BLBAICAMJJCVRQ-UHFFFAOYSA-N -1 1 310.781 3.066 20 30 DGEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(Cl)cccc1OC(F)F ZINC000669477906 547645661 /nfs/dbraw/zinc/64/56/61/547645661.db2.gz KFQRHTQMWXTICD-VIFPVBQESA-N -1 1 319.735 3.450 20 30 DGEDMM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nccc2ccccc21 ZINC000669603739 547659437 /nfs/dbraw/zinc/65/94/37/547659437.db2.gz QNSGAICGVGKINU-OAHLLOKOSA-N -1 1 316.364 3.258 20 30 DGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000730996841 574541297 /nfs/dbraw/zinc/54/12/97/574541297.db2.gz XJCQAIUANOGAAP-UHFFFAOYSA-N -1 1 321.785 3.153 20 30 DGEDMM CC(C)N(CCC#N)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736463594 574754631 /nfs/dbraw/zinc/75/46/31/574754631.db2.gz RJYWDLATKGTKBF-UHFFFAOYSA-N -1 1 312.369 3.368 20 30 DGEDMM CC(C)Cc1nc(C#N)c(N=NCc2cc(F)c([O-])c(F)c2)o1 ZINC000749855809 575683451 /nfs/dbraw/zinc/68/34/51/575683451.db2.gz VLGRWXBEEGXPGS-UHFFFAOYSA-N -1 1 320.299 3.175 20 30 DGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(CC)c2)c1 ZINC000751212457 575775700 /nfs/dbraw/zinc/77/57/00/575775700.db2.gz GORIZDRQDKPXQZ-UHFFFAOYSA-N -1 1 315.394 3.062 20 30 DGEDMM CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000727776853 576144918 /nfs/dbraw/zinc/14/49/18/576144918.db2.gz IZKLEYAFFZXGEY-HZMBPMFUSA-N -1 1 323.437 3.298 20 30 DGEDMM COc1cc2c(c(/C=C3/Oc4cc([O-])ccc4C3=O)c1)O[C@@H](C)C2 ZINC000728439857 576182110 /nfs/dbraw/zinc/18/21/10/576182110.db2.gz PRBOXVKJCJPKIP-JVDJPWEPSA-N -1 1 324.332 3.340 20 30 DGEDMM Cc1cc(C#N)cc(NCc2cccc(Br)c2[O-])n1 ZINC000804654713 617604507 /nfs/dbraw/zinc/60/45/07/617604507.db2.gz XFOVIZPYSIUTRN-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM C=CCCSCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895694688 618818070 /nfs/dbraw/zinc/81/80/70/618818070.db2.gz ZNCPKGYYRNTVNW-UHFFFAOYSA-N -1 1 314.838 3.154 20 30 DGEDMM O=C(/C=C\c1cnn(CC2CCC2)c1)c1cc([O-])cc(F)c1 ZINC000899413279 619338939 /nfs/dbraw/zinc/33/89/39/619338939.db2.gz NZGJZUJVDWIHED-PLNGDYQASA-N -1 1 300.333 3.424 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccnn1CC1CCC1 ZINC000899416311 619339686 /nfs/dbraw/zinc/33/96/86/619339686.db2.gz ULIVWQSZJUZXLO-ALCCZGGFSA-N -1 1 300.333 3.424 20 30 DGEDMM C[C@@H](Oc1ccccc1F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376609 619492437 /nfs/dbraw/zinc/49/24/37/619492437.db2.gz VXFMXTMSXIYKPL-LLVKDONJSA-N -1 1 307.296 3.150 20 30 DGEDMM C=CCOc1cccc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)c1 ZINC000901917261 619560605 /nfs/dbraw/zinc/56/06/05/619560605.db2.gz XXDMOOFORRLOJZ-GOSISDBHSA-N -1 1 319.376 3.030 20 30 DGEDMM N#C[C@]1(C(=O)Nc2nc(Cl)ccc2[O-])CC2CCC1CC2 ZINC000907667376 620166603 /nfs/dbraw/zinc/16/66/03/620166603.db2.gz PXXCAJYIQBCTDL-HKJQSTPSSA-N -1 1 305.765 3.099 20 30 DGEDMM N#C[C@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CC2CCC1CC2 ZINC000913800876 620481640 /nfs/dbraw/zinc/48/16/40/620481640.db2.gz CCSPUERSLZVZEQ-FWXSHLFISA-N -1 1 318.804 3.382 20 30 DGEDMM O=C([O-])c1ccccc1C=NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000915976755 620610969 /nfs/dbraw/zinc/61/09/69/620610969.db2.gz JLQFZCUXAJPAKT-UHFFFAOYSA-N -1 1 319.704 3.392 20 30 DGEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000916241802 620622346 /nfs/dbraw/zinc/62/23/46/620622346.db2.gz VWJSTNVUIDLXDI-UHFFFAOYSA-N -1 1 322.315 3.318 20 30 DGEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cscn1 ZINC000103330141 621348855 /nfs/dbraw/zinc/34/88/55/621348855.db2.gz BDSHTCSCGYNKRG-ZDUSSCGKSA-N -1 1 321.361 3.257 20 30 DGEDMM CC(C)c1nc(C#N)c(N=NCc2cccc(Cl)c2[O-])o1 ZINC000753165828 621429314 /nfs/dbraw/zinc/42/93/14/621429314.db2.gz OCJBBKWCSOLEPD-UHFFFAOYSA-N -1 1 304.737 3.475 20 30 DGEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(F)c2)cnn1-c1ccccn1 ZINC000755598621 621580183 /nfs/dbraw/zinc/58/01/83/621580183.db2.gz JUOJNHBTNLGXQD-FNORWQNLSA-N -1 1 323.327 3.317 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cccc(Cl)c1 ZINC000756901458 621671353 /nfs/dbraw/zinc/67/13/53/621671353.db2.gz QOUYEQMTFYUILB-UHFFFAOYSA-N -1 1 304.733 3.493 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C)c(F)c1 ZINC000756901247 621671457 /nfs/dbraw/zinc/67/14/57/621671457.db2.gz MAGUSWGDNGUTLE-UHFFFAOYSA-N -1 1 302.305 3.287 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(O)c(Cl)c1 ZINC000756905767 621671834 /nfs/dbraw/zinc/67/18/34/621671834.db2.gz IYVCZRJHSPUTIC-UHFFFAOYSA-N -1 1 320.732 3.198 20 30 DGEDMM O=C(/C=C\c1nccn1Cc1ccccc1)c1cc(O)ccc1[O-] ZINC000757468736 621714477 /nfs/dbraw/zinc/71/44/77/621714477.db2.gz WEIZCPVFKGTLSL-HJWRWDBZSA-N -1 1 320.348 3.239 20 30 DGEDMM CC(=NNc1cc(C)ccc1F)c1cccc(OCC(=O)[O-])c1 ZINC000759663528 621880565 /nfs/dbraw/zinc/88/05/65/621880565.db2.gz DVZFUJMVGGIPPZ-UHFFFAOYSA-N -1 1 316.332 3.434 20 30 DGEDMM C#CCOc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000761994065 622044524 /nfs/dbraw/zinc/04/45/24/622044524.db2.gz ZKLFJMAGIVGLDE-UHFFFAOYSA-N -1 1 310.284 3.260 20 30 DGEDMM C[C@H](Nc1cccc(N2CCOCC2)c1)c1cccc(C#N)c1[O-] ZINC000866316590 622092569 /nfs/dbraw/zinc/09/25/69/622092569.db2.gz RPBGUVFTNJJMBW-AWEZNQCLSA-N -1 1 323.396 3.274 20 30 DGEDMM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1cccc(C#N)c1[O-] ZINC000866316593 622092651 /nfs/dbraw/zinc/09/26/51/622092651.db2.gz RPBGUVFTNJJMBW-CQSZACIVSA-N -1 1 323.396 3.274 20 30 DGEDMM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1cccc(C#N)c1[O-] ZINC000866330528 622095463 /nfs/dbraw/zinc/09/54/63/622095463.db2.gz PNDLUUMRMOHSNJ-LBPRGKRZSA-N -1 1 321.380 3.329 20 30 DGEDMM Cc1cc(N[C@H](C)c2cccc(C#N)c2[O-])cc(OCCO)c1 ZINC000866349811 622100229 /nfs/dbraw/zinc/10/02/29/622100229.db2.gz OVSPNUWWYAAHGO-CYBMUJFWSA-N -1 1 312.369 3.117 20 30 DGEDMM [O-]c1ccc(CN=Nc2ncnc3ccsc32)cc1Cl ZINC000764835400 622224600 /nfs/dbraw/zinc/22/46/00/622224600.db2.gz LLXVHICMCQDRCQ-UHFFFAOYSA-N -1 1 304.762 3.496 20 30 DGEDMM CC(N=Nc1ncc(F)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766029983 622301288 /nfs/dbraw/zinc/30/12/88/622301288.db2.gz QUXQAFALDGOJGK-UHFFFAOYSA-N -1 1 315.135 3.464 20 30 DGEDMM CC(C)CN(CCC#N)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768153818 622442227 /nfs/dbraw/zinc/44/22/27/622442227.db2.gz LAIIHGBEYDRHPT-UHFFFAOYSA-N -1 1 311.769 3.325 20 30 DGEDMM CC(CCC1CC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000768778139 622476511 /nfs/dbraw/zinc/47/65/11/622476511.db2.gz XHKXNTJLZPTESF-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc([O-])c(Cl)c1 ZINC000768776738 622476515 /nfs/dbraw/zinc/47/65/15/622476515.db2.gz RTVZZLCADPKXGS-QMMMGPOBSA-N -1 1 311.838 3.032 20 30 DGEDMM COc1ccsc1C(C)=NNc1ccc(C(=O)[O-])cc1OC ZINC000769798609 622561233 /nfs/dbraw/zinc/56/12/33/622561233.db2.gz COJMQMUEPOSNFY-UHFFFAOYSA-N -1 1 320.370 3.300 20 30 DGEDMM CC(C)C(=NNc1nc(=O)c2cnn(C)c2[n-]1)C1CCCCC1 ZINC000769809694 622562696 /nfs/dbraw/zinc/56/26/96/622562696.db2.gz ZZCKXPLLTDACFL-UHFFFAOYSA-N -1 1 316.409 3.073 20 30 DGEDMM CCC(CC)(CNC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000871262697 622581871 /nfs/dbraw/zinc/58/18/71/622581871.db2.gz JHEIYAKVKILPMN-UHFFFAOYSA-N -1 1 314.307 3.362 20 30 DGEDMM Cn1ncc(C2CCC2)c1/C=C/C(=O)c1cccc([O-])c1F ZINC000871672642 622663647 /nfs/dbraw/zinc/66/36/47/622663647.db2.gz TUGAQXPKFNTZTQ-CMDGGOBGSA-N -1 1 300.333 3.428 20 30 DGEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1nccs1 ZINC000774053109 623102622 /nfs/dbraw/zinc/10/26/22/623102622.db2.gz NUPUYBBYKICIHT-ZDUSSCGKSA-N -1 1 321.361 3.257 20 30 DGEDMM C#C[C@H]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000874861589 623378030 /nfs/dbraw/zinc/37/80/30/623378030.db2.gz QHOCYLCDOJSWST-UMSPYCQHSA-N -1 1 322.202 3.077 20 30 DGEDMM CN(C)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000776341707 623414365 /nfs/dbraw/zinc/41/43/65/623414365.db2.gz VBDBIFIFEATMSI-UHFFFAOYSA-N -1 1 315.760 3.236 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cccc(Br)n1 ZINC000777916354 623584633 /nfs/dbraw/zinc/58/46/33/623584633.db2.gz YAVNEEFATQTTQT-WUXMJOGZSA-N -1 1 318.126 3.166 20 30 DGEDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1F)c1cc(O)ccc1[O-] ZINC000777918948 623585377 /nfs/dbraw/zinc/58/53/77/623585377.db2.gz NYMLVFKDKZRLNG-GORDUTHDSA-N -1 1 303.245 3.041 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccnn1-c1ccccc1 ZINC000790603821 625675703 /nfs/dbraw/zinc/67/57/03/625675703.db2.gz OEIONQVWKBLUTA-LICLKQGHSA-N -1 1 304.305 3.194 20 30 DGEDMM Cc1nn(C)c(/C=C/C(=O)c2ccc([O-])cc2)c1Br ZINC000790599464 625675778 /nfs/dbraw/zinc/67/57/78/625675778.db2.gz YRBVMUGXGXBPLB-BQYQJAHWSA-N -1 1 321.174 3.093 20 30 DGEDMM COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)ccc1[N+](=O)[O-] ZINC000780188746 623874491 /nfs/dbraw/zinc/87/44/91/623874491.db2.gz XTOHQNHYMMYWGC-SDQBBNPISA-N -1 1 311.293 3.131 20 30 DGEDMM C=CC(C)(C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000878045030 624148571 /nfs/dbraw/zinc/14/85/71/624148571.db2.gz GJCIUKYJRKDGKL-UHFFFAOYSA-N -1 1 315.413 3.416 20 30 DGEDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(C#N)cc1 ZINC000783266236 624333033 /nfs/dbraw/zinc/33/30/33/624333033.db2.gz XONMTSDHYLRIRK-VIFPVBQESA-N -1 1 303.264 3.460 20 30 DGEDMM C=CCCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000787362769 625004539 /nfs/dbraw/zinc/00/45/39/625004539.db2.gz ZYPOYYVXJKHELN-UHFFFAOYSA-N -1 1 320.389 3.387 20 30 DGEDMM O=C1c2cc([N+](=O)[O-])ccc2OC/C1=C\c1ccc([O-])c(F)c1 ZINC000788364466 625138898 /nfs/dbraw/zinc/13/88/98/625138898.db2.gz ZGYGRDKIGIPTEQ-BJMVGYQFSA-N -1 1 315.256 3.098 20 30 DGEDMM COc1ccccc1-n1nccc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000797404882 626140411 /nfs/dbraw/zinc/14/04/11/626140411.db2.gz JWTUUSDEOQSHHY-FLIBITNWSA-N -1 1 320.348 3.483 20 30 DGEDMM O=C([O-])Cn1cc(C=NNc2ccccc2F)c2ccccc21 ZINC000799874563 626332826 /nfs/dbraw/zinc/33/28/26/626332826.db2.gz QQBRGXMYQPGBIM-UHFFFAOYSA-N -1 1 311.316 3.311 20 30 DGEDMM COC(=O)c1occc1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000799896590 626334522 /nfs/dbraw/zinc/33/45/22/626334522.db2.gz WXACRTRVYYLIKR-SNAWJCMRSA-N -1 1 300.310 3.285 20 30 DGEDMM COC(=O)c1occc1/C=C\C(=O)c1c(C)cc(C)cc1[O-] ZINC000799896588 626334576 /nfs/dbraw/zinc/33/45/76/626334576.db2.gz WXACRTRVYYLIKR-PLNGDYQASA-N -1 1 300.310 3.285 20 30 DGEDMM C[C@@H]1CC[C@H](C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000800813344 626376106 /nfs/dbraw/zinc/37/61/06/626376106.db2.gz VABOAOICJPRJDJ-MNOVXSKESA-N -1 1 316.409 3.121 20 30 DGEDMM C[C@H]1CC[C@H](C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000800813346 626376167 /nfs/dbraw/zinc/37/61/67/626376167.db2.gz VABOAOICJPRJDJ-QWRGUYRKSA-N -1 1 316.409 3.121 20 30 DGEDMM CCCCN(Cc1ccccc1O)C(=O)c1ccc(C#N)c([O-])c1 ZINC000801548573 626409276 /nfs/dbraw/zinc/40/92/76/626409276.db2.gz YADMKARGYAFVHN-UHFFFAOYSA-N -1 1 324.380 3.412 20 30 DGEDMM CCCCCCCCCC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801700068 626415466 /nfs/dbraw/zinc/41/54/66/626415466.db2.gz FUJUERHNBSBCSB-UHFFFAOYSA-N -1 1 302.422 3.421 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cccc(-n2ccnn2)c1 ZINC000806576150 626723618 /nfs/dbraw/zinc/72/36/18/626723618.db2.gz VUBOBBAQJNNUME-GQCTYLIASA-N -1 1 309.300 3.008 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(O)c3ccccc23)c1 ZINC000809568675 626920591 /nfs/dbraw/zinc/92/05/91/626920591.db2.gz VGAVUALWCQVMKR-UHFFFAOYSA-N -1 1 304.305 3.375 20 30 DGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1F ZINC000809599137 626924460 /nfs/dbraw/zinc/92/44/60/626924460.db2.gz PZBARSWNEAPQTP-SECBINFHSA-N -1 1 302.280 3.033 20 30 DGEDMM C#CCC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000886658936 627182572 /nfs/dbraw/zinc/18/25/72/627182572.db2.gz WJJNKZDYMYDHBH-UHFFFAOYSA-N -1 1 305.805 3.431 20 30 DGEDMM Cn1cc(/C=C2/CCc3cc([O-])ccc3C2=O)c(C(F)F)n1 ZINC000812241334 627363990 /nfs/dbraw/zinc/36/39/90/627363990.db2.gz GRMBQMJBRBQNSA-POHAHGRESA-N -1 1 304.296 3.276 20 30 DGEDMM N#Cc1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000814347290 627560190 /nfs/dbraw/zinc/56/01/90/627560190.db2.gz KKOISYWTWFTEHK-UHFFFAOYSA-N -1 1 302.359 3.303 20 30 DGEDMM CC[C@H](Nc1cnn(CC(F)F)c1)c1cccc(C#N)c1[O-] ZINC000925909798 627816500 /nfs/dbraw/zinc/81/65/00/627816500.db2.gz MBQOQUZUDZSUCO-ZDUSSCGKSA-N -1 1 306.316 3.289 20 30 DGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCCC2(C)C)o1 ZINC000820108697 628226523 /nfs/dbraw/zinc/22/65/23/628226523.db2.gz OMJVMGICEBGGNG-UHFFFAOYSA-N -1 1 317.397 3.031 20 30 DGEDMM CC[C@@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820972560 628321520 /nfs/dbraw/zinc/32/15/20/628321520.db2.gz PIABIHVJNRRGEB-SECBINFHSA-N -1 1 317.397 3.130 20 30 DGEDMM CC[C@@H]1CCCC1N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000820971998 628321608 /nfs/dbraw/zinc/32/16/08/628321608.db2.gz JHQRRRKUSFRFDT-SNVBAGLBSA-N -1 1 317.397 3.031 20 30 DGEDMM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822204385 628428914 /nfs/dbraw/zinc/42/89/14/628428914.db2.gz NHWJXWDETFIPOD-UTCJRWHESA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822274534 628434814 /nfs/dbraw/zinc/43/48/14/628434814.db2.gz ACIIQIMFCJLCLC-FLIBITNWSA-N -1 1 308.366 3.059 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC000822921933 628509391 /nfs/dbraw/zinc/50/93/91/628509391.db2.gz APJGGIGOLXWSFO-FNORWQNLSA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc(F)ccc1F ZINC000822922310 628509657 /nfs/dbraw/zinc/50/96/57/628509657.db2.gz FMGQVLZDRZYPPB-DJWKRKHSSA-N -1 1 318.308 3.103 20 30 DGEDMM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823958146 628613466 /nfs/dbraw/zinc/61/34/66/628613466.db2.gz FCQNNGZSOPVXEE-UHFFFAOYSA-N -1 1 312.402 3.381 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCC[C@@H]2C)o1 ZINC000824352496 628654039 /nfs/dbraw/zinc/65/40/39/628654039.db2.gz FYNVTGZNMGTSQK-QWRGUYRKSA-N -1 1 317.397 3.202 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC[C@@H](C)C2)o1 ZINC000824927589 628708076 /nfs/dbraw/zinc/70/80/76/628708076.db2.gz PTPGMOSYPKCGCL-MNOVXSKESA-N -1 1 317.397 3.202 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000826052915 628823194 /nfs/dbraw/zinc/82/31/94/628823194.db2.gz HEIAXWNPZIQXEV-SJKOYZFVSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826285434 628838785 /nfs/dbraw/zinc/83/87/85/628838785.db2.gz ZSVAMDCXMHNSSM-WAYWQWQTSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826285434 628838789 /nfs/dbraw/zinc/83/87/89/628838789.db2.gz ZSVAMDCXMHNSSM-WAYWQWQTSA-N -1 1 310.382 3.441 20 30 DGEDMM C[C@@H](NN=Cc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000834995342 629817764 /nfs/dbraw/zinc/81/77/64/629817764.db2.gz BQGBHPBDEIWFPR-ZCFIWIBFSA-N -1 1 311.101 3.029 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000836974473 630195177 /nfs/dbraw/zinc/19/51/77/630195177.db2.gz XQZDJWCDQYKSGG-SECBINFHSA-N -1 1 305.246 3.419 20 30 DGEDMM [O-]c1cccc(C=NOCCC(F)(F)F)c1Br ZINC000841634753 630450068 /nfs/dbraw/zinc/45/00/68/630450068.db2.gz UEBDXHWIVIOLET-UHFFFAOYSA-N -1 1 312.085 3.458 20 30 DGEDMM C#CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000843998352 630706172 /nfs/dbraw/zinc/70/61/72/630706172.db2.gz AUKYEJGJKKQOMJ-NSHDSACASA-N -1 1 311.303 3.287 20 30 DGEDMM CSCCON=C(C)c1ccc([O-])c(Br)c1 ZINC000844593960 630741719 /nfs/dbraw/zinc/74/17/19/630741719.db2.gz KSZXZOWLMOZYQB-UHFFFAOYSA-N -1 1 304.209 3.258 20 30 DGEDMM C#C[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000848276489 631637798 /nfs/dbraw/zinc/63/77/98/631637798.db2.gz DBFUPGNNKASPMM-NSHDSACASA-N -1 1 314.772 3.079 20 30 DGEDMM CCc1nc2ccccc2n1N=Cc1c(F)ccc([O-])c1F ZINC000794490410 661087181 /nfs/dbraw/zinc/08/71/81/661087181.db2.gz RUJKKYBKUGPQCP-UHFFFAOYSA-N -1 1 301.296 3.465 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(F)ccc(O)c2F)c1 ZINC000794941223 661115196 /nfs/dbraw/zinc/11/51/96/661115196.db2.gz KXNMVKQNWRNXPB-ZZXKWVIFSA-N -1 1 306.264 3.281 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1c(Cl)nc2ccccn12 ZINC000255360251 655707647 /nfs/dbraw/zinc/70/76/47/655707647.db2.gz AZMSOHINDHTDSE-MDWZMJQESA-N -1 1 312.712 3.310 20 30 DGEDMM CCOC(=O)c1ccc(/C=C\C(=O)c2cc(OC)ccc2[O-])o1 ZINC000255499575 655773451 /nfs/dbraw/zinc/77/34/51/655773451.db2.gz ZDILPWOKCMBOAP-DAXSKMNVSA-N -1 1 316.309 3.067 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2nccn2CC(F)(F)F)c1 ZINC000255540177 655793021 /nfs/dbraw/zinc/79/30/21/655793021.db2.gz MFSYNFQAYGMKTG-PLNGDYQASA-N -1 1 310.275 3.356 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cccc2c1OCCCO2 ZINC000053106382 655923544 /nfs/dbraw/zinc/92/35/44/655923544.db2.gz MHFGYLGNVXEOJY-CXUHLZMHSA-N -1 1 310.305 3.170 20 30 DGEDMM C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(C(=O)[O-])c1 ZINC000262929517 658070600 /nfs/dbraw/zinc/07/06/00/658070600.db2.gz ABVSLWPAHQUHCK-UHFFFAOYSA-N -1 1 315.369 3.048 20 30 DGEDMM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(C)C ZINC000305902474 658082127 /nfs/dbraw/zinc/08/21/27/658082127.db2.gz CLDIDENYMXDZOA-VIFPVBQESA-N -1 1 324.204 3.069 20 30 DGEDMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(C#N)CCC1 ZINC000930794530 661430756 /nfs/dbraw/zinc/43/07/56/661430756.db2.gz LZKOSDMGQMYSKS-UHFFFAOYSA-N -1 1 314.719 3.003 20 30 DGEDMM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000194680009 662171214 /nfs/dbraw/zinc/17/12/14/662171214.db2.gz WAYMSVIPWIBDIW-NSHDSACASA-N -1 1 319.773 3.066 20 30 DGEDMM C=CCCC(C)(C)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001588578156 1192451598 /nfs/dbraw/zinc/45/15/98/1192451598.db2.gz XNGUHLXBGYSGDE-UHFFFAOYSA-N -1 1 306.801 3.319 20 30 DGEDMM C=CCCC(C)(C)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001588578156 1192451601 /nfs/dbraw/zinc/45/16/01/1192451601.db2.gz XNGUHLXBGYSGDE-UHFFFAOYSA-N -1 1 306.801 3.319 20 30 DGEDMM N#CCc1cccc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC001588722722 1192452421 /nfs/dbraw/zinc/45/24/21/1192452421.db2.gz PUNKPJHIDBAVQR-UHFFFAOYSA-N -1 1 303.321 3.259 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)CC[C@@H]2C)o1 ZINC001590228645 1192494905 /nfs/dbraw/zinc/49/49/05/1192494905.db2.gz ZBQIKAISQURNIB-ZJUUUORDSA-N -1 1 317.397 3.202 20 30 DGEDMM CCCCCCCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590592488 1192528893 /nfs/dbraw/zinc/52/88/93/1192528893.db2.gz USOZZXJHFMUSHC-UHFFFAOYSA-N -1 1 307.423 3.019 20 30 DGEDMM N#Cc1c(CN[C@@H](c2ccccc2)C2CC2)cccc1C(=O)[O-] ZINC001601082752 1192916257 /nfs/dbraw/zinc/91/62/57/1192916257.db2.gz YVXIBWUCAFHWLC-SFHVURJKSA-N -1 1 306.365 3.497 20 30 DGEDMM Cn1ccnc1C(C#N)=C([O-])c1csc(C2CCCCC2)n1 ZINC001342165395 1179112483 /nfs/dbraw/zinc/11/24/83/1179112483.db2.gz LHUDTNPSRRAFMN-LBPRGKRZSA-N -1 1 314.414 3.414 20 30 DGEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(CC)C(C)C ZINC001342278163 1179126621 /nfs/dbraw/zinc/12/66/21/1179126621.db2.gz DMTMOFIYGCDWOH-UHFFFAOYSA-N -1 1 321.812 3.120 20 30 DGEDMM C=C(Cl)CN[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001602791215 1192997938 /nfs/dbraw/zinc/99/79/38/1192997938.db2.gz DQYGNMXZZPRNRE-GFCCVEGCSA-N -1 1 318.598 3.091 20 30 DGEDMM C=C[C@H](C(=O)[O-])N(C)Cc1cc(Br)ccc1Cl ZINC001602804812 1192998285 /nfs/dbraw/zinc/99/82/85/1192998285.db2.gz SRGKEXFDCIPNAI-LLVKDONJSA-N -1 1 318.598 3.174 20 30 DGEDMM C=CC[C@H](Sc1nc(-c2ccc(CC)cc2)n[nH]1)C(=O)[O-] ZINC001602850111 1193000015 /nfs/dbraw/zinc/00/00/15/1193000015.db2.gz TVOXNBSCFKHCPH-LBPRGKRZSA-N -1 1 303.387 3.156 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC(C(C)C)C(C)C)o1 ZINC001603407363 1193017002 /nfs/dbraw/zinc/01/70/02/1193017002.db2.gz UUSBHZBVZYQAAR-UHFFFAOYSA-N -1 1 319.413 3.304 20 30 DGEDMM C=CCN(CCc1ccccc1)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001603422592 1193017946 /nfs/dbraw/zinc/01/79/46/1193017946.db2.gz UZPNHQCNCOBAIG-UHFFFAOYSA-N -1 1 323.392 3.384 20 30 DGEDMM CCCCCCCCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001604175892 1193057926 /nfs/dbraw/zinc/05/79/26/1193057926.db2.gz MZFVEZKYNRTCAD-UHFFFAOYSA-N -1 1 317.441 3.152 20 30 DGEDMM CCCCCCCCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001604175892 1193057929 /nfs/dbraw/zinc/05/79/29/1193057929.db2.gz MZFVEZKYNRTCAD-UHFFFAOYSA-N -1 1 317.441 3.152 20 30 DGEDMM C#CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001545886248 1181775102 /nfs/dbraw/zinc/77/51/02/1181775102.db2.gz VVXHWHXUCKIHRF-INIZCTEOSA-N -1 1 313.784 3.469 20 30 DGEDMM CCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])cc1F ZINC001442185992 1182077289 /nfs/dbraw/zinc/07/72/89/1182077289.db2.gz UNPWTWWOPLFFQC-UHFFFAOYSA-N -1 1 300.289 3.054 20 30 DGEDMM CCCc1nc(C)cc(OCc2cccc(C#N)c2)c1C(=O)[O-] ZINC001605379443 1193145968 /nfs/dbraw/zinc/14/59/68/1193145968.db2.gz URNPMEATMVWVCI-UHFFFAOYSA-N -1 1 310.353 3.491 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)cc1[O-] ZINC001454349445 1182338716 /nfs/dbraw/zinc/33/87/16/1182338716.db2.gz XIGRPTJOUIEWEG-HNNXBMFYSA-N -1 1 312.756 3.335 20 30 DGEDMM C=CCOc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC001457714280 1182477637 /nfs/dbraw/zinc/47/76/37/1182477637.db2.gz HUUDRBSPMORHGF-UHFFFAOYSA-N -1 1 301.317 3.277 20 30 DGEDMM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001464211172 1183077877 /nfs/dbraw/zinc/07/78/77/1183077877.db2.gz KXVDPEDDORISIV-UHFFFAOYSA-N -1 1 321.364 3.375 20 30 DGEDMM COc1ncc(NC(=O)c2cc([O-])c3ccccc3c2)cc1C#N ZINC001471782139 1183588660 /nfs/dbraw/zinc/58/86/60/1183588660.db2.gz YGQAETOKMQHZON-UHFFFAOYSA-N -1 1 319.320 3.073 20 30 DGEDMM N#CC(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nccc2ccccc21 ZINC001608170690 1193280051 /nfs/dbraw/zinc/28/00/51/1193280051.db2.gz XHEVPERJBUDKRL-LZWOXQAQSA-N -1 1 322.364 3.302 20 30 DGEDMM N#Cc1c(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)cccc1C(=O)[O-] ZINC001608192124 1193282233 /nfs/dbraw/zinc/28/22/33/1193282233.db2.gz UQJPTOLMOMLGKA-UZLBHIALSA-N -1 1 318.376 3.030 20 30 DGEDMM CCc1cccc(C)c1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC001609253130 1193333222 /nfs/dbraw/zinc/33/32/22/1193333222.db2.gz QRDSYDRPSWFTIB-UHFFFAOYSA-N -1 1 312.402 3.245 20 30 DGEDMM C[C@@H](CN(Cc1ccccc1)Cc1ccccc1C#N)C(=O)[O-] ZINC001609742506 1193353630 /nfs/dbraw/zinc/35/36/30/1193353630.db2.gz RYRLTEQGELAWAU-HNNXBMFYSA-N -1 1 308.381 3.281 20 30 DGEDMM Cc1ccc(-c2ccc(CN3CCC(C#N)(C(=O)[O-])CC3)o2)cc1 ZINC001610480489 1193391675 /nfs/dbraw/zinc/39/16/75/1193391675.db2.gz FTUINBVTFMDXRZ-UHFFFAOYSA-N -1 1 324.380 3.445 20 30 DGEDMM N#Cc1c(CN2CCC(c3ccccn3)CC2)cccc1C(=O)[O-] ZINC001610622624 1193401224 /nfs/dbraw/zinc/40/12/24/1193401224.db2.gz ADSLSDPZHFBFGQ-UHFFFAOYSA-N -1 1 321.380 3.031 20 30 DGEDMM N#Cc1sccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001610910285 1193416452 /nfs/dbraw/zinc/41/64/52/1193416452.db2.gz FCQQXKYTKOFMDF-UHFFFAOYSA-N -1 1 323.171 3.340 20 30 DGEDMM N#Cc1ccc2c(c1)N(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC001610938312 1193416922 /nfs/dbraw/zinc/41/69/22/1193416922.db2.gz NMXPJZIQMWBIFY-UHFFFAOYSA-N -1 1 312.756 3.049 20 30 DGEDMM CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001543552724 1188341657 /nfs/dbraw/zinc/34/16/57/1188341657.db2.gz JQMLPIIZXMQTLO-UHFFFAOYSA-N -1 1 314.772 3.118 20 30 DGEDMM C#CCCOc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001556592550 1189008056 /nfs/dbraw/zinc/00/80/56/1189008056.db2.gz RYGDTHHBYPESAK-UHFFFAOYSA-N -1 1 317.291 3.325 20 30 DGEDMM C=CCN(Cc1cccs1)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001623858681 1193969514 /nfs/dbraw/zinc/96/95/14/1193969514.db2.gz LRGSMNMIGFGYEB-UHFFFAOYSA-N -1 1 315.394 3.403 20 30 DGEDMM C#C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(Cl)cc1F ZINC001636312353 1194606187 /nfs/dbraw/zinc/60/61/87/1194606187.db2.gz OBRLDHQLUUPNTB-AWEZNQCLSA-N -1 1 321.710 3.428 20 30 DGEDMM C=CCSCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001638410920 1194716966 /nfs/dbraw/zinc/71/69/66/1194716966.db2.gz GOJDJCCBHPUVQT-UHFFFAOYSA-N -1 1 305.321 3.060 20 30 DGEDMM N#CC[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001638528024 1194723016 /nfs/dbraw/zinc/72/30/16/1194723016.db2.gz IZQWQOZRQDJSNZ-LLVKDONJSA-N -1 1 302.280 3.306 20 30 DGEDMM O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC001641532359 1194859193 /nfs/dbraw/zinc/85/91/93/1194859193.db2.gz SCPKBEZWSFIYIN-RMKNXTFCSA-N -1 1 319.719 3.406 20 30 DGEDMM C[C@@H](Oc1ccccn1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001641878013 1194876580 /nfs/dbraw/zinc/87/65/80/1194876580.db2.gz POXSRCRWCDMLSI-CQSZACIVSA-N -1 1 322.364 3.420 20 30 DGEDMM C[C@H](CCc1cccc(F)c1)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001648729385 1195326117 /nfs/dbraw/zinc/32/61/17/1195326117.db2.gz LDUGYLNAWWHQLN-CYBMUJFWSA-N -1 1 312.344 3.376 20 30 DGEDMM CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000071140206 1195932316 /nfs/dbraw/zinc/93/23/16/1195932316.db2.gz WSHVDXKGXFBVKU-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001662512723 1196727052 /nfs/dbraw/zinc/72/70/52/1196727052.db2.gz WMJOWBWDPCPQOP-OLZOCXBDSA-N -1 1 310.419 3.036 20 30 DGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000081300222 1197197607 /nfs/dbraw/zinc/19/76/07/1197197607.db2.gz PVUNQSGBBNMZAR-UHFFFAOYSA-N -1 1 324.764 3.346 20 30 DGEDMM CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(C)(C)C ZINC001667261974 1197333662 /nfs/dbraw/zinc/33/36/62/1197333662.db2.gz WLCUDROISHFHLV-CYBMUJFWSA-N -1 1 312.435 3.425 20 30 DGEDMM C=C(C)c1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001573294549 946992276 /nfs/dbraw/zinc/99/22/76/946992276.db2.gz HLCWCLGTZNNHDX-UHFFFAOYSA-N -1 1 311.370 3.214 20 30 DGEDMM C#C[C@H](C)NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001588369057 983310413 /nfs/dbraw/zinc/31/04/13/983310413.db2.gz YZWLFOMDLWFQGQ-AWEZNQCLSA-N -1 1 309.365 3.075 20 30 DGEDMM C=C(CC)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588605584 983693519 /nfs/dbraw/zinc/69/35/19/983693519.db2.gz HJMSGKFTDAHANM-MRXNPFEDSA-N -1 1 322.836 3.050 20 30 DGEDMM CCc1cccnc1C(C)=NNc1cccc(F)c1C(=O)[O-] ZINC001597622581 988562134 /nfs/dbraw/zinc/56/21/34/988562134.db2.gz XZNRSYBNRZIVNN-UHFFFAOYSA-N -1 1 301.321 3.317 20 30 DGEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1F ZINC001593189063 994107740 /nfs/dbraw/zinc/10/77/40/994107740.db2.gz DAIKXRUGACCYBA-HWPZZCPQSA-N -1 1 316.307 3.313 20 30 DGEDMM COc1cc(C#N)ccc1CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599348224 998048080 /nfs/dbraw/zinc/04/80/80/998048080.db2.gz UYGQNQDOSGYKGU-GOSISDBHSA-N -1 1 324.380 3.099 20 30 DGEDMM CC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000040365174 1081891578 /nfs/dbraw/zinc/89/15/78/1081891578.db2.gz APGKLXODKVPVGQ-SECBINFHSA-N -1 1 313.231 3.025 20 30 DGEDMM Cc1nc([N-]c2cnc(Br)s2)c(C#N)cc1C#N ZINC001216263823 1082445311 /nfs/dbraw/zinc/44/53/11/1082445311.db2.gz NIWYPOQAKLRJGZ-UHFFFAOYSA-N -1 1 320.175 3.096 20 30 DGEDMM COCCOc1ccccc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000588535123 1082573080 /nfs/dbraw/zinc/57/30/80/1082573080.db2.gz NUXOEEBQPYCQMD-GDNBJRDFSA-N -1 1 310.349 3.240 20 30 DGEDMM Nc1cc(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)ccn1 ZINC001167616451 1082608745 /nfs/dbraw/zinc/60/87/45/1082608745.db2.gz IQGFWVWUTZQUKH-ODCIPOBUSA-N -1 1 310.279 3.103 20 30 DGEDMM N#Cc1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)c([O-])c1 ZINC001182889852 1083831555 /nfs/dbraw/zinc/83/15/55/1083831555.db2.gz 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[O-]/N=C(\O[C@H]1CCCC2(C1)OCCO2)c1ccc(Cl)cc1 ZINC001223593914 1096010990 /nfs/dbraw/zinc/01/09/90/1096010990.db2.gz QEFHXNHROPQNBY-FSLWVPIDSA-N -1 1 311.765 3.178 20 30 DGEDMM [O-]/N=C(\OC1CN(Cc2ccccc2)C1)c1cc(F)ccc1F ZINC001223888427 1096086024 /nfs/dbraw/zinc/08/60/24/1096086024.db2.gz JTQNLXIBZGJPDD-JZJYNLBNSA-N -1 1 318.323 3.002 20 30 DGEDMM COC(=O)[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ccccc1 ZINC001223889174 1096087384 /nfs/dbraw/zinc/08/73/84/1096087384.db2.gz ZOCRVTVYUSJKSU-SQQITKIUSA-N -1 1 321.279 3.032 20 30 DGEDMM CCC[C@@H](CC(=O)OCC)O/C(=N\[O-])c1cc(F)ccc1F ZINC001223889586 1096088448 /nfs/dbraw/zinc/08/84/48/1096088448.db2.gz GJXDJMPOEHLHGY-KLIGIEKFSA-N -1 1 315.316 3.239 20 30 DGEDMM CCCCCCCC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001146996068 1096145921 /nfs/dbraw/zinc/14/59/21/1096145921.db2.gz PFBDDOSQMVFJAD-UHFFFAOYSA-N -1 1 317.393 3.078 20 30 DGEDMM COc1cccc(C(=O)Nc2c(C#N)oc3ccccc32)c1[O-] ZINC001148197450 1096320132 /nfs/dbraw/zinc/32/01/32/1096320132.db2.gz 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N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000618893394 400711497 /nfs/dbraw/zinc/71/14/97/400711497.db2.gz RRHBOSKDECWFKW-CQSZACIVSA-N -1 1 310.328 3.033 20 30 DGEDMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc([O-])cc(C#N)c1 ZINC000598472628 400820956 /nfs/dbraw/zinc/82/09/56/400820956.db2.gz XTFYSNOYFYVQAF-HNNXBMFYSA-N -1 1 306.365 3.066 20 30 DGEDMM CN(Cc1ccccc1Cl)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293473 400872091 /nfs/dbraw/zinc/87/20/91/400872091.db2.gz UKZJINFNSQYURL-UHFFFAOYSA-N -1 1 300.745 3.189 20 30 DGEDMM CCS[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614370913 400888137 /nfs/dbraw/zinc/88/81/37/400888137.db2.gz JCIPZXMGJRUMKX-HIFRSBDPSA-N -1 1 304.415 3.058 20 30 DGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1C2CC3CC(C2)CC1C3 ZINC000614363146 400885336 /nfs/dbraw/zinc/88/53/36/400885336.db2.gz IFOIERPYOKVEHA-UHFFFAOYSA-N -1 1 310.397 3.161 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000619423384 400843509 /nfs/dbraw/zinc/84/35/09/400843509.db2.gz LSZYWCFOMIRKEH-PBHICJAKSA-N -1 1 324.355 3.469 20 30 DGEDMM Cc1ccc(C[C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000614367337 400886173 /nfs/dbraw/zinc/88/61/73/400886173.db2.gz DPVVXVYIOVJTOR-AWEZNQCLSA-N -1 1 308.381 3.242 20 30 DGEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461327 400851534 /nfs/dbraw/zinc/85/15/34/400851534.db2.gz LUBCGXUDRQCGPO-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461291 400851753 /nfs/dbraw/zinc/85/17/53/400851753.db2.gz HTBBNLWAUAGZRG-UHFFFAOYSA-N -1 1 300.383 3.116 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000619555354 400865684 /nfs/dbraw/zinc/86/56/84/400865684.db2.gz UBFWZHYGKWKWDG-JKSUJKDBSA-N -1 1 312.756 3.203 20 30 DGEDMM CC[C@]1(C)Oc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2O1 ZINC000615486621 401090963 /nfs/dbraw/zinc/09/09/63/401090963.db2.gz VHCMNUWKXNPODA-GOSISDBHSA-N -1 1 324.336 3.414 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(F)c1 ZINC000088547177 401203486 /nfs/dbraw/zinc/20/34/86/401203486.db2.gz IYFPDOYOPPWTJM-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1coc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc12 ZINC000187079446 165075158 /nfs/dbraw/zinc/07/51/58/165075158.db2.gz APTAKSOKMPHYOM-UHFFFAOYSA-N -1 1 312.350 3.414 20 30 DGEDMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000169251902 228267125 /nfs/dbraw/zinc/26/71/25/228267125.db2.gz VGPXEXBKZDZQBM-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1[O-] ZINC000190000047 228498787 /nfs/dbraw/zinc/49/87/87/228498787.db2.gz BDQFKYKNJCUFMF-UHFFFAOYSA-N -1 1 306.365 3.116 20 30 DGEDMM Cc1c(=O)[n-]c(SCCOCCC#N)nc1-c1ccccc1 ZINC000292781556 228834687 /nfs/dbraw/zinc/83/46/87/228834687.db2.gz YNYFJTDVVLDAGC-UHFFFAOYSA-N -1 1 315.398 3.180 20 30 DGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000049487766 270003321 /nfs/dbraw/zinc/00/33/21/270003321.db2.gz IDXRDRNRFKMWPM-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000356803011 267391523 /nfs/dbraw/zinc/39/15/23/267391523.db2.gz JZVKGHYMIOGJCK-UHFFFAOYSA-N -1 1 323.377 3.216 20 30 DGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1[O-] ZINC000358783452 268036217 /nfs/dbraw/zinc/03/62/17/268036217.db2.gz WWKMJMOGQGKMMQ-LLVKDONJSA-N -1 1 308.328 3.209 20 30 DGEDMM Cc1ccc(-c2cc(NC(=O)c3cc([O-])cc(C#N)c3)n[nH]2)s1 ZINC000614298328 430577302 /nfs/dbraw/zinc/57/73/02/430577302.db2.gz KHFPRUIKCKXCNX-UHFFFAOYSA-N -1 1 324.365 3.276 20 30 DGEDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000070431843 431248993 /nfs/dbraw/zinc/24/89/93/431248993.db2.gz HLYXJSIVSNEASW-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000070431855 431250734 /nfs/dbraw/zinc/25/07/34/431250734.db2.gz VQQKZCKCKZNYGD-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM CSc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000007745910 431362739 /nfs/dbraw/zinc/36/27/39/431362739.db2.gz RLHPPSRVVVUSSM-UHFFFAOYSA-N -1 1 304.396 3.081 20 30 DGEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)on1 ZINC000012870017 431532148 /nfs/dbraw/zinc/53/21/48/431532148.db2.gz BLEZOVJZJYMPDP-UHFFFAOYSA-N -1 1 301.371 3.437 20 30 DGEDMM N#CCCN(Cc1ccco1)C(=O)c1ccc(Cl)cc1[O-] ZINC000120796330 431734385 /nfs/dbraw/zinc/73/43/85/431734385.db2.gz RPEHWYRPSDJIOC-UHFFFAOYSA-N -1 1 304.733 3.195 20 30 DGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1 ZINC000036714162 431841171 /nfs/dbraw/zinc/84/11/71/431841171.db2.gz MZUSWYVJFJFLIP-UHFFFAOYSA-N -1 1 324.184 3.479 20 30 DGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000051637880 431952531 /nfs/dbraw/zinc/95/25/31/431952531.db2.gz FJHNMWJVSRXJMV-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000174255649 432333145 /nfs/dbraw/zinc/33/31/45/432333145.db2.gz CNGZZFTXCNONNH-UHFFFAOYSA-N -1 1 315.398 3.181 20 30 DGEDMM C=C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000158656006 432653420 /nfs/dbraw/zinc/65/34/20/432653420.db2.gz USMORVKVLXONSO-SECBINFHSA-N -1 1 310.279 3.122 20 30 DGEDMM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188228575 432712435 /nfs/dbraw/zinc/71/24/35/432712435.db2.gz LGRAJIMJKBWFBZ-UHFFFAOYSA-N -1 1 308.381 3.323 20 30 DGEDMM C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000187726279 432680560 /nfs/dbraw/zinc/68/05/60/432680560.db2.gz DKXJPEXUBIYYAV-NSHDSACASA-N -1 1 324.409 3.049 20 30 DGEDMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188458046 432727065 /nfs/dbraw/zinc/72/70/65/432727065.db2.gz BWLUHVRWVJKUSB-BLLLJJGKSA-N -1 1 324.355 3.421 20 30 DGEDMM CC[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1cccc(C)c1 ZINC000188615737 432734939 /nfs/dbraw/zinc/73/49/39/432734939.db2.gz DIQBIRDDUXOUHL-INIZCTEOSA-N -1 1 324.380 3.160 20 30 DGEDMM CCCOC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCCC1 ZINC000188614627 432734958 /nfs/dbraw/zinc/73/49/58/432734958.db2.gz YKLILMCXAQJSDX-UHFFFAOYSA-N -1 1 316.401 3.123 20 30 DGEDMM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000235053692 432742667 /nfs/dbraw/zinc/74/26/67/432742667.db2.gz UOZXDLRPVCZSSG-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM C#CCO[C@@H](C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000296964147 432943737 /nfs/dbraw/zinc/94/37/37/432943737.db2.gz RHHWGGWAWJAXQB-VIFPVBQESA-N -1 1 322.748 3.205 20 30 DGEDMM Cc1sc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c(C#N)c1C ZINC000331667892 432957262 /nfs/dbraw/zinc/95/72/62/432957262.db2.gz UKXUPSPDUDGFBF-NSHDSACASA-N -1 1 317.370 3.328 20 30 DGEDMM C#CCCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000373234902 433140462 /nfs/dbraw/zinc/14/04/62/433140462.db2.gz OAIDHZDVKDXJEQ-UHFFFAOYSA-N -1 1 313.397 3.007 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)cc1[O-] ZINC000421953188 433818571 /nfs/dbraw/zinc/81/85/71/433818571.db2.gz FMFZNEJAABAPTH-JTQLQIEISA-N -1 1 312.291 3.068 20 30 DGEDMM CCN(CCOc1ccccc1C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000421978063 433830423 /nfs/dbraw/zinc/83/04/23/433830423.db2.gz XHGIBMVWOUHDHY-UHFFFAOYSA-N -1 1 324.380 3.113 20 30 DGEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000284695772 433902004 /nfs/dbraw/zinc/90/20/04/433902004.db2.gz HHOSOTOXXLHLFV-ZDUSSCGKSA-N -1 1 318.801 3.086 20 30 DGEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357464552 434029551 /nfs/dbraw/zinc/02/95/51/434029551.db2.gz GZYCUXFBRAXHQQ-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM Cn1cncc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000436699576 434071580 /nfs/dbraw/zinc/07/15/80/434071580.db2.gz VBUVMYBARHUPSH-VIFPVBQESA-N -1 1 316.773 3.173 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1 ZINC000416942260 434259472 /nfs/dbraw/zinc/25/94/72/434259472.db2.gz RMDFFRPBYMNSHJ-SECBINFHSA-N -1 1 307.202 3.346 20 30 DGEDMM CSc1cccc(F)c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000359102549 434412392 /nfs/dbraw/zinc/41/23/92/434412392.db2.gz ZDDOCHRDPSBKIY-UHFFFAOYSA-N -1 1 316.357 3.055 20 30 DGEDMM N#Cc1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445454905 434801792 /nfs/dbraw/zinc/80/17/92/434801792.db2.gz NAWAGQSRFXMHCD-UHFFFAOYSA-N -1 1 311.272 3.032 20 30 DGEDMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000343652978 297465892 /nfs/dbraw/zinc/46/58/92/297465892.db2.gz HGKGXXFTXPPZAK-CXAGYDPISA-N -1 1 306.365 3.487 20 30 DGEDMM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000574529547 434985733 /nfs/dbraw/zinc/98/57/33/434985733.db2.gz WJRATYFUJHBPAT-ZDUSSCGKSA-N -1 1 321.384 3.149 20 30 DGEDMM C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557821888 435069321 /nfs/dbraw/zinc/06/93/21/435069321.db2.gz YLFHAYALWRASSD-GFCCVEGCSA-N -1 1 310.419 3.179 20 30 DGEDMM N#Cc1ccc(OCCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000514635145 435427540 /nfs/dbraw/zinc/42/75/40/435427540.db2.gz KRDVJEWXYNANLV-UHFFFAOYSA-N -1 1 323.324 3.163 20 30 DGEDMM Cc1nc(SCc2cn3ccccc3c2C#N)[n-]c(=O)c1C ZINC000538516192 435504292 /nfs/dbraw/zinc/50/42/92/435504292.db2.gz OLYSIZCRXGIEAR-UHFFFAOYSA-N -1 1 310.382 3.216 20 30 DGEDMM N#Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)c(F)c1 ZINC000564391586 315173125 /nfs/dbraw/zinc/17/31/25/315173125.db2.gz GVTFDJQQZTWAJC-UHFFFAOYSA-N -1 1 311.288 3.423 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(SC)c1 ZINC000416967538 334687668 /nfs/dbraw/zinc/68/76/68/334687668.db2.gz XGVVZCQSXKWLAG-SECBINFHSA-N -1 1 304.824 3.106 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C ZINC000193362207 340576779 /nfs/dbraw/zinc/57/67/79/340576779.db2.gz GYGREXXPOWDVPN-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000442672895 534766475 /nfs/dbraw/zinc/76/64/75/534766475.db2.gz PNOYQYDSXNFDKK-KRWDZBQOSA-N -1 1 306.365 3.202 20 30 DGEDMM C=CCOc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000348530566 526948118 /nfs/dbraw/zinc/94/81/18/526948118.db2.gz IPBFZVSKLISYRA-UHFFFAOYSA-N -1 1 319.307 3.165 20 30 DGEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435443215 527138095 /nfs/dbraw/zinc/13/80/95/527138095.db2.gz MPRGIGPLGDFCHN-ZETCQYMHSA-N -1 1 312.193 3.375 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1cc(-c2ccccc2C)[nH]n1 ZINC000427756073 527245928 /nfs/dbraw/zinc/24/59/28/527245928.db2.gz JFNAUAWSZWALFD-UHFFFAOYSA-N -1 1 305.403 3.093 20 30 DGEDMM CC(=Cc1ccc(Cl)cc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435341249 527525652 /nfs/dbraw/zinc/52/56/52/527525652.db2.gz VCIOGPQWRSFOAC-VMPITWQZSA-N -1 1 303.724 3.303 20 30 DGEDMM CCc1nn(C)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000092693977 545849337 /nfs/dbraw/zinc/84/93/37/545849337.db2.gz JRYDZKVQRDBYCH-ZDUSSCGKSA-N -1 1 304.353 3.021 20 30 DGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000730996507 574541054 /nfs/dbraw/zinc/54/10/54/574541054.db2.gz UIKFYXFWWXHWEM-UHFFFAOYSA-N -1 1 321.785 3.153 20 30 DGEDMM C=CC[C@H](C)C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735409339 574701098 /nfs/dbraw/zinc/70/10/98/574701098.db2.gz CPQVTWMLFACTHG-VIFPVBQESA-N -1 1 317.397 3.152 20 30 DGEDMM [O-]c1ccc(C=NOCc2cccnc2)cc1Br ZINC000746588241 575463574 /nfs/dbraw/zinc/46/35/74/575463574.db2.gz ZUWHPHDCMLVORA-UHFFFAOYSA-N -1 1 307.147 3.100 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000748639393 575598900 /nfs/dbraw/zinc/59/89/00/575598900.db2.gz BMZYVMDNCCICJJ-UHFFFAOYSA-N -1 1 322.389 3.325 20 30 DGEDMM CC(C)(C)c1nc(C#N)c(N=NCc2cc(F)c([O-])c(F)c2)o1 ZINC000749855185 575683381 /nfs/dbraw/zinc/68/33/81/575683381.db2.gz GDIOANUNAIGNJJ-UHFFFAOYSA-N -1 1 320.299 3.274 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2cccnc2Cl)c(O)c1 ZINC000806559056 617630842 /nfs/dbraw/zinc/63/08/42/617630842.db2.gz SYBDNLWWCZDIKF-GQCTYLIASA-N -1 1 303.701 3.035 20 30 DGEDMM CC[C@H](NCc1csc(COC)n1)c1cccc(C#N)c1[O-] ZINC000926448459 618022534 /nfs/dbraw/zinc/02/25/34/618022534.db2.gz NKJWTIURRBVWRM-AWEZNQCLSA-N -1 1 317.414 3.108 20 30 DGEDMM C=CCC(C)(C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840577810 618136708 /nfs/dbraw/zinc/13/67/08/618136708.db2.gz OSQHQKUZNKNLGZ-UHFFFAOYSA-N -1 1 302.326 3.144 20 30 DGEDMM CC1(C)CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C#N ZINC000897576295 619162021 /nfs/dbraw/zinc/16/20/21/619162021.db2.gz HONGPKDQQRCNLV-INIZCTEOSA-N -1 1 324.380 3.405 20 30 DGEDMM C[C@H]1CO[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901378143 619492341 /nfs/dbraw/zinc/49/23/41/619492341.db2.gz DBCGTYNNGULWNW-PRHODGIISA-N -1 1 304.173 3.136 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000903691654 619799006 /nfs/dbraw/zinc/79/90/06/619799006.db2.gz CHJCHCSAZGAXKU-UHFFFAOYSA-N -1 1 321.393 3.185 20 30 DGEDMM C=CC1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])CC1 ZINC000903890607 619826050 /nfs/dbraw/zinc/82/60/50/619826050.db2.gz ALCJJMLWPKLALF-UHFFFAOYSA-N -1 1 303.280 3.395 20 30 DGEDMM CCCCCCN([O-])C(=O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC000904206839 619893595 /nfs/dbraw/zinc/89/35/95/619893595.db2.gz KNMRAAHUDDYCHI-UHFFFAOYSA-N -1 1 306.337 3.288 20 30 DGEDMM COc1cccc2cc(C(C)=NNc3nc(C)cc(=O)[n-]3)oc21 ZINC000916241430 620621756 /nfs/dbraw/zinc/62/17/56/620621756.db2.gz AQCMQEAQMDNUOU-UHFFFAOYSA-N -1 1 312.329 3.082 20 30 DGEDMM COc1ccc2cc(C=NNc3nc(C)cc(=O)[n-]3)ccc2c1 ZINC000916241761 620622506 /nfs/dbraw/zinc/62/25/06/620622506.db2.gz RSZSUJRRZDODEW-UHFFFAOYSA-N -1 1 308.341 3.098 20 30 DGEDMM C=CCCO[N-]C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000856028719 620955168 /nfs/dbraw/zinc/95/51/68/620955168.db2.gz ZYDXGSQTRNCPEF-UHFFFAOYSA-N -1 1 308.428 3.346 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cccc3)nc2)n1 ZINC000753390311 621438889 /nfs/dbraw/zinc/43/88/89/621438889.db2.gz MEQXOLLPKIVBQK-ZDUSSCGKSA-N -1 1 308.366 3.127 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(O)c(OC)c2)c1 ZINC000117895675 621465705 /nfs/dbraw/zinc/46/57/05/621465705.db2.gz OASANWSHLKGVCP-UTCJRWHESA-N -1 1 300.310 3.011 20 30 DGEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3cccc(Cl)c3)C2)n1 ZINC000753923064 621471589 /nfs/dbraw/zinc/47/15/89/621471589.db2.gz XBTBWNFZEXINGH-UHFFFAOYSA-N -1 1 302.765 3.490 20 30 DGEDMM CCc1nc(CN=Nc2ccccc2C(=O)[O-])c2ccccn21 ZINC000755600266 621580069 /nfs/dbraw/zinc/58/00/69/621580069.db2.gz HLKRVFWDWRVGJK-UHFFFAOYSA-N -1 1 308.341 3.041 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(F)cc1O ZINC000756898851 621670815 /nfs/dbraw/zinc/67/08/15/621670815.db2.gz DOAXYPPUECFANI-UHFFFAOYSA-N -1 1 318.304 3.074 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc(S(C)(=O)=O)cc2)c1 ZINC000757467528 621714072 /nfs/dbraw/zinc/71/40/72/621714072.db2.gz FUFVEELFLLAHTL-POHAHGRESA-N -1 1 316.378 3.000 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c1 ZINC000757468627 621714279 /nfs/dbraw/zinc/71/42/79/621714279.db2.gz SYHCHDVONOOSNW-VQHVLOKHSA-N -1 1 320.348 3.483 20 30 DGEDMM O=c1[n-]c(N=NC2CCc3ccccc3C2)nc2ccccc21 ZINC000757582741 621725940 /nfs/dbraw/zinc/72/59/40/621725940.db2.gz DYAGNPLVZLNVOP-UHFFFAOYSA-N -1 1 304.353 3.292 20 30 DGEDMM CCC(=NNc1nc2ccccc2[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000760223688 621922124 /nfs/dbraw/zinc/92/21/24/621922124.db2.gz JVLIDGBYSZHGKP-UHFFFAOYSA-N -1 1 308.341 3.487 20 30 DGEDMM O=C([O-])c1ccccc1N=NCc1cccc(-n2cccn2)c1 ZINC000760242378 621923666 /nfs/dbraw/zinc/92/36/66/621923666.db2.gz RWNUNSQGOSXYFK-UHFFFAOYSA-N -1 1 306.325 3.017 20 30 DGEDMM CCOc1cc(C(=O)N(CCC#N)CC(C)C)cc(Cl)c1[O-] ZINC000762584898 622084555 /nfs/dbraw/zinc/08/45/55/622084555.db2.gz NYUFWVJCDBUTQX-UHFFFAOYSA-N -1 1 324.808 3.456 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)cc3cccnc23)n1 ZINC000763105117 622123434 /nfs/dbraw/zinc/12/34/34/622123434.db2.gz NHGFVXZRLZJTAW-UHFFFAOYSA-N -1 1 313.748 3.138 20 30 DGEDMM CC(=NOCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000764839655 622225088 /nfs/dbraw/zinc/22/50/88/622225088.db2.gz LEQJCBMOBOYLFW-UHFFFAOYSA-N -1 1 312.085 3.458 20 30 DGEDMM Cc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)ccc1C#N ZINC000766490475 622333863 /nfs/dbraw/zinc/33/38/63/622333863.db2.gz KARUONZOHVUICN-UTCJRWHESA-N -1 1 307.305 3.167 20 30 DGEDMM CC(=NNC(=S)NCC1CCC1)c1ccc([O-])c(Cl)c1 ZINC000768769249 622475827 /nfs/dbraw/zinc/47/58/27/622475827.db2.gz UMYMVWVRBGPNGH-UHFFFAOYSA-N -1 1 311.838 3.034 20 30 DGEDMM CCn1nc(/C=C2\Oc3cc([O-])ccc3C2=O)c2ccccc21 ZINC000769742264 622556146 /nfs/dbraw/zinc/55/61/46/622556146.db2.gz KQMXNEFTCJYMNI-YVLHZVERSA-N -1 1 306.321 3.378 20 30 DGEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000770391059 622628941 /nfs/dbraw/zinc/62/89/41/622628941.db2.gz RVFMLERHAJHVNN-VIFPVBQESA-N -1 1 306.214 3.074 20 30 DGEDMM O=C(OCC#Cc1ccc(F)cc1)c1c([O-])cc(F)cc1F ZINC000771338179 622744322 /nfs/dbraw/zinc/74/43/22/622744322.db2.gz SGADECKOWTXUCQ-UHFFFAOYSA-N -1 1 306.239 3.018 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000771862727 622806094 /nfs/dbraw/zinc/80/60/94/622806094.db2.gz HFTXUCWQCNSHQK-UHFFFAOYSA-N -1 1 314.242 3.095 20 30 DGEDMM COc1ccc(CNN=Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790158021 625610004 /nfs/dbraw/zinc/61/00/04/625610004.db2.gz REIIDNFGQJIECR-UHFFFAOYSA-N -1 1 308.740 3.317 20 30 DGEDMM N#Cc1ccc(OCCCOC(=O)c2ccc([O-])cc2F)cc1 ZINC000773565438 623046144 /nfs/dbraw/zinc/04/61/44/623046144.db2.gz IGYYHTMYJRWJPV-UHFFFAOYSA-N -1 1 315.300 3.029 20 30 DGEDMM O=C(OCC#Cc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000773572612 623047083 /nfs/dbraw/zinc/04/70/83/623047083.db2.gz JNAJOEMLQJBAKW-UHFFFAOYSA-N -1 1 304.704 3.393 20 30 DGEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1nccs1 ZINC000774053105 623102736 /nfs/dbraw/zinc/10/27/36/623102736.db2.gz NUPUYBBYKICIHT-CYBMUJFWSA-N -1 1 321.361 3.257 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873495350 623159711 /nfs/dbraw/zinc/15/97/11/623159711.db2.gz KRLCUGJEFBKHPP-NSHDSACASA-N -1 1 315.354 3.467 20 30 DGEDMM COc1cccc(OC)c1/C=C1\Oc2cc([O-])cc(C)c2C1=O ZINC000776189941 623393254 /nfs/dbraw/zinc/39/32/54/623393254.db2.gz LXHVFNIQCTUSKH-SXGWCWSVSA-N -1 1 312.321 3.334 20 30 DGEDMM COc1cccc(OC)c1/C=C1/Oc2cc([O-])cc(C)c2C1=O ZINC000776189940 623393737 /nfs/dbraw/zinc/39/37/37/623393737.db2.gz LXHVFNIQCTUSKH-CXUHLZMHSA-N -1 1 312.321 3.334 20 30 DGEDMM O=C(/C=C/c1nc2c(s1)CCCC2)c1cc(O)ccc1[O-] ZINC000776264767 623403417 /nfs/dbraw/zinc/40/34/17/623403417.db2.gz IFXCIJAVIMKDFJ-BQYQJAHWSA-N -1 1 301.367 3.329 20 30 DGEDMM O=C([O-])c1ccc(CN=Nc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000783773628 624394428 /nfs/dbraw/zinc/39/44/28/624394428.db2.gz RBZFOXCKXIVEFE-UHFFFAOYSA-N -1 1 319.704 3.392 20 30 DGEDMM C=CCCC[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC000879705180 624645583 /nfs/dbraw/zinc/64/55/83/624645583.db2.gz MKVAJOCPFPXJFO-NVXWUHKLSA-N -1 1 303.402 3.211 20 30 DGEDMM C=C[C@](C)(CC)COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000786522530 624906508 /nfs/dbraw/zinc/90/65/08/624906508.db2.gz BKIPMGALGFIRPF-MRXNPFEDSA-N -1 1 324.446 3.291 20 30 DGEDMM Cc1cc(C(=O)/C=C\c2ccc([O-])c(Br)c2)no1 ZINC000791430792 625800484 /nfs/dbraw/zinc/80/04/84/625800484.db2.gz DQXCCWGAQHORSN-HYXAFXHYSA-N -1 1 308.131 3.347 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C\c2ccc(-n3cncn3)cc2)c([O-])c1 ZINC000799895047 626333989 /nfs/dbraw/zinc/33/39/89/626333989.db2.gz JNMHQZJZRYSQHN-YVMONPNESA-N -1 1 319.364 3.486 20 30 DGEDMM COC(=O)c1ccc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])o1 ZINC000799894879 626334047 /nfs/dbraw/zinc/33/40/47/626334047.db2.gz HPEPRODUQPHXJF-XQRVVYSFSA-N -1 1 300.310 3.285 20 30 DGEDMM Cc1cccc(-n2cc([O-])c(C(=O)OCCCCC#N)n2)c1C ZINC000801417438 626403517 /nfs/dbraw/zinc/40/35/17/626403517.db2.gz NVQOOUOFOBAAGD-UHFFFAOYSA-N -1 1 313.357 3.045 20 30 DGEDMM CCOc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)c1 ZINC000806558911 626721266 /nfs/dbraw/zinc/72/12/66/626721266.db2.gz PEBKVZANKSNCTK-TWGQIWQCSA-N -1 1 312.321 3.385 20 30 DGEDMM Cc1ccccc1-n1cc(/C=C2/Cc3cc([O-])ccc3C2=O)nn1 ZINC000806573160 626722549 /nfs/dbraw/zinc/72/25/49/626722549.db2.gz XIBMOXYBBJDAFZ-ZROIWOOFSA-N -1 1 317.348 3.104 20 30 DGEDMM Cc1cc([N+](=O)[O-])ccc1NN=Cc1c(F)ccc([O-])c1F ZINC000807990568 626783739 /nfs/dbraw/zinc/78/37/39/626783739.db2.gz IRXBXYYUZIWTRR-UHFFFAOYSA-N -1 1 307.256 3.333 20 30 DGEDMM C#C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000811949412 627339848 /nfs/dbraw/zinc/33/98/48/627339848.db2.gz WOTMIYULWRXYIT-CYBMUJFWSA-N -1 1 303.720 3.289 20 30 DGEDMM C#C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000812752594 627416866 /nfs/dbraw/zinc/41/68/66/627416866.db2.gz JMPZLIQRMRSAEN-CYBMUJFWSA-N -1 1 303.720 3.289 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCCC2CCC(F)(F)CC2)c1 ZINC000890060500 627500271 /nfs/dbraw/zinc/50/02/71/627500271.db2.gz XKEOPFBKUJMHSO-UHFFFAOYSA-N -1 1 308.328 3.209 20 30 DGEDMM CC(=NNc1nncc2ccccc21)c1csc(C(=O)[O-])c1 ZINC000814705932 627584506 /nfs/dbraw/zinc/58/45/06/627584506.db2.gz QLRHRWGKMUOUSX-UHFFFAOYSA-N -1 1 312.354 3.226 20 30 DGEDMM [O-]c1cccc(CN=Nc2ncnc3sccc32)c1Cl ZINC000814765444 627589157 /nfs/dbraw/zinc/58/91/57/627589157.db2.gz GNVOISUKQRJHTH-UHFFFAOYSA-N -1 1 304.762 3.496 20 30 DGEDMM CC(=NNc1nc2ccccc2n1C)c1csc(C(=O)[O-])c1 ZINC000814807117 627593422 /nfs/dbraw/zinc/59/34/22/627593422.db2.gz GMFNXDZODYTDAK-UHFFFAOYSA-N -1 1 314.370 3.169 20 30 DGEDMM O=C([O-])c1ccc2c(c1)CCCC2=NNc1ccncc1Cl ZINC000814870348 627600365 /nfs/dbraw/zinc/60/03/65/627600365.db2.gz YHCZLXIUSJZHNN-UHFFFAOYSA-N -1 1 315.760 3.008 20 30 DGEDMM N#CCCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000817319938 627882084 /nfs/dbraw/zinc/88/20/84/627882084.db2.gz USVJAFUWMIZWJS-NSHDSACASA-N -1 1 302.271 3.438 20 30 DGEDMM N#CCCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000817319933 627882220 /nfs/dbraw/zinc/88/22/20/627882220.db2.gz USVJAFUWMIZWJS-LLVKDONJSA-N -1 1 302.271 3.438 20 30 DGEDMM C=CCO[N-]C(=O)Cc1sc(SCC(=C)Cl)nc1C ZINC000819559320 628169563 /nfs/dbraw/zinc/16/95/63/628169563.db2.gz LCEKHLCGEWASMP-UHFFFAOYSA-N -1 1 318.851 3.072 20 30 DGEDMM CCC(F)(F)C(=O)[N-]CC#Cc1cccc(C(F)(F)F)c1 ZINC000820463476 628261728 /nfs/dbraw/zinc/26/17/28/628261728.db2.gz FHXIEQCJXUWAHQ-UHFFFAOYSA-N -1 1 305.246 3.218 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)C[C@H](C)CC(C)C)o1 ZINC000824390877 628657023 /nfs/dbraw/zinc/65/70/23/628657023.db2.gz FCDYGBWGGHXGPZ-SECBINFHSA-N -1 1 305.386 3.023 20 30 DGEDMM CC(N=Nc1cnnc2ccccc12)c1ccc(C(=O)[O-])cc1 ZINC000825809535 628800148 /nfs/dbraw/zinc/80/01/48/628800148.db2.gz YQHJNURQRCMOIK-UHFFFAOYSA-N -1 1 306.325 3.164 20 30 DGEDMM Cc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826316600 628845327 /nfs/dbraw/zinc/84/53/27/628845327.db2.gz SKYACOOEFNIXJI-NSCUHMNNSA-N -1 1 302.384 3.194 20 30 DGEDMM Cc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826316600 628845328 /nfs/dbraw/zinc/84/53/28/628845328.db2.gz SKYACOOEFNIXJI-NSCUHMNNSA-N -1 1 302.384 3.194 20 30 DGEDMM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400631 628851323 /nfs/dbraw/zinc/85/13/23/628851323.db2.gz CYOMBQLJIHGVHR-RQOWECAXSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400631 628851324 /nfs/dbraw/zinc/85/13/24/628851324.db2.gz CYOMBQLJIHGVHR-RQOWECAXSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400093 628851352 /nfs/dbraw/zinc/85/13/52/628851352.db2.gz OVEJLOLCZQTGDQ-UTCJRWHESA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400093 628851355 /nfs/dbraw/zinc/85/13/55/628851355.db2.gz OVEJLOLCZQTGDQ-UTCJRWHESA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826403131 628851543 /nfs/dbraw/zinc/85/15/43/628851543.db2.gz KQYQPMFANQRRFK-WAYWQWQTSA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826403131 628851545 /nfs/dbraw/zinc/85/15/45/628851545.db2.gz KQYQPMFANQRRFK-WAYWQWQTSA-N -1 1 316.773 3.478 20 30 DGEDMM C[C@@H]1c2ccccc2OCCN1[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828526807 629062676 /nfs/dbraw/zinc/06/26/76/629062676.db2.gz DPJZEBRIVJXWRX-ACJLOTCBSA-N -1 1 322.364 3.140 20 30 DGEDMM CC(=NNc1ccc(F)cc1F)c1ccccc1OCC(=O)[O-] ZINC000833387187 629597663 /nfs/dbraw/zinc/59/76/63/629597663.db2.gz SSEPHVROQQIGJB-UHFFFAOYSA-N -1 1 320.295 3.264 20 30 DGEDMM N#CCC[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000833969870 629663543 /nfs/dbraw/zinc/66/35/43/629663543.db2.gz YBZQHIWSXBAPSK-OAHLLOKOSA-N -1 1 310.357 3.306 20 30 DGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])C=C[C@@H]2CCOC2)s1 ZINC000835387879 629920650 /nfs/dbraw/zinc/92/06/50/629920650.db2.gz MNLBVPVLBZPPJH-XLMCQVRKSA-N -1 1 304.415 3.210 20 30 DGEDMM [O-]c1cccc(C=NNCCC(F)(F)F)c1Br ZINC000841636870 630450507 /nfs/dbraw/zinc/45/05/07/630450507.db2.gz PJSGIMDRQORELF-UHFFFAOYSA-N -1 1 311.101 3.031 20 30 DGEDMM C#CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000843998351 630706073 /nfs/dbraw/zinc/70/60/73/630706073.db2.gz AUKYEJGJKKQOMJ-LLVKDONJSA-N -1 1 311.303 3.287 20 30 DGEDMM COCCOc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1 ZINC000107099321 631529433 /nfs/dbraw/zinc/52/94/33/631529433.db2.gz CABNSNGQYVHXFE-YVLHZVERSA-N -1 1 312.321 3.034 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cnn(Cc2ccccc2)c1 ZINC000187224174 660971684 /nfs/dbraw/zinc/97/16/84/660971684.db2.gz KOZWBZGJPKNTKY-IUXPMGMMSA-N -1 1 316.360 3.459 20 30 DGEDMM C[C@@H](NN=Cc1cc(O)c([O-])c(Br)c1)C(C)(C)C ZINC000793111254 661005594 /nfs/dbraw/zinc/00/55/94/661005594.db2.gz FJUMEXKCUKEZJO-MRVPVSSYSA-N -1 1 315.211 3.218 20 30 DGEDMM CC[C@@H](C)CON=Cc1cc(O)c([O-])c(Br)c1 ZINC000793146685 661007552 /nfs/dbraw/zinc/00/75/52/661007552.db2.gz UKDXPKGSVUTQGT-MRVPVSSYSA-N -1 1 302.168 3.257 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3ccccc3s2)c(=O)o1 ZINC000254944600 655547203 /nfs/dbraw/zinc/54/72/03/655547203.db2.gz NRSMSINYGDLXAY-MWWKQMNYSA-N -1 1 312.346 3.130 20 30 DGEDMM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cnsn1 ZINC000120826351 655581177 /nfs/dbraw/zinc/58/11/77/655581177.db2.gz FRJAACZVRSKLNM-UHFFFAOYSA-N -1 1 312.379 3.391 20 30 DGEDMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C)cnc1Cl ZINC000934233292 655758046 /nfs/dbraw/zinc/75/80/46/655758046.db2.gz GBSPKOWBDHVGGY-JTQLQIEISA-N -1 1 315.751 3.190 20 30 DGEDMM CCN(CCC#N)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058206259 659065877 /nfs/dbraw/zinc/06/58/77/659065877.db2.gz NSKYJHSMNJBIAB-UHFFFAOYSA-N -1 1 307.467 3.257 20 30 DGEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000183111548 660102107 /nfs/dbraw/zinc/10/21/07/660102107.db2.gz NEVKMNMZGFASGJ-JTQLQIEISA-N -1 1 300.289 3.074 20 30 DGEDMM C=C(C)CN(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932041372 661532659 /nfs/dbraw/zinc/53/26/59/661532659.db2.gz BHMVTRRKSZNUCM-UHFFFAOYSA-N -1 1 300.362 3.008 20 30 DGEDMM Cc1cc(C)c(C#N)c([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC001587096664 1192368282 /nfs/dbraw/zinc/36/82/82/1192368282.db2.gz RTIXRJFEETWULL-UHFFFAOYSA-N -1 1 323.249 3.379 20 30 DGEDMM C=CCC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001588579941 1192451500 /nfs/dbraw/zinc/45/15/00/1192451500.db2.gz WBMYADCAYVSLED-CQSZACIVSA-N -1 1 321.388 3.085 20 30 DGEDMM C=CCC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588579941 1192451502 /nfs/dbraw/zinc/45/15/02/1192451502.db2.gz WBMYADCAYVSLED-CQSZACIVSA-N -1 1 321.388 3.085 20 30 DGEDMM CC(=NNc1c(C)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC001588777465 1192454204 /nfs/dbraw/zinc/45/42/04/1192454204.db2.gz YYYRZYRSHMWDDO-UHFFFAOYSA-N -1 1 316.365 3.212 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@H](C)[C@H](C)C2)o1 ZINC001589773969 1192472824 /nfs/dbraw/zinc/47/28/24/1192472824.db2.gz UHYCAOWHBVRUPZ-VHSXEESVSA-N -1 1 317.397 3.202 20 30 DGEDMM COc1ccc(-c2ccsc2-c2nnn[n-]2)cc1C1(C#N)CC1 ZINC001591555253 1192566053 /nfs/dbraw/zinc/56/60/53/1192566053.db2.gz BCBDTEDEAMTTNZ-UHFFFAOYSA-N -1 1 323.381 3.159 20 30 DGEDMM COc1ccc(-c2ccsc2-c2nn[n-]n2)cc1C1(C#N)CC1 ZINC001591555253 1192566056 /nfs/dbraw/zinc/56/60/56/1192566056.db2.gz BCBDTEDEAMTTNZ-UHFFFAOYSA-N -1 1 323.381 3.159 20 30 DGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000081298383 1197196657 /nfs/dbraw/zinc/19/66/57/1197196657.db2.gz OYLVZZRBKHCGTM-UHFFFAOYSA-N -1 1 306.774 3.207 20 30 DGEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000395262817 1176787540 /nfs/dbraw/zinc/78/75/40/1176787540.db2.gz JXGSPHXYJDQPCJ-JTQLQIEISA-N -1 1 312.243 3.135 20 30 DGEDMM N#CC1(C(=O)[O-])CCN(CCCc2c(F)cccc2Cl)CC1 ZINC001601053291 1192914435 /nfs/dbraw/zinc/91/44/35/1192914435.db2.gz TVRSZXHELDQGIY-UHFFFAOYSA-N -1 1 324.783 3.102 20 30 DGEDMM C=C(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCCC1 ZINC001342054703 1179096842 /nfs/dbraw/zinc/09/68/42/1179096842.db2.gz PSGJCKGRYHYCNL-UHFFFAOYSA-N -1 1 318.808 3.480 20 30 DGEDMM CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2cccc(F)n2)n1 ZINC001344061373 1179371507 /nfs/dbraw/zinc/37/15/07/1179371507.db2.gz DHKDSWNXQRAJKA-LLVKDONJSA-N -1 1 313.332 3.283 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1cnc(C(C)(C)C)s1 ZINC001344322231 1179412397 /nfs/dbraw/zinc/41/23/97/1179412397.db2.gz KECPMPVERICVCY-SNVBAGLBSA-N -1 1 302.403 3.147 20 30 DGEDMM O=C([O-])c1c(F)cccc1NN=Cc1nccn1-c1ccccc1 ZINC001602230002 1192963972 /nfs/dbraw/zinc/96/39/72/1192963972.db2.gz AHBPPRMIPOMIPD-UHFFFAOYSA-N -1 1 324.315 3.156 20 30 DGEDMM CCn1ccnc1C(C#N)=C([O-])c1sccc1Br ZINC001346096643 1179653442 /nfs/dbraw/zinc/65/34/42/1179653442.db2.gz RNPBDBHHKBSHIF-QMMMGPOBSA-N -1 1 324.203 3.217 20 30 DGEDMM O=C([O-])c1ccc(CN=Nc2cc(C(F)(F)F)ccc2F)[nH]1 ZINC001602331231 1192970179 /nfs/dbraw/zinc/97/01/79/1192970179.db2.gz VQAQXHQZVFJKSV-UHFFFAOYSA-N -1 1 315.226 3.317 20 30 DGEDMM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001346994943 1179767194 /nfs/dbraw/zinc/76/71/94/1179767194.db2.gz DLKXQEMHIUZIJG-LBPRGKRZSA-N -1 1 318.776 3.193 20 30 DGEDMM C=CC[C@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC001602835824 1192999150 /nfs/dbraw/zinc/99/91/50/1192999150.db2.gz AMGUUJUTPVWJEH-CYBMUJFWSA-N -1 1 300.185 3.381 20 30 DGEDMM C=C(C)CSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001602763685 1192996705 /nfs/dbraw/zinc/99/67/05/1192996705.db2.gz XTPDHASDKHLTSA-UHFFFAOYSA-N -1 1 315.324 3.257 20 30 DGEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1cnn(C(C)C)c1C ZINC001602992352 1193005168 /nfs/dbraw/zinc/00/51/68/1193005168.db2.gz UCCTVTLKBKGDIZ-UHFFFAOYSA-N -1 1 318.352 3.446 20 30 DGEDMM CC(C)C[C@@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001603259177 1193013067 /nfs/dbraw/zinc/01/30/67/1193013067.db2.gz BLWLWUHUEVIRQL-SNVBAGLBSA-N -1 1 305.386 3.058 20 30 DGEDMM CCCCCCCCCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001604176742 1193058709 /nfs/dbraw/zinc/05/87/09/1193058709.db2.gz XRUFGUKPASJWQC-UHFFFAOYSA-N -1 1 304.398 3.176 20 30 DGEDMM C[C@@H](Oc1ccc(CNCC2(C#N)CCCCC2)cc1)C(=O)[O-] ZINC001604429810 1193072333 /nfs/dbraw/zinc/07/23/33/1193072333.db2.gz GXYABKJYZOFVDU-CQSZACIVSA-N -1 1 316.401 3.102 20 30 DGEDMM C[C@@H](Oc1ccccc1CN(C)Cc1cccc(C#N)c1)C(=O)[O-] ZINC001604442226 1193072439 /nfs/dbraw/zinc/07/24/39/1193072439.db2.gz ANXIJKJVCSCHOZ-CQSZACIVSA-N -1 1 324.380 3.042 20 30 DGEDMM C#CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC001442750489 1182089481 /nfs/dbraw/zinc/08/94/81/1182089481.db2.gz DDZOZWXFQYZUPT-UHFFFAOYSA-N -1 1 305.805 3.383 20 30 DGEDMM C=C1CCC(C(=O)Nc2nc(Br)ccc2[O-])CC1 ZINC001467242642 1183249022 /nfs/dbraw/zinc/24/90/22/1183249022.db2.gz QTIJFJNXSZADAD-UHFFFAOYSA-N -1 1 311.179 3.235 20 30 DGEDMM C=CCC1(CNC(=O)c2cc(C)cc(C=O)c2[O-])CCCC1 ZINC001467991977 1183301327 /nfs/dbraw/zinc/30/13/27/1183301327.db2.gz NEIKBVSCJWAZIO-UHFFFAOYSA-N -1 1 301.386 3.379 20 30 DGEDMM C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC001469326744 1183400299 /nfs/dbraw/zinc/40/02/99/1183400299.db2.gz MWNIAOMXBPJXCL-UHFFFAOYSA-N -1 1 305.378 3.072 20 30 DGEDMM C=CCn1cc2ccc(NC(=O)c3c([O-])cccc3OC)cc2n1 ZINC001472038681 1183609959 /nfs/dbraw/zinc/60/99/59/1183609959.db2.gz XVYGDXNSVYAMIL-UHFFFAOYSA-N -1 1 323.352 3.189 20 30 DGEDMM C=CCCCCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609053378 1193322400 /nfs/dbraw/zinc/32/24/00/1193322400.db2.gz HMMWXEPAOVTSBF-UHFFFAOYSA-N -1 1 312.830 3.159 20 30 DGEDMM C=CCCCCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609053378 1193322403 /nfs/dbraw/zinc/32/24/03/1193322403.db2.gz HMMWXEPAOVTSBF-UHFFFAOYSA-N -1 1 312.830 3.159 20 30 DGEDMM CC(C)(NCc1cccc(C(=O)[O-])c1C#N)c1cccs1 ZINC001609680591 1193348842 /nfs/dbraw/zinc/34/88/42/1193348842.db2.gz ASCARDILUJMTQH-UHFFFAOYSA-N -1 1 300.383 3.343 20 30 DGEDMM Cc1ccc([C@H](NCc2ccc(C#N)cc2F)C(=O)[O-])cc1C ZINC001610495891 1193393075 /nfs/dbraw/zinc/39/30/75/1193393075.db2.gz URRMJSDFXNGVHF-KRWDZBQOSA-N -1 1 312.344 3.230 20 30 DGEDMM O=C(c1ncc(Cl)cn1)N([O-])Cc1cccc2ccccc21 ZINC001611662431 1193439148 /nfs/dbraw/zinc/43/91/48/1193439148.db2.gz HNXQQULVZWOPGE-UHFFFAOYSA-N -1 1 313.744 3.315 20 30 DGEDMM COc1ccc2cc(C([O-])=C(C#N)c3ccncn3)ccc2c1 ZINC001516766215 1186792750 /nfs/dbraw/zinc/79/27/50/1186792750.db2.gz GQUGVZBKCIYNTD-MRXNPFEDSA-N -1 1 303.321 3.128 20 30 DGEDMM N#Cc1cnc(NCc2cccc(Br)c2[O-])c(F)c1 ZINC001612345619 1193450607 /nfs/dbraw/zinc/45/06/07/1193450607.db2.gz SPXBTTOLMUEJPC-UHFFFAOYSA-N -1 1 322.137 3.173 20 30 DGEDMM Cc1nsc([N-]C(=O)c2ocnc2-c2ccccc2)c1C#N ZINC001530176886 1187610623 /nfs/dbraw/zinc/61/06/23/1187610623.db2.gz PWOBBBRNVYUWAL-UHFFFAOYSA-N -1 1 310.338 3.231 20 30 DGEDMM N#Cc1cnc(C(=O)[N-]c2c(F)cc(F)cc2F)c(Cl)c1 ZINC001539716376 1188199989 /nfs/dbraw/zinc/19/99/89/1188199989.db2.gz ABTOUJCQHIPCJX-UHFFFAOYSA-N -1 1 311.650 3.276 20 30 DGEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001542662208 1188302227 /nfs/dbraw/zinc/30/22/27/1188302227.db2.gz QFYLHFPYOQUNMW-JTQLQIEISA-N -1 1 300.280 3.079 20 30 DGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001544303961 1188387752 /nfs/dbraw/zinc/38/77/52/1188387752.db2.gz QHDNFQCQBUTTQZ-VIFPVBQESA-N -1 1 300.280 3.033 20 30 DGEDMM C=C(C)[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(F)c(F)c1 ZINC001556261682 1188992444 /nfs/dbraw/zinc/99/24/44/1188992444.db2.gz QXSNPFHNARDUKB-HNNXBMFYSA-N -1 1 318.323 3.421 20 30 DGEDMM C#C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001556729925 1189016398 /nfs/dbraw/zinc/01/63/98/1189016398.db2.gz AOIFDAFGLVKELD-HNNXBMFYSA-N -1 1 317.747 3.218 20 30 DGEDMM N#CCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001558757160 1189146627 /nfs/dbraw/zinc/14/66/27/1189146627.db2.gz RHALEZMYLNUQAQ-UHFFFAOYSA-N -1 1 300.745 3.042 20 30 DGEDMM N#Cc1ccc(C(=O)N2CC(c3ccc(Cl)cc3)C2)cc1[O-] ZINC001558983320 1189161338 /nfs/dbraw/zinc/16/13/38/1189161338.db2.gz XUNUJAVELTVBGZ-UHFFFAOYSA-N -1 1 312.756 3.157 20 30 DGEDMM N#Cc1ccc(C2(C(=O)Nc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001570464773 1190864851 /nfs/dbraw/zinc/86/48/51/1190864851.db2.gz 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CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427122134 433656099 /nfs/dbraw/zinc/65/60/99/433656099.db2.gz PHEYVTOCMRIHOV-UHFFFAOYSA-N -1 1 304.346 3.061 20 30 DGEDMM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1F ZINC000427308563 433691145 /nfs/dbraw/zinc/69/11/45/433691145.db2.gz OITIPHNVPDSXKI-UHFFFAOYSA-N -1 1 322.336 3.200 20 30 DGEDMM C=CCC(C)(C)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000293896492 433913690 /nfs/dbraw/zinc/91/36/90/433913690.db2.gz ZFCASLKVGDWMCN-UHFFFAOYSA-N -1 1 305.422 3.120 20 30 DGEDMM CCCCCCCCCNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287646289 434420914 /nfs/dbraw/zinc/42/09/14/434420914.db2.gz OVHLTFQWZFAZFC-QNGOZBTKSA-N -1 1 317.437 3.214 20 30 DGEDMM N#C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCCCC1 ZINC000450986959 434516398 /nfs/dbraw/zinc/51/63/98/434516398.db2.gz IZQAGLUAAIXBKH-LLVKDONJSA-N -1 1 318.851 3.152 20 30 DGEDMM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000450993075 434520597 /nfs/dbraw/zinc/52/05/97/434520597.db2.gz SXOSODSSBZEUOR-CABZTGNLSA-N -1 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C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H](C)C1CCCCC1 ZINC000557785397 314819880 /nfs/dbraw/zinc/81/98/80/314819880.db2.gz PCMFJGWQRXUBLE-VXGBXAGGSA-N -1 1 310.419 3.034 20 30 DGEDMM CCc1nc(SCc2cccc(C#N)c2F)[n-]c(=O)c1C ZINC000576957875 316187379 /nfs/dbraw/zinc/18/73/79/316187379.db2.gz VMDUEUUJGDLIFD-UHFFFAOYSA-N -1 1 303.362 3.356 20 30 DGEDMM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(CCC)cc(=O)[n-]1 ZINC000515178786 337981648 /nfs/dbraw/zinc/98/16/48/337981648.db2.gz IBVCWLLVUDGMAV-GFCCVEGCSA-N -1 1 323.462 3.040 20 30 DGEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3C)n2)cc1 ZINC000356679087 534200192 /nfs/dbraw/zinc/20/01/92/534200192.db2.gz IGDIDFKKTMVQBN-CYBMUJFWSA-N -1 1 322.393 3.342 20 30 DGEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473860297 534352857 /nfs/dbraw/zinc/35/28/57/534352857.db2.gz RNWHDAFQCTVSIC-ZETCQYMHSA-N -1 1 312.193 3.375 20 30 DGEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000340931701 527414588 /nfs/dbraw/zinc/41/45/88/527414588.db2.gz WKLUQZXSMRZVPM-SSDOTTSWSA-N -1 1 313.728 3.212 20 30 DGEDMM CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000189179470 527702084 /nfs/dbraw/zinc/70/20/84/527702084.db2.gz ODWOKPGKEGZLJL-LBPRGKRZSA-N -1 1 314.307 3.361 20 30 DGEDMM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443335567 528946418 /nfs/dbraw/zinc/94/64/18/528946418.db2.gz PRJIHQMIXSQKLH-UHFFFAOYSA-N -1 1 312.344 3.454 20 30 DGEDMM CC[C@@](NCc1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC000736916069 574810932 /nfs/dbraw/zinc/81/09/32/574810932.db2.gz HCOHOEHQZPBYPP-SFHVURJKSA-N -1 1 312.344 3.177 20 30 DGEDMM CCOc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737212740 574827347 /nfs/dbraw/zinc/82/73/47/574827347.db2.gz KELQQZZXHJPJTK-ACJLOTCBSA-N -1 1 324.380 3.433 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2CCC(C)C)o1 ZINC000737467480 574846306 /nfs/dbraw/zinc/84/63/06/574846306.db2.gz QCVDWUROGNFXBL-NSHDSACASA-N -1 1 317.397 3.167 20 30 DGEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C(=O)[O-])cc3)[nH]c21 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Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnc(C(C)(C)C)nc1)O2 ZINC000840718624 619040906 /nfs/dbraw/zinc/04/09/06/619040906.db2.gz NMDBLDCRAPAADI-MKMNVTDBSA-N -1 1 310.353 3.404 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000752876757 619109471 /nfs/dbraw/zinc/10/94/71/619109471.db2.gz ZFDFMQZUMWOOMP-KTAJNNJTSA-N -1 1 305.236 3.475 20 30 DGEDMM C#CCCc1cc(=O)n(-c2ccc(Br)c(C)c2)[n-]1 ZINC000899349666 619328844 /nfs/dbraw/zinc/32/88/44/619328844.db2.gz JKODURCWTOVTLP-UHFFFAOYSA-N -1 1 305.175 3.264 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cnn(CC2CCC2)c1 ZINC000899426548 619340932 /nfs/dbraw/zinc/34/09/32/619340932.db2.gz SACOVSWIOOGMDW-GQCTYLIASA-N -1 1 300.333 3.424 20 30 DGEDMM CC(C)(C)n1cnc(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000901371650 619490491 /nfs/dbraw/zinc/49/04/91/619490491.db2.gz XGNRJMSIKHKNPR-UHFFFAOYSA-N -1 1 324.384 3.218 20 30 DGEDMM O=C(COc1cccc(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375894 619491929 /nfs/dbraw/zinc/49/19/29/619491929.db2.gz NEISAYIBEUMMTI-UHFFFAOYSA-N -1 1 309.724 3.276 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2c3c(nn2C)CCSC3)c1 ZINC000901483640 619509635 /nfs/dbraw/zinc/50/96/35/619509635.db2.gz SXIPMIUBFMDJQC-GQCTYLIASA-N -1 1 314.410 3.120 20 30 DGEDMM C#CC[C@@H]1CCCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903906915 619832597 /nfs/dbraw/zinc/83/25/97/619832597.db2.gz NFNRFDAZIMMHAB-SNVBAGLBSA-N -1 1 315.291 3.232 20 30 DGEDMM CCOCc1nc(C)cc(NN=C(C)c2c(O)cccc2F)n1 ZINC000905498285 620004733 /nfs/dbraw/zinc/00/47/33/620004733.db2.gz ICDUDEXLVVZQFW-UHFFFAOYSA-N -1 1 318.352 3.002 20 30 DGEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000908654312 620215746 /nfs/dbraw/zinc/21/57/46/620215746.db2.gz ZRGVSIGPFUIJSS-LBPRGKRZSA-N -1 1 307.777 3.186 20 30 DGEDMM N#C[C@@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CC2CCC1CC2 ZINC000913800877 620481568 /nfs/dbraw/zinc/48/15/68/620481568.db2.gz CCSPUERSLZVZEQ-YUNLISADSA-N -1 1 318.804 3.382 20 30 DGEDMM CCCCCCC(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599796 620544452 /nfs/dbraw/zinc/54/44/52/620544452.db2.gz KIOGXRFKSIYMBI-UHFFFAOYSA-N -1 1 307.419 3.071 20 30 DGEDMM COc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc(OC)c1 ZINC000915988725 620612099 /nfs/dbraw/zinc/61/20/99/620612099.db2.gz DQPBYGZJFSTKRV-FRKPEAEDSA-N -1 1 312.321 3.334 20 30 DGEDMM Cc1cc(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)n1C ZINC000754900512 621540277 /nfs/dbraw/zinc/54/02/77/621540277.db2.gz IWCVTOHMXVLPGA-UHFFFAOYSA-N -1 1 305.765 3.440 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000755405769 621571745 /nfs/dbraw/zinc/57/17/45/621571745.db2.gz JZBBTSHJGAWNBD-UHFFFAOYSA-N -1 1 309.749 3.261 20 30 DGEDMM O=C([O-])c1csc(CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000755487402 621575871 /nfs/dbraw/zinc/57/58/71/621575871.db2.gz DHKPKIMYHVEQDM-UHFFFAOYSA-N -1 1 315.276 3.306 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1sc(C)nc1C ZINC000756905476 621671866 /nfs/dbraw/zinc/67/18/66/621671866.db2.gz AVIXGRSORBZUTA-UHFFFAOYSA-N -1 1 319.386 3.303 20 30 DGEDMM O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1cc(O)ccc1[O-] ZINC000757467407 621713931 /nfs/dbraw/zinc/71/39/31/621713931.db2.gz FILQCUOLFOHWPM-VURMDHGXSA-N -1 1 318.332 3.451 20 30 DGEDMM COc1ccc(OC)c(/C=C\C(=O)c2cc(OC)ccc2[O-])c1 ZINC000757467727 621714441 /nfs/dbraw/zinc/71/44/41/621714441.db2.gz ITPNSTLHXLPVRQ-DAXSKMNVSA-N -1 1 314.337 3.314 20 30 DGEDMM Cc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC000757474703 621715487 /nfs/dbraw/zinc/71/54/87/621715487.db2.gz DDUUFAAZAHMLMK-UITAMQMPSA-N -1 1 312.321 3.060 20 30 DGEDMM C[C@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)CC1CCCCC1 ZINC000758125472 621759700 /nfs/dbraw/zinc/75/97/00/621759700.db2.gz YYPFLKRMHXVLNF-NSHDSACASA-N -1 1 316.409 3.073 20 30 DGEDMM Cc1ccc(F)c(N=NCc2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000759665043 621880631 /nfs/dbraw/zinc/88/06/31/621880631.db2.gz DZRNOKURWOWUJZ-GFCCVEGCSA-N -1 1 316.332 3.432 20 30 DGEDMM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000762635630 622088340 /nfs/dbraw/zinc/08/83/40/622088340.db2.gz KVDPAZHMOZVPJZ-JTQLQIEISA-N -1 1 316.382 3.062 20 30 DGEDMM N#CCc1cccc(NCc2cccc(Br)c2[O-])n1 ZINC000764934809 622233780 /nfs/dbraw/zinc/23/37/80/622233780.db2.gz MNJXOFVTVYMAFS-UHFFFAOYSA-N -1 1 318.174 3.228 20 30 DGEDMM CC(C)c1cc(C(=O)N=C2C[C@H](C)ON2)c([O-])c(C(C)C)c1 ZINC000765376408 622261844 /nfs/dbraw/zinc/26/18/44/622261844.db2.gz OUCUMPOQUOZOGO-NSHDSACASA-N -1 1 304.390 3.491 20 30 DGEDMM C=CCCC[C@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000765448857 622266199 /nfs/dbraw/zinc/26/61/99/622266199.db2.gz SBNZRJBDKRDCMG-JTQLQIEISA-N -1 1 317.432 3.021 20 30 DGEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)CCCO2 ZINC000765545042 622272120 /nfs/dbraw/zinc/27/21/20/622272120.db2.gz ZMYOFAIAQSUAPM-UHFFFAOYSA-N -1 1 312.373 3.042 20 30 DGEDMM O=C(CC(F)(F)C(F)(F)F)Nc1ccc([O-])c(F)c1F ZINC000868787714 622284883 /nfs/dbraw/zinc/28/48/83/622284883.db2.gz IYXBQAVUWAVTMB-UHFFFAOYSA-N -1 1 305.149 3.197 20 30 DGEDMM CC(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000122424028 622317844 /nfs/dbraw/zinc/31/78/44/622317844.db2.gz VHKPRFZDGJFUCI-LBPRGKRZSA-N -1 1 313.382 3.228 20 30 DGEDMM N#Cc1cc(Cl)nc(N=NCc2ccc([O-])c(Cl)c2)c1 ZINC000768381716 622453565 /nfs/dbraw/zinc/45/35/65/622453565.db2.gz LPRAAYTUUZWILS-UHFFFAOYSA-N -1 1 307.140 3.412 20 30 DGEDMM [O-]c1c(F)cccc1C=NNc1ccnc(Br)c1 ZINC000769809343 622563028 /nfs/dbraw/zinc/56/30/28/622563028.db2.gz BEOIBYNTJRZSDY-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM CC(C)CC[C@H]1CCCC1=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817867 622564625 /nfs/dbraw/zinc/56/46/25/622564625.db2.gz BEBVISBEAILDMI-LLVKDONJSA-N -1 1 316.409 3.073 20 30 DGEDMM C=CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000771641703 622783755 /nfs/dbraw/zinc/78/37/55/622783755.db2.gz XPQVUMOWGNCCSJ-UHFFFAOYSA-N -1 1 323.392 3.479 20 30 DGEDMM C=CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000771641703 622783760 /nfs/dbraw/zinc/78/37/60/622783760.db2.gz XPQVUMOWGNCCSJ-UHFFFAOYSA-N -1 1 323.392 3.479 20 30 DGEDMM N#Cc1cc(NCc2ccc([O-])c(Cl)c2)nc(C2CC2)n1 ZINC000872725703 622961720 /nfs/dbraw/zinc/96/17/20/622961720.db2.gz IOGPUJFCDYBXML-UHFFFAOYSA-N -1 1 300.749 3.197 20 30 DGEDMM N#Cc1cccc(COC(=O)c2c([O-])cc(F)cc2F)c1F ZINC000774934238 623209567 /nfs/dbraw/zinc/20/95/67/623209567.db2.gz LUECIDYZIVKWAD-UHFFFAOYSA-N -1 1 307.227 3.038 20 30 DGEDMM COC(=O)c1ccccc1NN=C(C)c1ccc(F)cc1[O-] ZINC000776187515 623392667 /nfs/dbraw/zinc/39/26/67/623392667.db2.gz RKUROXNTHLVHEH-UHFFFAOYSA-N -1 1 302.305 3.154 20 30 DGEDMM C[C@]([N-]C(=O)CC(F)(F)C(F)(F)F)(C1CC1)C(F)(F)F ZINC000875386234 623444558 /nfs/dbraw/zinc/44/45/58/623444558.db2.gz LJQZHVJGQVALCA-ZETCQYMHSA-N -1 1 313.188 3.421 20 30 DGEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778036581 623604278 /nfs/dbraw/zinc/60/42/78/623604278.db2.gz LDZSCBBMOKCPRB-VIFPVBQESA-N -1 1 323.245 3.412 20 30 DGEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(O)cc2O)c(Cl)c1 ZINC000783710232 624386051 /nfs/dbraw/zinc/38/60/51/624386051.db2.gz CVEARTCCUGEMEH-ZZXKWVIFSA-N -1 1 318.712 3.346 20 30 DGEDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000784217818 624456357 /nfs/dbraw/zinc/45/63/57/624456357.db2.gz VEWMRAHVHWQFAZ-SNVBAGLBSA-N -1 1 312.281 3.090 20 30 DGEDMM COc1cc2c(cc1/C=C1/Oc3cc([O-])ccc3C1=O)O[C@H](C)C2 ZINC000797217471 626128043 /nfs/dbraw/zinc/12/80/43/626128043.db2.gz ZPINHGGUBQLRNQ-NCMFSIOGSA-N -1 1 324.332 3.340 20 30 DGEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccnn1-c1ccccc1 ZINC000799108151 626272653 /nfs/dbraw/zinc/27/26/53/626272653.db2.gz OTQCYBOYYGKUCC-UHFFFAOYSA-N -1 1 320.352 3.407 20 30 DGEDMM COc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)ccc1C#N ZINC000799494294 626305196 /nfs/dbraw/zinc/30/51/96/626305196.db2.gz DMLKFZZPTHLALD-FRKPEAEDSA-N -1 1 307.305 3.197 20 30 DGEDMM [O-]c1c(F)cc(CN=Nc2nccnc2C2CCC2)cc1F ZINC000807992688 626784037 /nfs/dbraw/zinc/78/40/37/626784037.db2.gz KJLJUERIWSLHKQ-UHFFFAOYSA-N -1 1 304.300 3.174 20 30 DGEDMM [O-]c1c(F)cc(C=NNc2nccnc2C2CCC2)cc1F ZINC000807992688 626784039 /nfs/dbraw/zinc/78/40/39/626784039.db2.gz KJLJUERIWSLHKQ-UHFFFAOYSA-N -1 1 304.300 3.174 20 30 DGEDMM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2C#N)c1[O-] ZINC000808189358 626804688 /nfs/dbraw/zinc/80/46/88/626804688.db2.gz QIIXDRBOWQSLFA-MDZDMXLPSA-N -1 1 306.321 3.118 20 30 DGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2s1 ZINC000809680637 626935636 /nfs/dbraw/zinc/93/56/36/626935636.db2.gz PIQVTMRPGJOLOD-SNVBAGLBSA-N -1 1 323.377 3.365 20 30 DGEDMM O=C([N-][C@@H](c1ccccc1)C(F)(F)F)[C@H](F)C(F)(F)F ZINC000810424991 627006261 /nfs/dbraw/zinc/00/62/61/627006261.db2.gz YKTOMRJPFLOHQE-YUMQZZPRSA-N -1 1 303.177 3.307 20 30 DGEDMM O=C([N-][C@H](c1cc(F)ccc1F)C(F)F)C(F)C(F)(F)F ZINC000811472261 627278318 /nfs/dbraw/zinc/27/83/18/627278318.db2.gz CHPNOYYAXDUKDI-HTQZYQBOSA-N -1 1 321.167 3.288 20 30 DGEDMM O=C([O-])c1cc(CN=Nc2cc(C(F)(F)F)ccc2F)c[nH]1 ZINC000814885710 627602655 /nfs/dbraw/zinc/60/26/55/627602655.db2.gz IBCMAORSVQHZFO-UHFFFAOYSA-N -1 1 315.226 3.317 20 30 DGEDMM CN(C)Cc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1 ZINC000821021824 628326898 /nfs/dbraw/zinc/32/68/98/628326898.db2.gz LGSFOTCNMCHVCS-DHZHZOJOSA-N -1 1 309.365 3.343 20 30 DGEDMM CN(C)Cc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1 ZINC000821021828 628326925 /nfs/dbraw/zinc/32/69/25/628326925.db2.gz LGSFOTCNMCHVCS-FLIBITNWSA-N -1 1 309.365 3.343 20 30 DGEDMM CCCCCC[C@H](C)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821049629 628332323 /nfs/dbraw/zinc/33/23/23/628332323.db2.gz LUNNGBYRPCMLDV-NSHDSACASA-N -1 1 306.439 3.211 20 30 DGEDMM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196799 628429062 /nfs/dbraw/zinc/42/90/62/628429062.db2.gz XHXPUYXZSXEOOA-HWKANZROSA-N -1 1 310.382 3.441 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCC[C@H]2C)o1 ZINC000824352495 628653946 /nfs/dbraw/zinc/65/39/46/628653946.db2.gz FYNVTGZNMGTSQK-MNOVXSKESA-N -1 1 317.397 3.202 20 30 DGEDMM CCCC[C@H](CC)CCN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000825261386 628743570 /nfs/dbraw/zinc/74/35/70/628743570.db2.gz YLFRICWNEPKTDC-NSHDSACASA-N -1 1 305.386 3.167 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000826054967 628824095 /nfs/dbraw/zinc/82/40/95/628824095.db2.gz UBLNROWSTLEDRY-PXAZEXFGSA-N -1 1 312.344 3.249 20 30 DGEDMM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826401382 628851840 /nfs/dbraw/zinc/85/18/40/628851840.db2.gz WXVHCCHMSCFIBK-PLNGDYQASA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826401382 628851844 /nfs/dbraw/zinc/85/18/44/628851844.db2.gz WXVHCCHMSCFIBK-PLNGDYQASA-N -1 1 318.308 3.103 20 30 DGEDMM CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829497203 629162690 /nfs/dbraw/zinc/16/26/90/629162690.db2.gz XVTNRCXOYOMUDW-SFHVURJKSA-N -1 1 324.380 3.302 20 30 DGEDMM C=CC(C)(C)CCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000832722316 629507367 /nfs/dbraw/zinc/50/73/67/629507367.db2.gz WLCSBEGTMQGZDX-UHFFFAOYSA-N -1 1 305.422 3.336 20 30 DGEDMM O=C([O-])c1cc(/C=C\C(=O)c2ccc3ccccc3c2O)c[nH]1 ZINC000833298539 629580055 /nfs/dbraw/zinc/58/00/55/629580055.db2.gz YQAYWDYSSOTCLX-YVMONPNESA-N -1 1 307.305 3.468 20 30 DGEDMM N#Cc1ccc(CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])s1 ZINC000833972269 629664854 /nfs/dbraw/zinc/66/48/54/629664854.db2.gz YBJWQACMBGDYBV-GJZGRUSLSA-N -1 1 319.430 3.117 20 30 DGEDMM Cn1cc(C=NNc2ccc(C(=O)[O-])cc2F)c(C(C)(C)C)n1 ZINC000835012356 629822806 /nfs/dbraw/zinc/82/28/06/629822806.db2.gz PJPNUARYOXLSFP-UHFFFAOYSA-N -1 1 318.352 3.001 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)c1 ZINC000840716969 630351478 /nfs/dbraw/zinc/35/14/78/630351478.db2.gz PSXQMDQBUQAKNP-ALCCZGGFSA-N -1 1 312.369 3.384 20 30 DGEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)[C@@H]1C[C@H]1C ZINC000841627062 630449276 /nfs/dbraw/zinc/44/92/76/630449276.db2.gz WQRMSKPKKYKMSH-NXEZZACHSA-N -1 1 316.409 3.121 20 30 DGEDMM COc1cc(C(=O)/C=C\c2cnn(C(C)C)c2)cc(OC)c1[O-] ZINC000843271521 630639777 /nfs/dbraw/zinc/63/97/77/630639777.db2.gz ZMEQXLBGIJBSDE-WAYWQWQTSA-N -1 1 316.357 3.083 20 30 DGEDMM C[C@H](NN=C1CCCc2c(C#N)c(=O)[n-]cc21)c1ccccc1 ZINC000844576343 630740683 /nfs/dbraw/zinc/74/06/83/630740683.db2.gz AHORHYQAUXPNDM-LBPRGKRZSA-N -1 1 306.369 3.050 20 30 DGEDMM C=C[C@@H](C)ONC(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000844631958 630744993 /nfs/dbraw/zinc/74/49/93/630744993.db2.gz USGDNBUXZGBPFC-MRVPVSSYSA-N -1 1 310.404 3.203 20 30 DGEDMM CCCCCCCCCS(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000844825996 630919076 /nfs/dbraw/zinc/91/90/76/630919076.db2.gz PIINZIQWRRBGJU-UHFFFAOYSA-N -1 1 309.435 3.446 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(O[C@@H]2CCOC2)cc1 ZINC000849250120 631865499 /nfs/dbraw/zinc/86/54/99/631865499.db2.gz QPVIPPZMHKCVGZ-IDGGIGOKSA-N -1 1 322.360 3.382 20 30 DGEDMM COc1c(C)cc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1Cl ZINC000794856764 661109957 /nfs/dbraw/zinc/10/99/57/661109957.db2.gz MLZNVCVEJHBXSD-UHFFFAOYSA-N -1 1 320.780 3.297 20 30 DGEDMM O=C1Nc2ccc(C(F)(F)F)cc2C1=N[N-]c1ncccc1F ZINC000794988984 661119113 /nfs/dbraw/zinc/11/91/13/661119113.db2.gz CBYMNUGOVUTMGQ-UHFFFAOYSA-N -1 1 324.237 3.008 20 30 DGEDMM CC(C)CN1c2ccccc2C(=N[N-]c2ncccc2F)C1=O ZINC000794984366 661119180 /nfs/dbraw/zinc/11/91/80/661119180.db2.gz JWJCAFHPGMKOTF-UHFFFAOYSA-N -1 1 312.348 3.040 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(CC(C)C)cc2)c(=O)o1 ZINC000254957085 655548705 /nfs/dbraw/zinc/54/87/05/655548705.db2.gz BLRSMHCGJCXBTL-GIFJBRJJSA-N -1 1 312.365 3.113 20 30 DGEDMM COc1cc(/C=C/C(=O)c2cc(C)ccc2[O-])cc(OC)c1O ZINC000156702430 655671289 /nfs/dbraw/zinc/67/12/89/655671289.db2.gz SKTOGNKDIFJATL-FNORWQNLSA-N -1 1 314.337 3.320 20 30 DGEDMM O=C1c2cc(F)cc(F)c2OC/C1=C\c1ccc([O-])c(F)c1 ZINC000255319258 655698701 /nfs/dbraw/zinc/69/87/01/655698701.db2.gz SMUQUSUUYNDSGU-YCRREMRBSA-N -1 1 306.239 3.468 20 30 DGEDMM O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1cc(O)ccc1[O-] ZINC000255368885 655719557 /nfs/dbraw/zinc/71/95/57/655719557.db2.gz RGFCHGQVWUKCSS-VURMDHGXSA-N -1 1 320.348 3.239 20 30 DGEDMM O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cc(O)ccc1[O-] ZINC000255674306 655888878 /nfs/dbraw/zinc/88/88/78/655888878.db2.gz AVSSAISLVIURGC-VURMDHGXSA-N -1 1 306.321 3.180 20 30 DGEDMM CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2[O-])ccc1O ZINC000156690398 658933775 /nfs/dbraw/zinc/93/37/75/658933775.db2.gz JIZNYNXCQLVJPM-QPJJXVBHSA-N -1 1 314.337 3.401 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2nccn2CC(F)(F)F)c1 ZINC000156701227 658936046 /nfs/dbraw/zinc/93/60/46/658936046.db2.gz MFSYNFQAYGMKTG-SNAWJCMRSA-N -1 1 310.275 3.356 20 30 DGEDMM Cn1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c(-c2ccccc2)n1 ZINC000179715858 659939240 /nfs/dbraw/zinc/93/92/40/659939240.db2.gz IHLGXKKIXUGJIM-MFOYZWKCSA-N -1 1 318.332 3.409 20 30 DGEDMM C=CC1CCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000932042041 661532563 /nfs/dbraw/zinc/53/25/63/661532563.db2.gz IMPYEQMIUVXIPX-UHFFFAOYSA-N -1 1 312.373 3.008 20 30 DGEDMM O=C(/C=C/c1cccc2c1OCCCO2)c1cc(O)ccc1[O-] ZINC000156656713 661863966 /nfs/dbraw/zinc/86/39/66/661863966.db2.gz INPUAUYNXOGEAL-FNORWQNLSA-N -1 1 312.321 3.155 20 30 DGEDMM N#C[C@@H]([N-]C(=O)C(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000194550817 662168481 /nfs/dbraw/zinc/16/84/81/662168481.db2.gz BPOPUHSYIPTVFX-OAHLLOKOSA-N -1 1 316.307 3.212 20 30 DGEDMM C=C(CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccccc1 ZINC001588444308 1192447977 /nfs/dbraw/zinc/44/79/77/1192447977.db2.gz WSMWJJQROZBKLK-UHFFFAOYSA-N -1 1 318.793 3.102 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)CC[C@H]2C)o1 ZINC001590228642 1192494818 /nfs/dbraw/zinc/49/48/18/1192494818.db2.gz ZBQIKAISQURNIB-NXEZZACHSA-N -1 1 317.397 3.202 20 30 DGEDMM CCCCCCCCCN(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590593012 1192530392 /nfs/dbraw/zinc/53/03/92/1192530392.db2.gz SDLAVXDYGDATJB-UHFFFAOYSA-N -1 1 319.409 3.282 20 30 DGEDMM CCCCCCCCCN(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590593012 1192530395 /nfs/dbraw/zinc/53/03/95/1192530395.db2.gz SDLAVXDYGDATJB-UHFFFAOYSA-N -1 1 319.409 3.282 20 30 DGEDMM N#Cc1cc(F)c(C(=O)NCc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001594558686 1192645479 /nfs/dbraw/zinc/64/54/79/1192645479.db2.gz RPLSZNJPRPICBY-UHFFFAOYSA-N -1 1 322.698 3.125 20 30 DGEDMM C=CC(C)(C)CCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC001687156387 1176034526 /nfs/dbraw/zinc/03/45/26/1176034526.db2.gz DDEKZCIQAQCHED-UHFFFAOYSA-N -1 1 312.360 3.114 20 30 DGEDMM COc1cc(C#N)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001596973991 1192713261 /nfs/dbraw/zinc/71/32/61/1192713261.db2.gz NTRSCQKRLOLSIM-UHFFFAOYSA-N -1 1 302.717 3.178 20 30 DGEDMM N#Cc1ccc(F)c(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001598591008 1192777666 /nfs/dbraw/zinc/77/76/66/1192777666.db2.gz RTDSKJTUXOLSHO-UHFFFAOYSA-N -1 1 308.671 3.448 20 30 DGEDMM N#Cc1ccccc1NC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001196322812 1177840916 /nfs/dbraw/zinc/84/09/16/1177840916.db2.gz VRANSZNZGYUMPQ-UHFFFAOYSA-N -1 1 305.309 3.351 20 30 DGEDMM N#Cc1c(CN2CC[C@@H](c3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC001601082322 1192916742 /nfs/dbraw/zinc/91/67/42/1192916742.db2.gz YEOFHBNHUVNRJD-CQSZACIVSA-N -1 1 324.355 3.385 20 30 DGEDMM O=C([O-])c1c(F)cccc1NN=Cc1nc(-c2ccccc2)c[nH]1 ZINC001602230615 1192963996 /nfs/dbraw/zinc/96/39/96/1192963996.db2.gz MZJWEXILWFGTRL-UHFFFAOYSA-N -1 1 324.315 3.360 20 30 DGEDMM C#CCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)[C@@H]1CCc2ccccc21 ZINC001602719454 1192995018 /nfs/dbraw/zinc/99/50/18/1192995018.db2.gz MBRKUSRPKAXYBL-LJQANCHMSA-N -1 1 322.408 3.398 20 30 DGEDMM C#CCN(Cc1cc(C(=O)[O-])c(CC)[nH]1)[C@H]1CCc2ccccc21 ZINC001602719453 1192995036 /nfs/dbraw/zinc/99/50/36/1192995036.db2.gz MBRKUSRPKAXYBL-IBGZPJMESA-N -1 1 322.408 3.398 20 30 DGEDMM C[C@H](CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C(C)(C)C ZINC001603437404 1193017754 /nfs/dbraw/zinc/01/77/54/1193017754.db2.gz WXZOKAVBPPVCRE-SECBINFHSA-N -1 1 319.413 3.232 20 30 DGEDMM CC[C@@]1(C)CCCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001604081988 1193049136 /nfs/dbraw/zinc/04/91/36/1193049136.db2.gz WYYMWUAHPBLJFN-HNNXBMFYSA-N -1 1 317.397 3.346 20 30 DGEDMM N#Cc1cccc(ONC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001454683245 1182350539 /nfs/dbraw/zinc/35/05/39/1182350539.db2.gz OEGRITDVZLFKQX-UHFFFAOYSA-N -1 1 310.334 3.202 20 30 DGEDMM Cc1ccc(C(=O)NCc2ccc([O-])c(Cl)c2)cc1C#N ZINC001455447739 1182369386 /nfs/dbraw/zinc/36/93/86/1182369386.db2.gz DUKNHHQTQWVUTD-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM O=C(C(=O)N(O)Cc1cccc2ccccc21)c1ccc([O-])cc1 ZINC001458016400 1182490383 /nfs/dbraw/zinc/49/03/83/1182490383.db2.gz MAFMTKICWFZFMU-UHFFFAOYSA-N -1 1 321.332 3.146 20 30 DGEDMM C[C@@H]1CC(C)(C)C[C@](C)([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC001464430062 1183091242 /nfs/dbraw/zinc/09/12/42/1183091242.db2.gz RNFIIIZZTAPBQX-IAQYHMDHSA-N -1 1 310.419 3.034 20 30 DGEDMM N#C[C@H](NC(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC001465505343 1183154316 /nfs/dbraw/zinc/15/43/16/1183154316.db2.gz SZLPWWQJDOVVIE-HNNXBMFYSA-N -1 1 309.369 3.143 20 30 DGEDMM C#Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC001468179338 1183314927 /nfs/dbraw/zinc/31/49/27/1183314927.db2.gz VIMXQBXMACJBBA-UHFFFAOYSA-N -1 1 319.282 3.322 20 30 DGEDMM COc1cc(C#N)ccc1C(=O)Nc1c([O-])cccc1Cl ZINC001468457020 1183336767 /nfs/dbraw/zinc/33/67/67/1183336767.db2.gz FFIOIMQLAONKKM-UHFFFAOYSA-N -1 1 302.717 3.178 20 30 DGEDMM C[C@@H]1CC[C@@](C)(C=CC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(C)C ZINC001469565901 1183418727 /nfs/dbraw/zinc/41/87/27/1183418727.db2.gz GHBTVLNFXSFCNF-DHEQOFIQSA-N -1 1 311.389 3.110 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)C2CC(c3ccc(F)cc3)C2)c1 ZINC001471086140 1183536699 /nfs/dbraw/zinc/53/66/99/1183536699.db2.gz UICFBEWMMPLPBB-UHFFFAOYSA-N -1 1 310.328 3.301 20 30 DGEDMM Cc1cc([C@@H](NCc2ccc(C#N)cc2F)C(=O)[O-])ccc1F ZINC001607612274 1193240916 /nfs/dbraw/zinc/24/09/16/1193240916.db2.gz MPZXFVRADQKKGL-MRXNPFEDSA-N -1 1 316.307 3.060 20 30 DGEDMM N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC001608215229 1193283562 /nfs/dbraw/zinc/28/35/62/1193283562.db2.gz ZJOICMQNHIBDHO-ZWKOTPCHSA-N -1 1 324.355 3.490 20 30 DGEDMM CCC(=[NH+][N-]c1cccc(F)c1C(=O)[O-])c1cccc(N)c1 ZINC001609882321 1193361967 /nfs/dbraw/zinc/36/19/67/1193361967.db2.gz GKNQEBQFUMUDAL-UHFFFAOYSA-N -1 1 301.321 3.332 20 30 DGEDMM CN(Cc1ccc(Cl)cc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC001610122178 1193377932 /nfs/dbraw/zinc/37/79/32/1193377932.db2.gz KPAUMCMBTCDUPL-INIZCTEOSA-N -1 1 314.772 3.469 20 30 DGEDMM Cc1oc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001610586094 1193399947 /nfs/dbraw/zinc/39/99/47/1193399947.db2.gz PHMPRUJASRDEQK-KRWDZBQOSA-N -1 1 310.353 3.325 20 30 DGEDMM O=C([O-])C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C1CC1 ZINC001610752224 1193406514 /nfs/dbraw/zinc/40/65/14/1193406514.db2.gz QZIQXPPEQIPEIX-MTTUFYGSSA-N -1 1 302.157 3.371 20 30 DGEDMM Cc1nc(NC(=O)c2cccc([O-])c2F)sc1SCC#N ZINC001611257135 1193428389 /nfs/dbraw/zinc/42/83/89/1193428389.db2.gz OFQZGQCKDBVKGW-UHFFFAOYSA-N -1 1 323.374 3.164 20 30 DGEDMM N#Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001556919652 1189028017 /nfs/dbraw/zinc/02/80/17/1189028017.db2.gz KFZHYYFNZCPSMP-UHFFFAOYSA-N -1 1 308.671 3.448 20 30 DGEDMM N#Cc1ccccc1C(F)(F)C(=O)Nc1c([O-])cccc1F ZINC001557409160 1189062795 /nfs/dbraw/zinc/06/27/95/1189062795.db2.gz GCGBCSHFEDQWFX-UHFFFAOYSA-N -1 1 306.243 3.133 20 30 DGEDMM N#CCn1c(C(=O)Nc2cccc(F)c2[O-])cc2ccccc21 ZINC001557957952 1189094790 /nfs/dbraw/zinc/09/47/90/1189094790.db2.gz WWKQSIWZEPSQLK-UHFFFAOYSA-N -1 1 309.300 3.262 20 30 DGEDMM C#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC=C)c2)cc1 ZINC001621961170 1193878379 /nfs/dbraw/zinc/87/83/79/1193878379.db2.gz BOCKTDMEYZZVCU-UHFFFAOYSA-N -1 1 313.378 3.034 20 30 DGEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001622160703 1193886982 /nfs/dbraw/zinc/88/69/82/1193886982.db2.gz IAFQQWWIYUSKHV-LBPRGKRZSA-N -1 1 324.204 3.213 20 30 DGEDMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(C#N)cc1 ZINC001629705408 1194248303 /nfs/dbraw/zinc/24/83/03/1194248303.db2.gz HHJCTJUMHFEGQI-LLVKDONJSA-N -1 1 314.772 3.337 20 30 DGEDMM N#Cc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC001630282143 1194277982 /nfs/dbraw/zinc/27/79/82/1194277982.db2.gz CPZYUOOYCOTEAD-UHFFFAOYSA-N -1 1 308.362 3.409 20 30 DGEDMM C=CCCC[C@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001633585428 1194444459 /nfs/dbraw/zinc/44/44/59/1194444459.db2.gz QSMUAFYTBKRJLN-NSHDSACASA-N -1 1 312.360 3.257 20 30 DGEDMM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1C#N ZINC001637888928 1194691877 /nfs/dbraw/zinc/69/18/77/1194691877.db2.gz HBFBKCMXMFWASX-UHFFFAOYSA-N -1 1 302.717 3.178 20 30 DGEDMM N#Cc1ccc(CCC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001638361209 1194714516 /nfs/dbraw/zinc/71/45/16/1194714516.db2.gz UTPFTJJBZOQUHV-UHFFFAOYSA-N -1 1 302.280 3.113 20 30 DGEDMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001640613161 1194822136 /nfs/dbraw/zinc/82/21/36/1194822136.db2.gz OJGOYBAROGHODW-UHFFFAOYSA-N -1 1 308.671 3.448 20 30 DGEDMM C#CCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1CCCc2ccccc21 ZINC001645389625 1195181165 /nfs/dbraw/zinc/18/11/65/1195181165.db2.gz FCHDLBYRIPNLSV-QGZVFWFLSA-N -1 1 320.392 3.249 20 30 DGEDMM N#Cc1ccccc1/C=C/C(=O)NCc1cccc(Cl)c1[O-] ZINC001647827016 1195256478 /nfs/dbraw/zinc/25/64/78/1195256478.db2.gz SOLALNSCSNAAQN-CMDGGOBGSA-N -1 1 312.756 3.247 20 30 DGEDMM N#Cc1c(N)c([N+](=O)[O-])ccc1NCc1ccc([O-])c(Cl)c1 ZINC001651386395 1195453604 /nfs/dbraw/zinc/45/36/04/1195453604.db2.gz GJEINKAGJNUXDK-UHFFFAOYSA-N -1 1 318.720 3.020 20 30 DGEDMM COC(=O)c1c[n-]c(SCc2cc(Cl)cc(C#N)c2)n1 ZINC001651933963 1195525522 /nfs/dbraw/zinc/52/55/22/1195525522.db2.gz VYPRJRURMGNOIC-UHFFFAOYSA-N -1 1 307.762 3.014 20 30 DGEDMM N#Cc1cnccc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC001652092376 1195547034 /nfs/dbraw/zinc/54/70/34/1195547034.db2.gz QFWOCGOKDGERAS-UHFFFAOYSA-N -1 1 310.334 3.058 20 30 DGEDMM Cc1cccc2c1O[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C2 ZINC001654813734 1195842799 /nfs/dbraw/zinc/84/27/99/1195842799.db2.gz AIYXEQDHDRTWBS-OAHLLOKOSA-N -1 1 317.772 3.370 20 30 DGEDMM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001662512727 1196726914 /nfs/dbraw/zinc/72/69/14/1196726914.db2.gz WMJOWBWDPCPQOP-STQMWFEESA-N -1 1 310.419 3.036 20 30 DGEDMM C=CCCC[C@@H](C)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001673493956 1197669263 /nfs/dbraw/zinc/66/92/63/1197669263.db2.gz 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Cc1coc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c1C#N ZINC001193735457 1100794953 /nfs/dbraw/zinc/79/49/53/1100794953.db2.gz NFVCCAASRNLAIK-UHFFFAOYSA-N -1 1 310.231 3.436 20 30 DGEDMM N#Cc1ccc(NC(=O)c2ccc(O)cc2C(F)(F)F)c([O-])c1 ZINC001193749043 1100806304 /nfs/dbraw/zinc/80/63/04/1100806304.db2.gz YZTIVBUITSCQFL-UHFFFAOYSA-N -1 1 322.242 3.241 20 30 DGEDMM C=CCCC[C@@H]([N-]S(=O)(=O)c1conc1C)c1ccccc1 ZINC001194197499 1100892400 /nfs/dbraw/zinc/89/24/00/1100892400.db2.gz HDPADMZUFVJRJV-OAHLLOKOSA-N -1 1 320.414 3.359 20 30 DGEDMM C#Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1F ZINC001194641935 1100980063 /nfs/dbraw/zinc/98/00/63/1100980063.db2.gz CKNAWWYHCVURHF-UHFFFAOYSA-N -1 1 303.358 3.225 20 30 DGEDMM CCCCCCCCOC(=O)NCCCC[P@](=O)([O-])O ZINC001194752189 1100995986 /nfs/dbraw/zinc/99/59/86/1100995986.db2.gz FNBBLKPOZUYXIA-UHFFFAOYSA-N -1 1 309.343 3.031 20 30 DGEDMM CCOC(=O)NC(=S)[N-]c1c(Cl)cc(C#N)cc1Cl ZINC001195482533 1101145163 /nfs/dbraw/zinc/14/51/63/1101145163.db2.gz MANMAMAJRCRJCQ-UHFFFAOYSA-N -1 1 318.185 3.308 20 30 DGEDMM CC[C@H](COC)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196329521 1101285024 /nfs/dbraw/zinc/28/50/24/1101285024.db2.gz DWYBAUWSEHXZSV-QGZVFWFLSA-N -1 1 324.380 3.086 20 30 DGEDMM CCOC(=O)c1cc(-c2c(F)ccc([O-])c2F)ccc1C#N ZINC001241294027 1101357436 /nfs/dbraw/zinc/35/74/36/1101357436.db2.gz HZIUKENTVVVRMC-UHFFFAOYSA-N -1 1 303.264 3.386 20 30 DGEDMM Cc1noc([N-]C(=O)c2ccc(F)c(OC(C)C)c2F)c1C#N ZINC001196881572 1101411431 /nfs/dbraw/zinc/41/14/31/1101411431.db2.gz RWDXPRJNTVYVBM-UHFFFAOYSA-N -1 1 321.283 3.172 20 30 DGEDMM CCOC(=O)c1nc2ccc(-c3ccc(C#N)cc3OC)cc2[n-]1 ZINC001241408725 1101438772 /nfs/dbraw/zinc/43/87/72/1101438772.db2.gz ITVCKKVKXZOSLE-UHFFFAOYSA-N -1 1 321.336 3.287 20 30 DGEDMM CCOC(=O)c1nc2cc(-c3ccc(C#N)cc3OC)ccc2[n-]1 ZINC001241408725 1101438778 /nfs/dbraw/zinc/43/87/78/1101438778.db2.gz ITVCKKVKXZOSLE-UHFFFAOYSA-N -1 1 321.336 3.287 20 30 DGEDMM N#Cc1cc(-c2ncc(OCc3ccccc3)cn2)ccc1[O-] ZINC001242562456 1102212024 /nfs/dbraw/zinc/21/20/24/1102212024.db2.gz ZSFPJYUBRKSGTH-UHFFFAOYSA-N -1 1 303.321 3.300 20 30 DGEDMM COc1ccc(-c2cc(-c3ccc([O-])c(C#N)c3)ncn2)cc1 ZINC001242564021 1102212060 /nfs/dbraw/zinc/21/20/60/1102212060.db2.gz ZDAUWDHEWZABDD-UHFFFAOYSA-N -1 1 303.321 3.396 20 30 DGEDMM Cc1csc(-c2cc(C)nnc2-c2ccc([O-])c(C#N)c2)n1 ZINC001242562833 1102212229 /nfs/dbraw/zinc/21/22/29/1102212229.db2.gz JVHJDMLLAUHZOC-UHFFFAOYSA-N -1 1 308.366 3.461 20 30 DGEDMM COC(=O)c1cc2ccc(-c3ccc([O-])c(C#N)c3)cc2n1C ZINC001242564653 1102213108 /nfs/dbraw/zinc/21/31/08/1102213108.db2.gz LNGXHRPCRVBRMP-UHFFFAOYSA-N -1 1 306.321 3.209 20 30 DGEDMM N#Cc1cc(-c2cnc(OCc3ccccc3F)cn2)ccc1[O-] ZINC001242566527 1102213259 /nfs/dbraw/zinc/21/32/59/1102213259.db2.gz DJVXLBLGRSPNSD-UHFFFAOYSA-N -1 1 321.311 3.439 20 30 DGEDMM CCOC(=O)c1c(F)cc(-c2ccc([O-])c(C#N)c2)cc1F ZINC001242565462 1102213808 /nfs/dbraw/zinc/21/38/08/1102213808.db2.gz FWGBNZCDRCSETC-UHFFFAOYSA-N -1 1 303.264 3.386 20 30 DGEDMM CCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)c(OCC)n1 ZINC001243151584 1102556299 /nfs/dbraw/zinc/55/62/99/1102556299.db2.gz OYVZXIOFRZYDJN-VCHYOVAHSA-N -1 1 304.321 3.493 20 30 DGEDMM N#Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nc(C2CC2)n1 ZINC001244459765 1103454681 /nfs/dbraw/zinc/45/46/81/1103454681.db2.gz XAZMCAGIJLPYPF-UHFFFAOYSA-N -1 1 321.258 3.497 20 30 DGEDMM C[C@@H](NC(=S)Nc1c([O-])cccc1C#N)c1ccc(F)cc1 ZINC001249607263 1105330858 /nfs/dbraw/zinc/33/08/58/1105330858.db2.gz PHKRBVHFUVEROD-SNVBAGLBSA-N -1 1 315.373 3.451 20 30 DGEDMM C=CCn1cnc2c1ncnc2Nc1cc(Cl)c([O-])cc1F ZINC001250019841 1105429419 /nfs/dbraw/zinc/42/94/19/1105429419.db2.gz HYVPROWFUDFVKL-UHFFFAOYSA-N -1 1 319.727 3.254 20 30 DGEDMM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001251146414 1105631781 /nfs/dbraw/zinc/63/17/81/1105631781.db2.gz YXMVVHZLIAEVLH-UHFFFAOYSA-N -1 1 300.383 3.289 20 30 DGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)c1 ZINC001256929301 1106514058 /nfs/dbraw/zinc/51/40/58/1106514058.db2.gz QJULUVGKTQCEAQ-ZDUSSCGKSA-N -1 1 300.383 3.423 20 30 DGEDMM CSc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(F)c1 ZINC001258289862 1106710284 /nfs/dbraw/zinc/71/02/84/1106710284.db2.gz BPPNUIMGFISDEF-UHFFFAOYSA-N -1 1 322.386 3.220 20 30 DGEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC001258909554 1107053901 /nfs/dbraw/zinc/05/39/01/1107053901.db2.gz SIHKVQAYAUWIJM-CYBMUJFWSA-N -1 1 324.764 3.022 20 30 DGEDMM C#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1F ZINC001258926380 1107058566 /nfs/dbraw/zinc/05/85/66/1107058566.db2.gz JOHZHPHQEOTLGH-UHFFFAOYSA-N -1 1 307.321 3.055 20 30 DGEDMM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC001259090449 1107076695 /nfs/dbraw/zinc/07/66/95/1107076695.db2.gz UECIAAKGLCWRSL-SNVBAGLBSA-N -1 1 322.336 3.393 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1C#N ZINC001259156676 1107085907 /nfs/dbraw/zinc/08/59/07/1107085907.db2.gz GLMRGABSZXXTHG-UHFFFAOYSA-N -1 1 323.377 3.216 20 30 DGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1F ZINC001259418659 1107133083 /nfs/dbraw/zinc/13/30/83/1107133083.db2.gz KLZLYGDSSSNBCB-UHFFFAOYSA-N -1 1 316.357 3.376 20 30 DGEDMM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418445 1107133222 /nfs/dbraw/zinc/13/32/22/1107133222.db2.gz BMMMTNJJTHRXQT-UHFFFAOYSA-N -1 1 302.330 3.141 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)cc1F ZINC001259481323 1107147023 /nfs/dbraw/zinc/14/70/23/1107147023.db2.gz STEFECFDHNMVKG-UHFFFAOYSA-N -1 1 318.373 3.423 20 30 DGEDMM Cc1cccc(CS(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)c1 ZINC001259749699 1107191592 /nfs/dbraw/zinc/19/15/92/1107191592.db2.gz MDUIUBMWKIJIIQ-UHFFFAOYSA-N -1 1 322.336 3.087 20 30 DGEDMM C=CCS(=O)(=O)[N-]c1cc(-c2ccccc2)cc(Cl)n1 ZINC001259923535 1107224418 /nfs/dbraw/zinc/22/44/18/1107224418.db2.gz OXSJZEQMBPQUEL-UHFFFAOYSA-N -1 1 308.790 3.330 20 30 DGEDMM C#CC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260196068 1107259068 /nfs/dbraw/zinc/25/90/68/1107259068.db2.gz QSTXILFRXCXACD-UHFFFAOYSA-N -1 1 321.776 3.089 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1C#N ZINC001260760261 1107315415 /nfs/dbraw/zinc/31/54/15/1107315415.db2.gz XTXOSABIBMHBEP-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)[C@@H](C)CC#N ZINC001263020348 1107909602 /nfs/dbraw/zinc/90/96/02/1107909602.db2.gz PYWCNOBDFUBREJ-JTQLQIEISA-N -1 1 319.796 3.062 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(F)c(OC)c2)c1 ZINC001319467359 1108483533 /nfs/dbraw/zinc/48/35/33/1108483533.db2.gz GAGLLCDPLMKOPX-QPJJXVBHSA-N -1 1 302.301 3.445 20 30 DGEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001319923296 1108696381 /nfs/dbraw/zinc/69/63/81/1108696381.db2.gz CNOWOEVZQYTELF-LBPRGKRZSA-N -1 1 300.736 3.486 20 30 DGEDMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1cccc(C#N)c1 ZINC001303622081 1111148585 /nfs/dbraw/zinc/14/85/85/1111148585.db2.gz FUGSQBWMANJKCE-LLVKDONJSA-N -1 1 314.772 3.337 20 30 DGEDMM CCc1cccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000346946135 529620612 /nfs/dbraw/zinc/62/06/12/529620612.db2.gz PPJCPJGYNQBISC-ZDUSSCGKSA-N -1 1 304.353 3.021 20 30 DGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1 ZINC000170687947 432077082 /nfs/dbraw/zinc/07/70/82/432077082.db2.gz QLUBWTPVUFFHAE-UHFFFAOYSA-N -1 1 323.377 3.150 20 30 DGEDMM Cc1nc(C(C)(C)NC(=O)c2ccc(C#N)c([O-])c2)sc1C ZINC000188684674 200288100 /nfs/dbraw/zinc/28/81/00/200288100.db2.gz MUXKYXVISPAHQF-UHFFFAOYSA-N -1 1 315.398 3.002 20 30 DGEDMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188617162 200276081 /nfs/dbraw/zinc/27/60/81/200276081.db2.gz OENHWBOBTAQMOA-HIFRSBDPSA-N -1 1 304.415 3.058 20 30 DGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000431194563 238095973 /nfs/dbraw/zinc/09/59/73/238095973.db2.gz UFLIXIICLQNYIK-UHFFFAOYSA-N -1 1 323.377 3.216 20 30 DGEDMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000442672898 239108678 /nfs/dbraw/zinc/10/86/78/239108678.db2.gz PNOYQYDSXNFDKK-QGZVFWFLSA-N -1 1 306.365 3.202 20 30 DGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000076935490 283843516 /nfs/dbraw/zinc/84/35/16/283843516.db2.gz YLQBJAUOERXPGZ-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM N#Cc1ccc(C(=O)NCc2cccc3ccccc32)cc1[O-] ZINC000190132002 432124565 /nfs/dbraw/zinc/12/45/65/432124565.db2.gz KFHTZNOFVPIGEM-UHFFFAOYSA-N -1 1 302.333 3.347 20 30 DGEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000016101245 182034472 /nfs/dbraw/zinc/03/44/72/182034472.db2.gz CGCUPJPLQSSPJQ-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000337163685 253056376 /nfs/dbraw/zinc/05/63/76/253056376.db2.gz WYWLLOJBDDPWJA-UHFFFAOYSA-N -1 1 316.357 3.376 20 30 DGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000339935043 533619564 /nfs/dbraw/zinc/61/95/64/533619564.db2.gz HNSRLPRYUSCOAH-LLVKDONJSA-N -1 1 313.382 3.434 20 30 DGEDMM CCCOc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000616171562 400094665 /nfs/dbraw/zinc/09/46/65/400094665.db2.gz LFZQLIPGNZRPRS-UHFFFAOYSA-N -1 1 324.380 3.291 20 30 DGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000026252873 400254842 /nfs/dbraw/zinc/25/48/42/400254842.db2.gz RJXDQCXBCWCSLY-BDAKNGLRSA-N -1 1 314.242 3.354 20 30 DGEDMM COc1ccccc1CCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026255130 400255080 /nfs/dbraw/zinc/25/50/80/400255080.db2.gz OJXGJAUPVIWQRK-UHFFFAOYSA-N -1 1 314.267 3.053 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000589166316 400267559 /nfs/dbraw/zinc/26/75/59/400267559.db2.gz BVCJYALYESJMGS-UHFFFAOYSA-N -1 1 322.349 3.035 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000589165350 400267872 /nfs/dbraw/zinc/26/78/72/400267872.db2.gz VZOZAEJJNKBEQQ-KRWDZBQOSA-N -1 1 310.328 3.380 20 30 DGEDMM Cc1ccc(C)n1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589174149 400268922 /nfs/dbraw/zinc/26/89/22/400268922.db2.gz GAGKBIUEVGSADS-UHFFFAOYSA-N -1 1 323.396 3.160 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000589180703 400268966 /nfs/dbraw/zinc/26/89/66/400268966.db2.gz FJOMBOALHCKSDP-UHFFFAOYSA-N -1 1 318.735 3.029 20 30 DGEDMM Cc1ccccc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000589179723 400269035 /nfs/dbraw/zinc/26/90/35/400269035.db2.gz GRTZBZCIDOEBIS-GOSISDBHSA-N -1 1 306.365 3.453 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2csc3ccccc23)c1 ZINC000589170644 400269058 /nfs/dbraw/zinc/26/90/58/400269058.db2.gz VMKOKKPJWXMEIE-UHFFFAOYSA-N -1 1 322.389 3.451 20 30 DGEDMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589181795 400270569 /nfs/dbraw/zinc/27/05/69/400270569.db2.gz BPOZEJTVMOOGIO-BLLLJJGKSA-N -1 1 324.355 3.421 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2SCCc3ccccc32)c1 ZINC000589188148 400271613 /nfs/dbraw/zinc/27/16/13/400271613.db2.gz ZCKWBFJPMIFEBS-KRWDZBQOSA-N -1 1 324.405 3.024 20 30 DGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1F ZINC000589196599 400273360 /nfs/dbraw/zinc/27/33/60/400273360.db2.gz SOYQFOKVRYWIPU-VIFPVBQESA-N -1 1 302.280 3.033 20 30 DGEDMM CC1(c2ccccc2)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589195680 400273585 /nfs/dbraw/zinc/27/35/85/400273585.db2.gz CQOHZTVDWUWMJR-UHFFFAOYSA-N -1 1 320.392 3.458 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)c1 ZINC000589197340 400274857 /nfs/dbraw/zinc/27/48/57/400274857.db2.gz OVIWKAJQFWMLSA-UHFFFAOYSA-N -1 1 324.355 3.156 20 30 DGEDMM C[C@]1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCc2ccccc21 ZINC000589197386 400275514 /nfs/dbraw/zinc/27/55/14/400275514.db2.gz UOPWLULWFWSDQN-HXUWFJFHSA-N -1 1 320.392 3.288 20 30 DGEDMM CC(C)Cn1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C1CC1 ZINC000589522318 400304165 /nfs/dbraw/zinc/30/41/65/400304165.db2.gz KKCMXJPZBBOOHL-UHFFFAOYSA-N -1 1 324.384 3.246 20 30 DGEDMM COc1ccc(C=CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000072673267 400397627 /nfs/dbraw/zinc/39/76/27/400397627.db2.gz KUUPYMMRNPZOPW-QPJJXVBHSA-N -1 1 312.251 3.134 20 30 DGEDMM Cc1nnc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)s1 ZINC000597187277 400581159 /nfs/dbraw/zinc/58/11/59/400581159.db2.gz PDISFZIJTAJBFV-VIFPVBQESA-N -1 1 318.427 3.493 20 30 DGEDMM C=CCCSCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000597970364 400707142 /nfs/dbraw/zinc/70/71/42/400707142.db2.gz DXHAQLCNCGJQSO-UHFFFAOYSA-N -1 1 315.822 3.093 20 30 DGEDMM CN(Cc1cccc(Cl)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293517 400872405 /nfs/dbraw/zinc/87/24/05/400872405.db2.gz XTEOBLUGWUPKJX-UHFFFAOYSA-N -1 1 300.745 3.189 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000614299349 400873320 /nfs/dbraw/zinc/87/33/20/400873320.db2.gz CADQGAUJXOSDDJ-QFBILLFUSA-N -1 1 320.392 3.405 20 30 DGEDMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614300802 400873442 /nfs/dbraw/zinc/87/34/42/400873442.db2.gz UDURPRKQMZAACO-DZGCQCFKSA-N -1 1 304.415 3.010 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000614299350 400873454 /nfs/dbraw/zinc/87/34/54/400873454.db2.gz CADQGAUJXOSDDJ-VQIMIIECSA-N -1 1 320.392 3.405 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCc3ccc(F)cc32)c1 ZINC000619450757 400850502 /nfs/dbraw/zinc/85/05/02/400850502.db2.gz 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432735844 /nfs/dbraw/zinc/73/58/44/432735844.db2.gz DLSRTNBDJKTRMI-CYBMUJFWSA-N -1 1 312.291 3.115 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)ccc1C#N ZINC000235894534 432745722 /nfs/dbraw/zinc/74/57/22/432745722.db2.gz UKDYLOSUMVAVLD-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000179024907 432796423 /nfs/dbraw/zinc/79/64/23/432796423.db2.gz SFLQTPYHDICJFG-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000179026356 432796915 /nfs/dbraw/zinc/79/69/15/432796915.db2.gz LLKZXNXWHZHQIA-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CC(C)(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000268049564 432840423 /nfs/dbraw/zinc/84/04/23/432840423.db2.gz OQDPTAKZQHKQFS-NSHDSACASA-N -1 1 300.736 3.486 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)cc1[O-] ZINC000330637412 432921384 /nfs/dbraw/zinc/92/13/84/432921384.db2.gz VQRCHGNPLJSSSQ-UHFFFAOYSA-N -1 1 312.291 3.068 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427126155 433653882 /nfs/dbraw/zinc/65/38/82/433653882.db2.gz LFHMBYSJOHIXLO-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000427549255 433725118 /nfs/dbraw/zinc/72/51/18/433725118.db2.gz HXSBXSOWLXMAGM-GXDHUFHOSA-N -1 1 306.365 3.439 20 30 DGEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000284695770 433902954 /nfs/dbraw/zinc/90/29/54/433902954.db2.gz HHOSOTOXXLHLFV-CYBMUJFWSA-N -1 1 318.801 3.086 20 30 DGEDMM CC(C)(CCC#N)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436739423 434090601 /nfs/dbraw/zinc/09/06/01/434090601.db2.gz OBZOWDSRXFBAEE-UHFFFAOYSA-N -1 1 314.307 3.471 20 30 DGEDMM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295160779 434232704 /nfs/dbraw/zinc/23/27/04/434232704.db2.gz GWDCEFVQUGCMDE-UHFFFAOYSA-N -1 1 306.387 3.157 20 30 DGEDMM C=CCC(C)(C)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000386482716 434314059 /nfs/dbraw/zinc/31/40/59/434314059.db2.gz IPLAHSKPVNVHMF-UHFFFAOYSA-N -1 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C=CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccncc1 ZINC000734555426 574667333 /nfs/dbraw/zinc/66/73/33/574667333.db2.gz SHJDZTMFUIOMSZ-CQSZACIVSA-N -1 1 302.761 3.488 20 30 DGEDMM CC[C@](NCc1ccc(F)cc1C#N)(C(=O)[O-])c1ccccc1 ZINC000736920382 574811294 /nfs/dbraw/zinc/81/12/94/574811294.db2.gz MNOXXXNEKPZBDX-GOSISDBHSA-N -1 1 312.344 3.177 20 30 DGEDMM COc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738118492 574859329 /nfs/dbraw/zinc/85/93/29/574859329.db2.gz CDENLNKJRUYWOA-SJKOYZFVSA-N -1 1 310.353 3.043 20 30 DGEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(C(=O)[O-])c3)[nH]c21 ZINC000738747612 574880972 /nfs/dbraw/zinc/88/09/72/574880972.db2.gz ZOEXGDDDEUMVLB-ZDUSSCGKSA-N -1 1 319.320 3.060 20 30 DGEDMM N#CCOc1ccc(Cl)cc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000739087983 574891151 /nfs/dbraw/zinc/89/11/51/574891151.db2.gz ONVFRPAEGMZLNW-CQSZACIVSA-N -1 1 322.792 3.072 20 30 DGEDMM O=C([O-])N1CCC[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC000739924858 574916243 /nfs/dbraw/zinc/91/62/43/574916243.db2.gz PNAPQWAOJSYFPO-JIURPICXSA-N -1 1 317.172 3.260 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2C[C@H](C)Sc3sccc32)n1 ZINC000743418356 575050588 /nfs/dbraw/zinc/05/05/88/575050588.db2.gz DABONOYQOJAXQX-QMMMGPOBSA-N -1 1 306.416 3.253 20 30 DGEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1 ZINC000747703439 575533773 /nfs/dbraw/zinc/53/37/73/575533773.db2.gz BHBTWXVNVOPZPF-AWEZNQCLSA-N -1 1 304.271 3.299 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3cccc(F)c3)nc1-2 ZINC000750729844 575747583 /nfs/dbraw/zinc/74/75/83/575747583.db2.gz NEQCEYNPSNCVAA-GXMNPTEKSA-N -1 1 320.327 3.295 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccccc3F)nc1-2 ZINC000750723725 575747635 /nfs/dbraw/zinc/74/76/35/575747635.db2.gz KEXGCOYVWYGGCS-FMFIFOJESA-N -1 1 320.327 3.295 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)CCN3C)c1 ZINC000751535061 575789368 /nfs/dbraw/zinc/78/93/68/575789368.db2.gz LPKCLLXGPDEKES-QPJJXVBHSA-N -1 1 309.365 3.289 20 30 DGEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cn(-c2ccccc2)nn1 ZINC000728696754 576195721 /nfs/dbraw/zinc/19/57/21/576195721.db2.gz CKYJVXRSQYANCV-GXDHUFHOSA-N -1 1 317.348 3.185 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1nccn1CC(F)(F)F)O2 ZINC000728699119 576195794 /nfs/dbraw/zinc/19/57/94/576195794.db2.gz PVSGFWZURWCLSH-WDZFZDKYSA-N -1 1 324.258 3.076 20 30 DGEDMM C[C@H](Oc1ccc(CN=Nc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000794856207 602065396 /nfs/dbraw/zinc/06/53/96/602065396.db2.gz GMCRDCGPAGKPDE-JTQLQIEISA-N -1 1 320.295 3.263 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(OC3CCCC3)c2)n1 ZINC000917529676 620673753 /nfs/dbraw/zinc/67/37/53/620673753.db2.gz TWPDEANTQHIYRR-UHFFFAOYSA-N -1 1 312.373 3.258 20 30 DGEDMM C=CCC1(C(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000890761195 617657212 /nfs/dbraw/zinc/65/72/12/617657212.db2.gz NCTJXEGGLWINPC-UHFFFAOYSA-N -1 1 309.793 3.035 20 30 DGEDMM N#CCOc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667210 620746344 /nfs/dbraw/zinc/74/63/44/620746344.db2.gz WBLHQPMQKBTVJR-UHFFFAOYSA-N -1 1 316.744 3.129 20 30 DGEDMM Cn1cc(C=NNc2c(Cl)cc(F)cc2Cl)c(=O)[n-]1 ZINC000814226562 618729224 /nfs/dbraw/zinc/72/92/24/618729224.db2.gz YDVYXJNWIYSGKI-UHFFFAOYSA-N -1 1 303.124 3.018 20 30 DGEDMM O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc([O-])c(F)c1F ZINC000901431643 619500854 /nfs/dbraw/zinc/50/08/54/619500854.db2.gz WRAVCBGBUMJMQB-XFFZJAGNSA-N -1 1 324.352 3.173 20 30 DGEDMM C#CC[C@H]1CCCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903906914 619832211 /nfs/dbraw/zinc/83/22/11/619832211.db2.gz NFNRFDAZIMMHAB-JTQLQIEISA-N -1 1 315.291 3.232 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(C)c(OC(F)F)c(C)c2)n1 ZINC000916241877 620622390 /nfs/dbraw/zinc/62/23/90/620622390.db2.gz YYUUDDLRYWGKMR-UHFFFAOYSA-N -1 1 322.315 3.155 20 30 DGEDMM [O-]c1ccc(C=NO[C@H]2CCCCO2)cc1Br ZINC000755815638 620892632 /nfs/dbraw/zinc/89/26/32/620892632.db2.gz SIWZMKSMNFGSNZ-LBPRGKRZSA-N -1 1 300.152 3.032 20 30 DGEDMM [O-]c1cccc(C=NNCC(F)(F)C(F)(F)F)c1Cl ZINC000863183053 621646003 /nfs/dbraw/zinc/64/60/03/621646003.db2.gz JWBFHSWQANBKJJ-UHFFFAOYSA-N -1 1 302.630 3.167 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(O)c(F)c1 ZINC000756898917 621670840 /nfs/dbraw/zinc/67/08/40/621670840.db2.gz HVZSMHSFHJFCRB-UHFFFAOYSA-N -1 1 318.304 3.074 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C)cc1O ZINC000756900964 621671435 /nfs/dbraw/zinc/67/14/35/621671435.db2.gz FPMJGLREVUJMPB-UHFFFAOYSA-N -1 1 314.341 3.244 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C1CCc2ccc(F)cc21 ZINC000756905450 621671793 /nfs/dbraw/zinc/67/17/93/621671793.db2.gz AFXTUDQVACAWNI-UHFFFAOYSA-N -1 1 314.316 3.295 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cccc(C#N)c1 ZINC000756905712 621671953 /nfs/dbraw/zinc/67/19/53/621671953.db2.gz GEXTZZDECWBUII-UHFFFAOYSA-N -1 1 309.325 3.101 20 30 DGEDMM CC(N=Nc1cnc2ccccc2n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758120639 621758997 /nfs/dbraw/zinc/75/89/97/621758997.db2.gz OPWQZTMBSOCVEV-UHFFFAOYSA-N -1 1 323.312 3.080 20 30 DGEDMM N#Cc1cc(COC(=O)c2cc(-c3ccco3)n[nH]2)ccc1F ZINC000758930794 621812408 /nfs/dbraw/zinc/81/24/08/621812408.db2.gz ZKPPAQXLGOJOLQ-UHFFFAOYSA-N -1 1 311.272 3.037 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccc(-n3cccn3)c2)c1 ZINC000760264114 621926160 /nfs/dbraw/zinc/92/61/60/621926160.db2.gz JTPOGTGCDMSHQK-SOFGYWHQSA-N -1 1 320.348 3.483 20 30 DGEDMM Cc1ccc(-c2nc(C=NNc3ccc(C(=O)[O-])cn3)co2)cc1 ZINC000763367404 622141059 /nfs/dbraw/zinc/14/10/59/622141059.db2.gz CVWUMDBPDJJSJI-UHFFFAOYSA-N -1 1 322.324 3.189 20 30 DGEDMM CC(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000122423787 622318120 /nfs/dbraw/zinc/31/81/20/622318120.db2.gz VHKPRFZDGJFUCI-GFCCVEGCSA-N -1 1 313.382 3.228 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cc(F)c(F)cc2F)c1 ZINC000767731055 622419187 /nfs/dbraw/zinc/41/91/87/622419187.db2.gz VKSBXDRZEGPDSD-HNQUOIGGSA-N -1 1 322.238 3.404 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cn(C)nc1C(C)(C)C)O2 ZINC000769607467 622544097 /nfs/dbraw/zinc/54/40/97/622544097.db2.gz LBDXVKRKTDMFGP-VGOFMYFVSA-N -1 1 312.369 3.348 20 30 DGEDMM CC1=CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CCC1 ZINC000769810938 622563491 /nfs/dbraw/zinc/56/34/91/622563491.db2.gz VMYSDMLCWJSTII-UHFFFAOYSA-N -1 1 314.393 3.185 20 30 DGEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047041 625596708 /nfs/dbraw/zinc/59/67/08/625596708.db2.gz AQBIQWJWKPJORN-NSHDSACASA-N -1 1 313.785 3.350 20 30 DGEDMM COc1c([O-])c(C=NNc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000772991268 622962257 /nfs/dbraw/zinc/96/22/57/622962257.db2.gz SRWOOYUMSTUSLH-UHFFFAOYSA-N -1 1 323.255 3.033 20 30 DGEDMM CC(C)c1nccnc1NN=Cc1ccc(C(=O)[O-])cc1Cl ZINC000773087026 622981162 /nfs/dbraw/zinc/98/11/62/622981162.db2.gz WTQRAQHOUFVZEX-UHFFFAOYSA-N -1 1 318.764 3.398 20 30 DGEDMM [O-]c1c(C=NN[C@@H]2CCCOC2)cc(Cl)c2ccccc12 ZINC000780261197 623898785 /nfs/dbraw/zinc/89/87/85/623898785.db2.gz HDURGZDKMCSVBC-GFCCVEGCSA-N -1 1 304.777 3.301 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2c(Cl)ccc3cccnc32)n1 ZINC000781116145 624025147 /nfs/dbraw/zinc/02/51/47/624025147.db2.gz ZTVAFYGGNLABRN-UHFFFAOYSA-N -1 1 313.748 3.138 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2scnc2C2CC2)c1 ZINC000782348865 624242649 /nfs/dbraw/zinc/24/26/49/624242649.db2.gz VCQFMOBPJXPONW-AATRIKPKSA-N -1 1 315.350 3.320 20 30 DGEDMM Cc1cc(COC(=O)c2c([O-])cc(F)cc2F)ccc1C#N ZINC000783266716 624333061 /nfs/dbraw/zinc/33/30/61/624333061.db2.gz UWECIHKFIGUUPY-UHFFFAOYSA-N -1 1 303.264 3.208 20 30 DGEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1c([O-])cccc1Cl ZINC000787842665 625061155 /nfs/dbraw/zinc/06/11/55/625061155.db2.gz IMKFMECFRUCBAL-AWEZNQCLSA-N -1 1 312.756 3.335 20 30 DGEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1cc(C(=O)[O-])ccc1C ZINC000788425513 625166317 /nfs/dbraw/zinc/16/63/17/625166317.db2.gz HYJIPDNXTOWOEC-UHFFFAOYSA-N -1 1 322.368 3.416 20 30 DGEDMM CCc1cccc(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000788732522 625253052 /nfs/dbraw/zinc/25/30/52/625253052.db2.gz NOUICVJJFPSWOX-KXPUMZMLSA-N -1 1 318.756 3.131 20 30 DGEDMM Cc1oc(C(C)C)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000796789074 626083202 /nfs/dbraw/zinc/08/32/02/626083202.db2.gz MILJXAFEHJJJBL-CYBMUJFWSA-N -1 1 311.341 3.068 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C/c2ccccc2-n2cncn2)c([O-])c1 ZINC000799895274 626334143 /nfs/dbraw/zinc/33/41/43/626334143.db2.gz OENOKTGXHZDBGI-BQYQJAHWSA-N -1 1 319.364 3.486 20 30 DGEDMM Cc1[nH]c(CN=Nc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000800811713 626376038 /nfs/dbraw/zinc/37/60/38/626376038.db2.gz GGZSSJZSLQNWRQ-UHFFFAOYSA-N -1 1 322.708 3.029 20 30 DGEDMM CCCCN(Cc1ccccc1O)C(=O)c1cc([O-])cc(C#N)c1 ZINC000801549858 626409606 /nfs/dbraw/zinc/40/96/06/626409606.db2.gz DHMJMVXZMXFFFJ-UHFFFAOYSA-N -1 1 324.380 3.412 20 30 DGEDMM COc1ccsc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558592 626720547 /nfs/dbraw/zinc/72/05/47/626720547.db2.gz GWWJFWYWAMNUMX-SNAWJCMRSA-N -1 1 304.323 3.057 20 30 DGEDMM N#Cc1csc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000811507437 627283401 /nfs/dbraw/zinc/28/34/01/627283401.db2.gz CEMWGPHKGAQWDS-UHFFFAOYSA-N -1 1 314.197 3.317 20 30 DGEDMM C#CCO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC000812782121 627419624 /nfs/dbraw/zinc/41/96/24/627419624.db2.gz NHLSJVRQUXQLSE-UHFFFAOYSA-N -1 1 303.402 3.133 20 30 DGEDMM N#CC1(CCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000840321916 627565701 /nfs/dbraw/zinc/56/57/01/627565701.db2.gz TZLTUXCCIBSGMH-UHFFFAOYSA-N -1 1 318.329 3.321 20 30 DGEDMM CCN(CC)c1ccnc(N=NCc2cccc([O-])c2Cl)n1 ZINC000814870890 627600745 /nfs/dbraw/zinc/60/07/45/627600745.db2.gz CUGFENZGMHKCHO-UHFFFAOYSA-N -1 1 319.796 3.128 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H](C)C2CCCCC2)o1 ZINC000819783544 628190455 /nfs/dbraw/zinc/19/04/55/628190455.db2.gz YYYMUUDPILUIMK-SECBINFHSA-N -1 1 317.397 3.167 20 30 DGEDMM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000821476072 628373788 /nfs/dbraw/zinc/37/37/88/628373788.db2.gz GDNRDBFLRBLIBF-ZZXKWVIFSA-N -1 1 316.411 3.448 20 30 DGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000822225355 628430564 /nfs/dbraw/zinc/43/05/64/628430564.db2.gz ZSDUFNUEBRQSIE-HWKANZROSA-N -1 1 302.384 3.194 20 30 DGEDMM Clc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822590076 628468582 /nfs/dbraw/zinc/46/85/82/628468582.db2.gz HJWYRBNJHXGVTK-UHFFFAOYSA-N -1 1 304.766 3.028 20 30 DGEDMM N#Cc1ccc(Cl)cc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000822825486 628499938 /nfs/dbraw/zinc/49/99/38/628499938.db2.gz HKKMWTSEPVXODG-UHFFFAOYSA-N -1 1 315.695 3.323 20 30 DGEDMM N#Cc1ccc(Cl)cc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000822825486 628499940 /nfs/dbraw/zinc/49/99/40/628499940.db2.gz HKKMWTSEPVXODG-UHFFFAOYSA-N -1 1 315.695 3.323 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000826054969 628824015 /nfs/dbraw/zinc/82/40/15/628824015.db2.gz UBLNROWSTLEDRY-SJKOYZFVSA-N -1 1 312.344 3.249 20 30 DGEDMM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1Cl ZINC000826384303 628850353 /nfs/dbraw/zinc/85/03/53/628850353.db2.gz PUEAOYSGJHHDRY-UHFFFAOYSA-N -1 1 316.777 3.065 20 30 DGEDMM CC(C)Oc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827063090 628918319 /nfs/dbraw/zinc/91/83/19/628918319.db2.gz NGYKPFSIEIVWTH-SFHVURJKSA-N -1 1 324.380 3.261 20 30 DGEDMM O=C([N-]CC(F)(F)c1ccc(F)cc1F)C(F)C(F)(F)F ZINC000834295734 629687251 /nfs/dbraw/zinc/68/72/51/629687251.db2.gz UCCBEHYNGKTYFP-MRVPVSSYSA-N -1 1 321.167 3.073 20 30 DGEDMM N#C[C@@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CC12CCCC2 ZINC000834821596 629784202 /nfs/dbraw/zinc/78/42/02/629784202.db2.gz CQRCTVVBUNAYGD-MRXNPFEDSA-N -1 1 304.777 3.136 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000836974474 630195204 /nfs/dbraw/zinc/19/52/04/630195204.db2.gz XQZDJWCDQYKSGG-VIFPVBQESA-N -1 1 305.246 3.419 20 30 DGEDMM C=CCO[N-]C(=O)Cc1sc(SC2CCCC2)nc1C ZINC000841440988 630437428 /nfs/dbraw/zinc/43/74/28/630437428.db2.gz SIPAIGVQTDDGMU-UHFFFAOYSA-N -1 1 312.460 3.263 20 30 DGEDMM N#Cc1c(NCc2c([O-])ccc(Cl)c2F)n[nH]c1C1CC1 ZINC000842217502 630505883 /nfs/dbraw/zinc/50/58/83/630505883.db2.gz ASEQWSKTUAAUKE-UHFFFAOYSA-N -1 1 306.728 3.269 20 30 DGEDMM C#CC[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000843998370 630706132 /nfs/dbraw/zinc/70/61/32/630706132.db2.gz BGSWVDQHQRCHCA-NSHDSACASA-N -1 1 322.202 3.030 20 30 DGEDMM C[C@@H](NN=C1CCCc2c(C#N)c(=O)[n-]cc21)c1ccccc1 ZINC000844576341 630740668 /nfs/dbraw/zinc/74/06/68/630740668.db2.gz AHORHYQAUXPNDM-GFCCVEGCSA-N -1 1 306.369 3.050 20 30 DGEDMM C=C(C)CO[N-]C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000846537130 631257343 /nfs/dbraw/zinc/25/73/43/631257343.db2.gz FCNGSMJYMRNJJM-UHFFFAOYSA-N -1 1 308.428 3.346 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(O[C@@H]2CCOC2)cc1 ZINC000849250122 631865539 /nfs/dbraw/zinc/86/55/39/631865539.db2.gz QPVIPPZMHKCVGZ-IKFRKZOMSA-N -1 1 322.360 3.382 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ncc(CN(C)C)s2)c1 ZINC000794700229 661099775 /nfs/dbraw/zinc/09/97/75/661099775.db2.gz HWVDEARFSVVKKP-SREVYHEPSA-N -1 1 302.399 3.115 20 30 DGEDMM Cc1ccccc1-n1nccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000794941504 661115157 /nfs/dbraw/zinc/11/51/57/661115157.db2.gz PQVPIMIALOUALF-VURMDHGXSA-N -1 1 320.348 3.488 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(F)ccc(O)c2F)c1 ZINC000794941222 661115191 /nfs/dbraw/zinc/11/51/91/661115191.db2.gz KXNMVKQNWRNXPB-UTCJRWHESA-N -1 1 306.264 3.281 20 30 DGEDMM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cc(F)ccc1O ZINC000254950611 655548029 /nfs/dbraw/zinc/54/80/29/655548029.db2.gz JTBHXUGVRPBGHK-DJWKRKHSSA-N -1 1 303.245 3.041 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc3ccccc23)c(=O)o1 ZINC000255299542 655693975 /nfs/dbraw/zinc/69/39/75/655693975.db2.gz LLLNEYXIPWFYMB-WLMCBFPDSA-N -1 1 312.346 3.130 20 30 DGEDMM O=c1ccc2c([nH]1)CCC(=Cc1ccc([O-])c(Cl)c1)C2=O ZINC000255758764 655894676 /nfs/dbraw/zinc/89/46/76/655894676.db2.gz ZKOONUZBEJTWSE-JXMROGBWSA-N -1 1 301.729 3.359 20 30 DGEDMM Cc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)ccc1-n1cncn1 ZINC000187225829 656136122 /nfs/dbraw/zinc/13/61/22/656136122.db2.gz XPJQYRFSXNYTBT-CHHVJCJISA-N -1 1 317.348 3.104 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cccc2c1OCCCO2 ZINC000221779471 658905788 /nfs/dbraw/zinc/90/57/88/658905788.db2.gz MHFGYLGNVXEOJY-SXGWCWSVSA-N -1 1 310.305 3.170 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000193475281 662135591 /nfs/dbraw/zinc/13/55/91/662135591.db2.gz UPAIFMJTWIPZLZ-JTQLQIEISA-N -1 1 320.707 3.342 20 30 DGEDMM C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1[O-] ZINC000193511249 662136621 /nfs/dbraw/zinc/13/66/21/662136621.db2.gz WYYUQNVYHVECNE-MRXNPFEDSA-N -1 1 312.756 3.245 20 30 DGEDMM COCCOc1ccccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000083535727 662195479 /nfs/dbraw/zinc/19/54/79/662195479.db2.gz HBNLTILJFAZUQC-YVLHZVERSA-N -1 1 312.321 3.034 20 30 DGEDMM C#CCO[C@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001585193209 1192248864 /nfs/dbraw/zinc/24/88/64/1192248864.db2.gz OYCODLWOSGSTQW-SNVBAGLBSA-N -1 1 303.745 3.176 20 30 DGEDMM C=C(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001588444331 1192447558 /nfs/dbraw/zinc/44/75/58/1192447558.db2.gz XOKUPDLJIGCLHW-UHFFFAOYSA-N -1 1 312.764 3.040 20 30 DGEDMM C=C(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588444331 1192447562 /nfs/dbraw/zinc/44/75/62/1192447562.db2.gz XOKUPDLJIGCLHW-UHFFFAOYSA-N -1 1 312.764 3.040 20 30 DGEDMM C=C(C)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC001588429466 1192447761 /nfs/dbraw/zinc/44/77/61/1192447761.db2.gz XRRPAHICTGJSFP-UHFFFAOYSA-N -1 1 308.345 3.042 20 30 DGEDMM C=CC(C)(C)CCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588487411 1192448711 /nfs/dbraw/zinc/44/87/11/1192448711.db2.gz QWBJQMJTNCGESW-UHFFFAOYSA-N -1 1 316.365 3.179 20 30 DGEDMM C=CC(C)(C)CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588487411 1192448715 /nfs/dbraw/zinc/44/87/15/1192448715.db2.gz QWBJQMJTNCGESW-UHFFFAOYSA-N -1 1 316.365 3.179 20 30 DGEDMM C=CCCC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001588594482 1192451221 /nfs/dbraw/zinc/45/12/21/1192451221.db2.gz UCVNSTRSWUJNGL-CQSZACIVSA-N -1 1 321.388 3.166 20 30 DGEDMM C=CCCC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588594482 1192451227 /nfs/dbraw/zinc/45/12/27/1192451227.db2.gz UCVNSTRSWUJNGL-CQSZACIVSA-N -1 1 321.388 3.166 20 30 DGEDMM C=CCCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001588594247 1192451743 /nfs/dbraw/zinc/45/17/43/1192451743.db2.gz RBXOGYBPTQGBAD-CQSZACIVSA-N -1 1 321.388 3.166 20 30 DGEDMM C=CCCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001588594247 1192451745 /nfs/dbraw/zinc/45/17/45/1192451745.db2.gz RBXOGYBPTQGBAD-CQSZACIVSA-N -1 1 321.388 3.166 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](C)CC[C@@H]2C)o1 ZINC001590228643 1192494229 /nfs/dbraw/zinc/49/42/29/1192494229.db2.gz ZBQIKAISQURNIB-UWVGGRQHSA-N -1 1 317.397 3.202 20 30 DGEDMM Cc1ccc([C@H](NCc2cc(C#N)ccc2F)C(=O)[O-])cc1C ZINC001600383962 1192839996 /nfs/dbraw/zinc/83/99/96/1192839996.db2.gz CLEGDEBWVXOFRA-KRWDZBQOSA-N -1 1 312.344 3.230 20 30 DGEDMM N#Cc1c(CN2CCC[C@@H](c3ccccn3)C2)cccc1C(=O)[O-] ZINC001601082443 1192916633 /nfs/dbraw/zinc/91/66/33/1192916633.db2.gz UTVSMWSHKWMGFN-OAHLLOKOSA-N -1 1 321.380 3.031 20 30 DGEDMM N#Cc1c(CN2CC3CC2(c2ccccc2)C3)cccc1C(=O)[O-] ZINC001601081433 1192916679 /nfs/dbraw/zinc/91/66/79/1192916679.db2.gz LKSFLAJNJJQYIC-UHFFFAOYSA-N -1 1 318.376 3.378 20 30 DGEDMM O=C([O-])c1c(F)cccc1NN=Cc1ccc(C(F)(F)F)[nH]1 ZINC001602230353 1192963796 /nfs/dbraw/zinc/96/37/96/1192963796.db2.gz FVSMAAJEMKDFAR-UHFFFAOYSA-N -1 1 315.226 3.317 20 30 DGEDMM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001346994942 1179766929 /nfs/dbraw/zinc/76/69/29/1179766929.db2.gz DLKXQEMHIUZIJG-GFCCVEGCSA-N -1 1 318.776 3.193 20 30 DGEDMM CC(C)C[C@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001603259176 1193013205 /nfs/dbraw/zinc/01/32/05/1193013205.db2.gz BLWLWUHUEVIRQL-JTQLQIEISA-N -1 1 305.386 3.058 20 30 DGEDMM CCN(C(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C#N)cc1 ZINC001354119246 1180724671 /nfs/dbraw/zinc/72/46/71/1180724671.db2.gz OWUNKWYWYYVKKS-UHFFFAOYSA-N -1 1 317.348 3.066 20 30 DGEDMM CCCCCCC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604176728 1193058605 /nfs/dbraw/zinc/05/86/05/1193058605.db2.gz XQSPEFFAKQTTOB-LBPRGKRZSA-N -1 1 319.409 3.186 20 30 DGEDMM CCCCCCC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604176728 1193058606 /nfs/dbraw/zinc/05/86/06/1193058606.db2.gz XQSPEFFAKQTTOB-LBPRGKRZSA-N -1 1 319.409 3.186 20 30 DGEDMM C=C(C)[C@@H](NC(=O)c1ncccc1[O-])c1ccc(F)c(F)c1 ZINC001447969749 1182199664 /nfs/dbraw/zinc/19/96/64/1182199664.db2.gz IZHGUDOZDRHUGP-CQSZACIVSA-N -1 1 304.296 3.113 20 30 DGEDMM N#Cc1ccccc1C(F)(F)C(=O)Nc1cc([O-])c(F)cc1F ZINC001450903904 1182258775 /nfs/dbraw/zinc/25/87/75/1182258775.db2.gz ZZRZKGIUNGVZOS-UHFFFAOYSA-N -1 1 324.233 3.273 20 30 DGEDMM C#Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001451442571 1182270082 /nfs/dbraw/zinc/27/00/82/1182270082.db2.gz QOISEPOWIUDEEN-UHFFFAOYSA-N -1 1 319.282 3.322 20 30 DGEDMM Cc1ccc(C#N)cc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001455455254 1182371235 /nfs/dbraw/zinc/37/12/35/1182371235.db2.gz YZOFFWPIFQPXKX-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM Cc1ccc2c(c1)CC[C@H](C(=O)N([O-])Cc1ccc(F)cc1)O2 ZINC001458029738 1182491084 /nfs/dbraw/zinc/49/10/84/1182491084.db2.gz UQTLSIXRJXNQOD-QGZVFWFLSA-N -1 1 315.344 3.246 20 30 DGEDMM C#CCC1([N-]S(=O)(=O)c2sccc2Cl)CCCCC1 ZINC001464624640 1183104220 /nfs/dbraw/zinc/10/42/20/1183104220.db2.gz WRLQCHPGNLFADF-UHFFFAOYSA-N -1 1 317.863 3.406 20 30 DGEDMM C=CCOc1ccc(CNC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001467888228 1183296138 /nfs/dbraw/zinc/29/61/38/1183296138.db2.gz GXYLZUGOXRKASC-UHFFFAOYSA-N -1 1 301.317 3.026 20 30 DGEDMM CCc1ccc(C#CC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001468747602 1183355247 /nfs/dbraw/zinc/35/52/47/1183355247.db2.gz IHGKXGJPZVQEIS-UHFFFAOYSA-N -1 1 301.292 3.223 20 30 DGEDMM C#Cc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC001469005524 1183375575 /nfs/dbraw/zinc/37/55/75/1183375575.db2.gz WRDXTSNKDAHAFT-UHFFFAOYSA-N -1 1 301.345 3.457 20 30 DGEDMM COc1ccc(C=NNc2cccc(F)c2C(=O)[O-])cc1C ZINC001607242885 1193220065 /nfs/dbraw/zinc/22/00/65/1193220065.db2.gz VZVWEGVAQCUZGO-UHFFFAOYSA-N -1 1 302.305 3.287 20 30 DGEDMM N#Cc1ccc(C2(NC(=O)c3cc(F)ccc3[O-])CCC2)cc1 ZINC001469494852 1183412682 /nfs/dbraw/zinc/41/26/82/1183412682.db2.gz LAMBRYHKWLQDIG-UHFFFAOYSA-N -1 1 310.328 3.212 20 30 DGEDMM Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)oc1C(=O)[O-] ZINC001607648520 1193244870 /nfs/dbraw/zinc/24/48/70/1193244870.db2.gz URWVZVTVAOBISV-UHFFFAOYSA-N -1 1 310.353 3.327 20 30 DGEDMM N#CC(C(=O)c1ccc(C(=O)[O-])o1)c1ccc2ccccc2n1 ZINC001608169711 1193279867 /nfs/dbraw/zinc/27/98/67/1193279867.db2.gz BNUKNGQHFLAWLZ-NSHDSACASA-N -1 1 306.277 3.016 20 30 DGEDMM N#Cc1ccc(C2=CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC001608203867 1193283103 /nfs/dbraw/zinc/28/31/03/1193283103.db2.gz KVRUGWGPZZDCAJ-UHFFFAOYSA-N -1 1 308.337 3.139 20 30 DGEDMM O=C([O-])c1c(F)cccc1NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC001608828789 1193306038 /nfs/dbraw/zinc/30/60/38/1193306038.db2.gz XJHKEVQZEYYBPL-UHFFFAOYSA-N -1 1 324.315 3.360 20 30 DGEDMM CCCn1nc(C)c(CN=Nc2cccc(C(=O)[O-])c2F)c1C ZINC001609989994 1193371129 /nfs/dbraw/zinc/37/11/29/1193371129.db2.gz QFVWFDCYSBYEID-UHFFFAOYSA-N -1 1 318.352 3.193 20 30 DGEDMM CN(Cc1ccc(Cl)cc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC001610122179 1193377605 /nfs/dbraw/zinc/37/76/05/1193377605.db2.gz KPAUMCMBTCDUPL-MRXNPFEDSA-N -1 1 314.772 3.469 20 30 DGEDMM Cc1oc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001610586095 1193399768 /nfs/dbraw/zinc/39/97/68/1193399768.db2.gz PHMPRUJASRDEQK-QGZVFWFLSA-N -1 1 310.353 3.325 20 30 DGEDMM O=C([O-])c1ccc(N=NCc2csc(C3CC3)n2)c(F)c1 ZINC001610835947 1193412013 /nfs/dbraw/zinc/41/20/13/1193412013.db2.gz ZQJORVFDOKQAHD-UHFFFAOYSA-N -1 1 305.334 3.304 20 30 DGEDMM Cc1cc(C#N)cc(C)c1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001611638652 1193438390 /nfs/dbraw/zinc/43/83/90/1193438390.db2.gz ICCWQIFPIUTNPM-UHFFFAOYSA-N -1 1 314.772 3.464 20 30 DGEDMM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1C1CCCC1 ZINC001524711799 1187262072 /nfs/dbraw/zinc/26/20/72/1187262072.db2.gz JUDOBEZWHGBUOC-CYBMUJFWSA-N -1 1 312.348 3.331 20 30 DGEDMM N#CC(=C([O-])c1ccnn1C1CCC1)c1nc(C2CC2)cs1 ZINC001525872385 1187337718 /nfs/dbraw/zinc/33/77/18/1187337718.db2.gz DKALSSAXLGKGIW-LBPRGKRZSA-N -1 1 312.398 3.432 20 30 DGEDMM CCCCCCCCCNC(=O)c1cnc(SC)[n-]c1=O ZINC001540682855 1188253933 /nfs/dbraw/zinc/25/39/33/1188253933.db2.gz BMOGMEOLTWUQAO-UHFFFAOYSA-N -1 1 311.451 3.385 20 30 DGEDMM C=CCOc1ccc(CNC(=O)c2cccc([O-])c2F)cc1 ZINC001556539153 1189006015 /nfs/dbraw/zinc/00/60/15/1189006015.db2.gz PQFUCWAKISDMCO-UHFFFAOYSA-N -1 1 301.317 3.026 20 30 DGEDMM CCc1ccc(C#CC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001557087058 1189040313 /nfs/dbraw/zinc/04/03/13/1189040313.db2.gz RZXGWPFLDLIBOF-UHFFFAOYSA-N -1 1 301.292 3.223 20 30 DGEDMM Cc1cccc(C(=O)C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001559033938 1189163702 /nfs/dbraw/zinc/16/37/02/1189163702.db2.gz GCMVNNUUMDMPQR-UHFFFAOYSA-N -1 1 303.745 3.249 20 30 DGEDMM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC001622519802 1193903685 /nfs/dbraw/zinc/90/36/85/1193903685.db2.gz RCJXQMRYUDUACR-YEORSEQZSA-N -1 1 321.373 3.042 20 30 DGEDMM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC001622524115 1193904276 /nfs/dbraw/zinc/90/42/76/1193904276.db2.gz OUMSOTPIGDFUOK-UHFFFAOYSA-N -1 1 303.374 3.236 20 30 DGEDMM C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(C#N)cc1 ZINC001629706088 1194248639 /nfs/dbraw/zinc/24/86/39/1194248639.db2.gz MUMJUWQPSKVESU-LBPRGKRZSA-N -1 1 317.348 3.303 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1[O-] ZINC001633042591 1194418748 /nfs/dbraw/zinc/41/87/48/1194418748.db2.gz NELDXFYDEPKUMX-DZGCQCFKSA-N -1 1 312.756 3.203 20 30 DGEDMM N#Cc1ccccc1/C=C/C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001633819430 1194458114 /nfs/dbraw/zinc/45/81/14/1194458114.db2.gz WDWUEMITBMXTDU-SOFGYWHQSA-N -1 1 312.756 3.247 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)c2cc(F)c(Cl)cc2F)c1 ZINC001635506814 1194555464 /nfs/dbraw/zinc/55/54/64/1194555464.db2.gz UVAVZDFXFKVUQS-UHFFFAOYSA-N -1 1 308.671 3.214 20 30 DGEDMM C#C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001637345331 1194664298 /nfs/dbraw/zinc/66/42/98/1194664298.db2.gz MSAHEWTXXUFITA-CQSZACIVSA-N -1 1 303.720 3.289 20 30 DGEDMM C=CCCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001638609042 1194727459 /nfs/dbraw/zinc/72/74/59/1194727459.db2.gz IYSCYAICDXQQHO-UHFFFAOYSA-N -1 1 306.753 3.126 20 30 DGEDMM C=CCCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001638609042 1194727461 /nfs/dbraw/zinc/72/74/61/1194727461.db2.gz IYSCYAICDXQQHO-UHFFFAOYSA-N -1 1 306.753 3.126 20 30 DGEDMM O=C([C@@H]1Cc2cc(F)ccc2O1)N([O-])Cc1ccccc1Cl ZINC001641857758 1194875317 /nfs/dbraw/zinc/87/53/17/1194875317.db2.gz GHPSQIUXUBPDKJ-HNNXBMFYSA-N -1 1 321.735 3.201 20 30 DGEDMM CSc1ccc([O-])c(C(=O)N2CCc3c2cccc3C#N)c1 ZINC001643199077 1195002717 /nfs/dbraw/zinc/00/27/17/1195002717.db2.gz MFJGFEHQTCHMEF-UHFFFAOYSA-N -1 1 310.378 3.189 20 30 DGEDMM Cc1cc(C#N)ccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001644052576 1195078088 /nfs/dbraw/zinc/07/80/88/1195078088.db2.gz YMYYQRHYMANEHY-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM C=CCC1(C(=O)NCCc2c(F)cc([O-])cc2F)CCCC1 ZINC001645290368 1195172397 /nfs/dbraw/zinc/17/23/97/1195172397.db2.gz UBHVXFYGRYWWLN-UHFFFAOYSA-N -1 1 309.356 3.466 20 30 DGEDMM C[C@H](CCOc1ccccc1)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001648729689 1195326380 /nfs/dbraw/zinc/32/63/80/1195326380.db2.gz 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/nfs/dbraw/zinc/68/90/69/431689069.db2.gz UJQJEKOZLIGAHH-CMDGGOBGSA-N -1 1 314.337 3.314 20 30 DGEDMM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nc2ccccc2[nH]1 ZINC000121305862 431770522 /nfs/dbraw/zinc/77/05/22/431770522.db2.gz STEPLOSCFIAXTN-ZDUSSCGKSA-N -1 1 319.368 3.365 20 30 DGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000125244855 431918627 /nfs/dbraw/zinc/91/86/27/431918627.db2.gz RIFLHCOKZURVQO-UHFFFAOYSA-N -1 1 315.398 3.099 20 30 DGEDMM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000046439660 431897478 /nfs/dbraw/zinc/89/74/78/431897478.db2.gz FYYZGONHZBXUMR-LLVKDONJSA-N -1 1 301.689 3.133 20 30 DGEDMM N#CC(=C([O-])c1ccc(Br)s1)c1ccccn1 ZINC000046705620 431899561 /nfs/dbraw/zinc/89/95/61/431899561.db2.gz SMGATHFYSQQGHJ-QMMMGPOBSA-N -1 1 307.172 3.396 20 30 DGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193356947 432467858 /nfs/dbraw/zinc/46/78/58/432467858.db2.gz XDEQJWDYNWAMHB-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000263382457 432537347 /nfs/dbraw/zinc/53/73/47/432537347.db2.gz CBXWTFVRDQMSDP-UHFFFAOYSA-N -1 1 315.369 3.048 20 30 DGEDMM C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000263382457 432537351 /nfs/dbraw/zinc/53/73/51/432537351.db2.gz CBXWTFVRDQMSDP-UHFFFAOYSA-N -1 1 315.369 3.048 20 30 DGEDMM C#CCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)C1CCCC1 ZINC000186861240 432633497 /nfs/dbraw/zinc/63/34/97/432633497.db2.gz XSRWHOZMCZGPQC-UHFFFAOYSA-N -1 1 321.804 3.462 20 30 DGEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000187246507 432653810 /nfs/dbraw/zinc/65/38/10/432653810.db2.gz ZZUWOVQRRVHFHM-UHFFFAOYSA-N -1 1 300.383 3.116 20 30 DGEDMM CC(C)(CCc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188095447 432704341 /nfs/dbraw/zinc/70/43/41/432704341.db2.gz YOXKIALLDAGHEV-UHFFFAOYSA-N -1 1 308.381 3.405 20 30 DGEDMM N#Cc1ccc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)cc1[O-] ZINC000188800230 432747709 /nfs/dbraw/zinc/74/77/09/432747709.db2.gz 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434116818 /nfs/dbraw/zinc/11/68/18/434116818.db2.gz IOBRBBXBEUPYMZ-UHFFFAOYSA-N -1 1 310.353 3.477 20 30 DGEDMM CCc1nc(SCCOc2cccc(C#N)c2)[n-]c(=O)c1C ZINC000581321757 324105787 /nfs/dbraw/zinc/10/57/87/324105787.db2.gz XYEBDYRKSLDGJS-UHFFFAOYSA-N -1 1 315.398 3.096 20 30 DGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000519012579 335780190 /nfs/dbraw/zinc/78/01/90/335780190.db2.gz QRIYPIDZHTZOTI-UHFFFAOYSA-N -1 1 321.373 3.500 20 30 DGEDMM N#CCc1ccnc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000532437969 336247283 /nfs/dbraw/zinc/24/72/83/336247283.db2.gz SEIWGEVOXLTYRG-UHFFFAOYSA-N -1 1 303.321 3.259 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1F ZINC000193357084 340576592 /nfs/dbraw/zinc/57/65/92/340576592.db2.gz PDIPISSWDKTOON-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193355283 340576661 /nfs/dbraw/zinc/57/66/61/340576661.db2.gz XXECZKBQNVYNAG-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM CC(C)COc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 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CC(C)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000676458189 548363746 /nfs/dbraw/zinc/36/37/46/548363746.db2.gz CUUHRTMXJFYIJG-AWEZNQCLSA-N -1 1 323.400 3.013 20 30 DGEDMM N#CC(=C([O-])c1ccn(C(F)F)n1)c1ccc2ccccc2n1 ZINC000678922632 548792370 /nfs/dbraw/zinc/79/23/70/548792370.db2.gz WRQXTSPNAZSQHX-LLVKDONJSA-N -1 1 312.279 3.316 20 30 DGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681020408 549147471 /nfs/dbraw/zinc/14/74/71/549147471.db2.gz YDTSCYLRDHZLPO-UHFFFAOYSA-N -1 1 315.344 3.368 20 30 DGEDMM C#CCOc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000731010923 574541650 /nfs/dbraw/zinc/54/16/50/574541650.db2.gz BBVFMZXCIKBDBC-UHFFFAOYSA-N -1 1 321.336 3.242 20 30 DGEDMM CC[C@@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000736395631 574747556 /nfs/dbraw/zinc/74/75/56/574747556.db2.gz JCNGJMRPKLCGAU-SNVBAGLBSA-N -1 1 317.397 3.346 20 30 DGEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(C(=O)[O-])c3)[nH]c21 ZINC000738747611 574880884 /nfs/dbraw/zinc/88/08/84/574880884.db2.gz ZOEXGDDDEUMVLB-CYBMUJFWSA-N -1 1 319.320 3.060 20 30 DGEDMM Cc1csc(C(C#N)C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000738813618 574883225 /nfs/dbraw/zinc/88/32/25/574883225.db2.gz BENDUKWHSQBOAW-LLVKDONJSA-N -1 1 301.327 3.032 20 30 DGEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000739074415 574890958 /nfs/dbraw/zinc/89/09/58/574890958.db2.gz IZCJSIZZERZTHR-LBPRGKRZSA-N -1 1 321.292 3.408 20 30 DGEDMM Cc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000744028680 575069156 /nfs/dbraw/zinc/06/91/56/575069156.db2.gz NJLGOLWREJXZSW-VIFPVBQESA-N -1 1 319.773 3.066 20 30 DGEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000748411237 575585089 /nfs/dbraw/zinc/58/50/89/575585089.db2.gz ZELSVGLWALFIOM-UHFFFAOYSA-N -1 1 318.336 3.215 20 30 DGEDMM COc1cc2c(c(/C=C3\Oc4cc([O-])ccc4C3=O)c1)O[C@@H](C)C2 ZINC000728439858 576182102 /nfs/dbraw/zinc/18/21/02/576182102.db2.gz PRBOXVKJCJPKIP-QBHXNYKNSA-N -1 1 324.332 3.340 20 30 DGEDMM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(Cl)cc1Cl ZINC000917555869 620675425 /nfs/dbraw/zinc/67/54/25/620675425.db2.gz QCTOYLGXUWAGOW-UHFFFAOYSA-N -1 1 321.171 3.496 20 30 DGEDMM C[C@H]1CCCCN1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000853380794 620690895 /nfs/dbraw/zinc/69/08/95/620690895.db2.gz WVMGEWQHJLNNIH-VIFPVBQESA-N -1 1 313.195 3.069 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cnc(C(C)(C)C)nc1)O2 ZINC000840718632 619040765 /nfs/dbraw/zinc/04/07/65/619040765.db2.gz NMDBLDCRAPAADI-NSIKDUERSA-N -1 1 310.353 3.404 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c1 ZINC000898414385 619272426 /nfs/dbraw/zinc/27/24/26/619272426.db2.gz KXWRMKKVCVBQHU-QGZVFWFLSA-N -1 1 319.364 3.026 20 30 DGEDMM O=C(COc1ccc(O)cc1)N([O-])Cc1cccc2ccccc21 ZINC000900092163 619404129 /nfs/dbraw/zinc/40/41/29/619404129.db2.gz ZZUJNHYBKAUTSF-UHFFFAOYSA-N -1 1 323.348 3.342 20 30 DGEDMM C[C@@H](Oc1ccc(F)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094525 619404210 /nfs/dbraw/zinc/40/42/10/619404210.db2.gz OLJKZHCNTQFKJK-LLVKDONJSA-N -1 1 307.296 3.150 20 30 DGEDMM 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/nfs/dbraw/zinc/84/56/82/620845682.db2.gz ADYNVFSNEZVIOU-UHFFFAOYSA-N -1 1 311.838 3.176 20 30 DGEDMM Cn1c2ccccc2nc1NN=Cc1ccc([O-])c(Cl)c1 ZINC000921258441 620845870 /nfs/dbraw/zinc/84/58/70/620845870.db2.gz UKUBMCSWYBDQQN-UHFFFAOYSA-N -1 1 300.749 3.378 20 30 DGEDMM CCSc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000755462697 620882443 /nfs/dbraw/zinc/88/24/43/620882443.db2.gz BXUMWTJQAKJICC-UHFFFAOYSA-N -1 1 302.403 3.439 20 30 DGEDMM CC(=NO[C@H]1CCCCO1)c1ccc(Br)cc1[O-] ZINC000755814589 620891802 /nfs/dbraw/zinc/89/18/02/620891802.db2.gz MXYQROPYBHJOTE-ZDUSSCGKSA-N -1 1 314.179 3.422 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000121339306 621268645 /nfs/dbraw/zinc/26/86/45/621268645.db2.gz KJFLONGELXVBRX-VQHVLOKHSA-N -1 1 309.300 3.008 20 30 DGEDMM O=C([O-])c1ccc(N=NC2CCN(Cc3ccccc3)C2)cc1 ZINC000839381298 621365460 /nfs/dbraw/zinc/36/54/60/621365460.db2.gz HQMHJFJWEXCKED-UHFFFAOYSA-N -1 1 309.369 3.059 20 30 DGEDMM Cc1ccnc(NN=Cc2ccc([O-])c(Br)c2)c1 ZINC000755901421 621601705 /nfs/dbraw/zinc/60/17/05/621601705.db2.gz FOMWFJXRQOCPCF-UHFFFAOYSA-N -1 1 306.163 3.304 20 30 DGEDMM Cn1c(=O)oc2cc(/C=C3\CCc4cc([O-])ccc4C3=O)ccc21 ZINC000756634598 621654794 /nfs/dbraw/zinc/65/47/94/621654794.db2.gz ZZOLPUZETMCEBI-MDWZMJQESA-N -1 1 321.332 3.050 20 30 DGEDMM C[C@](C#N)([N-]C(=O)C(F)(F)c1nccs1)C1CCCCC1 ZINC000756722030 621660155 /nfs/dbraw/zinc/66/01/55/621660155.db2.gz UNHMPNLNAHUDLY-CYBMUJFWSA-N -1 1 313.373 3.214 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cccc(F)c2F)c1 ZINC000757472526 621714788 /nfs/dbraw/zinc/71/47/88/621714788.db2.gz JVAKUTYQDPXMPU-GQCTYLIASA-N -1 1 304.248 3.265 20 30 DGEDMM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccccc2O)c1 ZINC000757476648 621716003 /nfs/dbraw/zinc/71/60/03/621716003.db2.gz YANDRSDQINFHRF-HJWRWDBZSA-N -1 1 312.321 3.142 20 30 DGEDMM [O-]c1c(F)cccc1C=NNc1cncc(Br)c1 ZINC000758122479 621759789 /nfs/dbraw/zinc/75/97/89/621759789.db2.gz LQRKTWFDSKDOQO-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM N#Cc1cc(COC(=O)c2c([O-])cc(F)cc2F)ccc1F ZINC000758938145 621812662 /nfs/dbraw/zinc/81/26/62/621812662.db2.gz VJLWAEOBOLSBAB-UHFFFAOYSA-N -1 1 307.227 3.038 20 30 DGEDMM O=C([O-])c1ccccc1N=NC1CSCCc2ccccc21 ZINC000759195756 621835190 /nfs/dbraw/zinc/83/51/90/621835190.db2.gz FDMROYGLKIFAIW-UHFFFAOYSA-N -1 1 312.394 3.490 20 30 DGEDMM N#Cc1ccc2[nH]cc(CN=Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000760218649 621922241 /nfs/dbraw/zinc/92/22/41/621922241.db2.gz NYSXNBYANISPGG-UHFFFAOYSA-N -1 1 304.309 3.184 20 30 DGEDMM CCCC[C@H](CC)CC=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000760250511 621924396 /nfs/dbraw/zinc/92/43/96/621924396.db2.gz OEPWCJTUGCZDKC-ZDUSSCGKSA-N -1 1 321.446 3.317 20 30 DGEDMM COc1ccc(OC)c(C(=O)/C=C/c2ccc([O-])c(F)c2)c1 ZINC000120692215 621980289 /nfs/dbraw/zinc/98/02/89/621980289.db2.gz KMAQPJZXYHCJAG-ZZXKWVIFSA-N -1 1 302.301 3.445 20 30 DGEDMM Cc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1C(=O)N(C)C ZINC000866334197 622095642 /nfs/dbraw/zinc/09/56/42/622095642.db2.gz UUCSEVAHHYYUKZ-ZDUSSCGKSA-N -1 1 323.396 3.447 20 30 DGEDMM N#Cc1cccc(NCc2cccc(Br)c2[O-])n1 ZINC000764934807 622233919 /nfs/dbraw/zinc/23/39/19/622233919.db2.gz MMTIWSGRERIYOZ-UHFFFAOYSA-N -1 1 304.147 3.033 20 30 DGEDMM CC(=NNC(=S)NC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765995435 622299181 /nfs/dbraw/zinc/29/91/81/622299181.db2.gz TXRABFBKVHUKSM-UHFFFAOYSA-N -1 1 318.229 3.050 20 30 DGEDMM CON=C(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000767478221 622401526 /nfs/dbraw/zinc/40/15/26/622401526.db2.gz PIIUVJJUXIZBCR-UHFFFAOYSA-N -1 1 318.398 3.166 20 30 DGEDMM N#Cc1cc(Cl)nc(NN=Cc2c([O-])cccc2Cl)c1 ZINC000768380672 622453551 /nfs/dbraw/zinc/45/35/51/622453551.db2.gz SKNHIPQTLSMXTR-UHFFFAOYSA-N -1 1 307.140 3.412 20 30 DGEDMM CC(=NNCCC(=O)OC(C)(C)C)c1ccc([O-])c(Cl)c1 ZINC000768781879 622476714 /nfs/dbraw/zinc/47/67/14/622476714.db2.gz PFLUGOMRIQHNCS-UHFFFAOYSA-N -1 1 312.797 3.091 20 30 DGEDMM O=C1c2ccccc2CCN1N=Cc1ccc([O-])c(Cl)c1 ZINC000769591561 622542507 /nfs/dbraw/zinc/54/25/07/622542507.db2.gz AQEJUNWQPDXSEV-UHFFFAOYSA-N -1 1 300.745 3.078 20 30 DGEDMM CC[C@@H]1CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769811928 622563333 /nfs/dbraw/zinc/56/33/33/622563333.db2.gz FULHBKYKCMMNKK-SNVBAGLBSA-N -1 1 316.409 3.265 20 30 DGEDMM [O-]c1c(C=NNC2CCOCC2)cc(Cl)c2ccccc12 ZINC000774588259 623163676 /nfs/dbraw/zinc/16/36/76/623163676.db2.gz ZWTDOURXEASZMH-UHFFFAOYSA-N -1 1 304.777 3.301 20 30 DGEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000873828375 623214554 /nfs/dbraw/zinc/21/45/54/623214554.db2.gz PMUBXPCAKQDLTJ-UHFFFAOYSA-N -1 1 320.352 3.407 20 30 DGEDMM Cc1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C#N)n1 ZINC000882126156 625642209 /nfs/dbraw/zinc/64/22/09/625642209.db2.gz UVKGKAUANFYROS-UHFFFAOYSA-N -1 1 321.380 3.067 20 30 DGEDMM Cc1nc(SCCCOc2ccc(C#N)cc2)[n-]c(=O)c1C ZINC000776864798 623472826 /nfs/dbraw/zinc/47/28/26/623472826.db2.gz TVENIUHDTTUJPE-UHFFFAOYSA-N -1 1 315.398 3.232 20 30 DGEDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1F)c1cc(O)ccc1[O-] ZINC000777918947 623585353 /nfs/dbraw/zinc/58/53/53/623585353.db2.gz NYMLVFKDKZRLNG-DJWKRKHSSA-N -1 1 303.245 3.041 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccnn1-c1ccccc1 ZINC000790609173 625677695 /nfs/dbraw/zinc/67/76/95/625677695.db2.gz JMHNYJIAUJSCJX-SDNWHVSQSA-N -1 1 302.333 3.400 20 30 DGEDMM Cn1c(Cl)nc(Cl)c1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000780187443 623874734 /nfs/dbraw/zinc/87/47/34/623874734.db2.gz DYVXHEWOPXCPPT-SOFGYWHQSA-N -1 1 309.152 3.255 20 30 DGEDMM C#CCCCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000780264231 623899700 /nfs/dbraw/zinc/89/97/00/623899700.db2.gz MVIWAXBYBCIDEF-UHFFFAOYSA-N -1 1 314.337 3.126 20 30 DGEDMM N#Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780365723 623917091 /nfs/dbraw/zinc/91/70/91/623917091.db2.gz OWYVODSRELJHQE-UHFFFAOYSA-N -1 1 308.309 3.297 20 30 DGEDMM CC(C)(C)CCNN=Cc1cc(O)c([O-])c(Br)c1 ZINC000782903561 624289398 /nfs/dbraw/zinc/28/93/98/624289398.db2.gz XOPVIAUAHNLWFM-UHFFFAOYSA-N -1 1 315.211 3.220 20 30 DGEDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@](C)(C#N)C2)c1[O-] ZINC000784452914 624526527 /nfs/dbraw/zinc/52/65/27/624526527.db2.gz FSCZRBGFHHKZGN-MRXNPFEDSA-N -1 1 306.793 3.374 20 30 DGEDMM CC(=NN[C@H](CO)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000788470379 625188318 /nfs/dbraw/zinc/18/83/18/625188318.db2.gz WYUJUEPRHUWDCU-OAHLLOKOSA-N -1 1 304.777 3.093 20 30 DGEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cncs1 ZINC000796749251 626078362 /nfs/dbraw/zinc/07/83/62/626078362.db2.gz YIZAGNVCIMLSHQ-ZDUSSCGKSA-N -1 1 321.361 3.257 20 30 DGEDMM Cc1cc(=O)[n-]c(N=NC2CCC[C@@H](c3ncccc3C)C2)n1 ZINC000799105170 626272120 /nfs/dbraw/zinc/27/21/20/626272120.db2.gz NWOVNDAAWMWHKJ-CYBMUJFWSA-N -1 1 311.389 3.320 20 30 DGEDMM COc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)ccc1C#N ZINC000799497031 626305622 /nfs/dbraw/zinc/30/56/22/626305622.db2.gz DNBJDOMEQJBXPO-RIYZIHGNSA-N -1 1 305.333 3.485 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(C)c(C)o1 ZINC000799885269 626333609 /nfs/dbraw/zinc/33/36/09/626333609.db2.gz SQHZLTSVPMCVED-UHFFFAOYSA-N -1 1 302.330 3.439 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C\c2ccc3c(c2)nnn3C)c([O-])c1 ZINC000799895248 626334180 /nfs/dbraw/zinc/33/41/80/626334180.db2.gz NATMLTXGZLPRDG-ALCCZGGFSA-N -1 1 307.353 3.187 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cn2c(n1)CCCC2 ZINC000806565942 626722252 /nfs/dbraw/zinc/72/22/52/626722252.db2.gz VEPNJMGMMLDVJD-FNORWQNLSA-N -1 1 302.761 3.475 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC1CCc2ccc(C#N)cc21 ZINC000811645787 627298912 /nfs/dbraw/zinc/29/89/12/627298912.db2.gz CKLUHOGMZLXECB-UHFFFAOYSA-N -1 1 321.336 3.027 20 30 DGEDMM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1nc(C#N)cs1 ZINC000811687530 627305397 /nfs/dbraw/zinc/30/53/97/627305397.db2.gz GRGWFIIPGCRXLB-YHESJLBYSA-N -1 1 300.314 3.243 20 30 DGEDMM COc1ccc(OC)c(C(C)N=Nc2ccccc2C(=O)[O-])c1 ZINC000812441980 627386912 /nfs/dbraw/zinc/38/69/12/627386912.db2.gz KYQBFDOZZOZPCZ-UHFFFAOYSA-N -1 1 314.341 3.238 20 30 DGEDMM CCC(N=Nc1nc2ccccc2c(=O)[n-]1)c1cccc(N)c1 ZINC000814868699 627600441 /nfs/dbraw/zinc/60/04/41/627600441.db2.gz DZERZNHGXQYXBY-UHFFFAOYSA-N -1 1 307.357 3.144 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ncc(C(C)C)s1 ZINC000814887243 627603265 /nfs/dbraw/zinc/60/32/65/627603265.db2.gz KBIQIGJSGQNGSJ-UHFFFAOYSA-N -1 1 319.386 3.419 20 30 DGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC2(C)C)o1 ZINC000820590687 628276186 /nfs/dbraw/zinc/27/61/86/628276186.db2.gz YAIIQHJSLWZCOV-UHFFFAOYSA-N -1 1 317.397 3.130 20 30 DGEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000821320548 628356301 /nfs/dbraw/zinc/35/63/01/628356301.db2.gz RFTVCASKALCPMR-GFCCVEGCSA-N -1 1 322.345 3.485 20 30 DGEDMM Cc1cc(C)c(NN=Cc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822194449 628428370 /nfs/dbraw/zinc/42/83/70/628428370.db2.gz XQXWMQZRPJTQGN-UHFFFAOYSA-N -1 1 312.402 3.299 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2C(C)C)o1 ZINC000824352531 628653886 /nfs/dbraw/zinc/65/38/86/628653886.db2.gz HGZKYOKPWGEPQE-SNVBAGLBSA-N -1 1 317.397 3.202 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000826052909 628823358 /nfs/dbraw/zinc/82/33/58/628823358.db2.gz HEIAXWNPZIQXEV-PXAZEXFGSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826268803 628836464 /nfs/dbraw/zinc/83/64/64/628836464.db2.gz OFXGYFMDAQREMG-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826268803 628836467 /nfs/dbraw/zinc/83/64/67/628836467.db2.gz OFXGYFMDAQREMG-HWKANZROSA-N -1 1 314.345 3.272 20 30 DGEDMM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400630 628851475 /nfs/dbraw/zinc/85/14/75/628851475.db2.gz CYOMBQLJIHGVHR-DUXPYHPUSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400630 628851477 /nfs/dbraw/zinc/85/14/77/628851477.db2.gz CYOMBQLJIHGVHR-DUXPYHPUSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400378 628851659 /nfs/dbraw/zinc/85/16/59/628851659.db2.gz XYJCQYQXHWRAEL-OWOJBTEDSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400378 628851661 /nfs/dbraw/zinc/85/16/61/628851661.db2.gz XYJCQYQXHWRAEL-OWOJBTEDSA-N -1 1 318.308 3.103 20 30 DGEDMM COc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832595562 629499153 /nfs/dbraw/zinc/49/91/53/629499153.db2.gz MHNLGRFDRYFBBW-SJKOYZFVSA-N -1 1 310.353 3.043 20 30 DGEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1cccc(Cl)c1F ZINC000833406192 629599584 /nfs/dbraw/zinc/59/95/84/629599584.db2.gz LOHGDLOISROEGT-VIFPVBQESA-N -1 1 309.728 3.372 20 30 DGEDMM [O-]c1cccc(C=NO[C@H]2CCCCO2)c1Br ZINC000841634396 630449920 /nfs/dbraw/zinc/44/99/20/630449920.db2.gz YODRCOSGBXZYLZ-NSHDSACASA-N -1 1 300.152 3.032 20 30 DGEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(C)nn(CCCC)c1Cl ZINC000841810662 630467125 /nfs/dbraw/zinc/46/71/25/630467125.db2.gz KCNRLMKPQYTHGT-LBPRGKRZSA-N -1 1 313.829 3.154 20 30 DGEDMM C#CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000843998761 630706075 /nfs/dbraw/zinc/70/60/75/630706075.db2.gz HYSAKGTZUMBJLN-NSHDSACASA-N -1 1 322.202 3.030 20 30 DGEDMM CC(=NOC1CCOCC1)c1ccc([O-])c(Br)c1 ZINC000844592813 630741757 /nfs/dbraw/zinc/74/17/57/630741757.db2.gz IVDZCKPFXJSJOY-UHFFFAOYSA-N -1 1 314.179 3.074 20 30 DGEDMM CCOc1ccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)cc1 ZINC000844599410 630742285 /nfs/dbraw/zinc/74/22/85/630742285.db2.gz FEWGCTYTKLYGCE-UHFFFAOYSA-N -1 1 322.368 3.210 20 30 DGEDMM C=CCC(CC=C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121587879 631197698 /nfs/dbraw/zinc/19/76/98/631197698.db2.gz NZDUGESHKKFZEK-UHFFFAOYSA-N -1 1 311.179 3.257 20 30 DGEDMM Cc1ccc([C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)o1 ZINC000847220551 631441524 /nfs/dbraw/zinc/44/15/24/631441524.db2.gz KNEKWAYDZTYPDB-RQJHMYQMSA-N -1 1 307.165 3.208 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2c(Cl)nc3ccccn32)n1 ZINC000048786860 655636203 /nfs/dbraw/zinc/63/62/03/655636203.db2.gz LEPSBMXUVLMDMZ-VIFPVBQESA-N -1 1 316.773 3.243 20 30 DGEDMM O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000255472357 655757848 /nfs/dbraw/zinc/75/78/48/655757848.db2.gz MZKWMGLJQIUAMQ-KTAJNNJTSA-N -1 1 303.245 3.041 20 30 DGEDMM COc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c([O-])c1 ZINC000255600449 655861814 /nfs/dbraw/zinc/86/18/14/655861814.db2.gz IODQVAVFYUJVSZ-DJWKRKHSSA-N -1 1 306.264 3.281 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1 ZINC000255730866 655892388 /nfs/dbraw/zinc/89/23/88/655892388.db2.gz WKMKKUJXXFQLFJ-UITAMQMPSA-N -1 1 323.392 3.433 20 30 DGEDMM Cc1nn(C)c2ncc(/C=C\C(=O)c3cc(C)ccc3[O-])cc12 ZINC000255871700 655932723 /nfs/dbraw/zinc/93/27/23/655932723.db2.gz GCPKFOGKKIOEFM-ALCCZGGFSA-N -1 1 307.353 3.187 20 30 DGEDMM O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cc(O)ccc1[O-] ZINC000156648311 658932427 /nfs/dbraw/zinc/93/24/27/658932427.db2.gz AVSSAISLVIURGC-SOFGYWHQSA-N -1 1 306.321 3.180 20 30 DGEDMM C=CCN(CC(=O)[O-])Cc1ccc(Br)cc1Cl ZINC000168227065 659138063 /nfs/dbraw/zinc/13/80/63/659138063.db2.gz JBIDPKXCEIHMEK-UHFFFAOYSA-N -1 1 318.598 3.175 20 30 DGEDMM Cc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172378760 659333014 /nfs/dbraw/zinc/33/30/14/659333014.db2.gz XNAUIZVYYDVJTE-LLVKDONJSA-N -1 1 319.773 3.066 20 30 DGEDMM Cc1nocc1[N-]C(=O)c1occc1COc1cccc(C#N)c1 ZINC001586345765 1192323686 /nfs/dbraw/zinc/32/36/86/1192323686.db2.gz UJUAIHCLQAEBQE-UHFFFAOYSA-N -1 1 323.308 3.279 20 30 DGEDMM O=C([N-]CC#Cc1ccccc1)C(F)(F)c1cc(F)cc(F)c1 ZINC001587792053 1192418785 /nfs/dbraw/zinc/41/87/85/1192418785.db2.gz FHJZUDIJMHPOPS-UHFFFAOYSA-N -1 1 321.273 3.225 20 30 DGEDMM C=CCCC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001588594243 1192451905 /nfs/dbraw/zinc/45/19/05/1192451905.db2.gz RBXOGYBPTQGBAD-AWEZNQCLSA-N -1 1 321.388 3.166 20 30 DGEDMM C=CCCC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001588594243 1192451907 /nfs/dbraw/zinc/45/19/07/1192451907.db2.gz RBXOGYBPTQGBAD-AWEZNQCLSA-N -1 1 321.388 3.166 20 30 DGEDMM C=CCCNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001588609499 1192451969 /nfs/dbraw/zinc/45/19/69/1192451969.db2.gz PFUYKDGELGPCNV-UHFFFAOYSA-N -1 1 308.345 3.042 20 30 DGEDMM C=CCCNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001588609499 1192451971 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C=CCC[C@H](O)CNc1ccc(F)c(Br)c1[O-] ZINC001252612730 1105804539 /nfs/dbraw/zinc/80/45/39/1105804539.db2.gz QWCXETQPWUQXOF-QMMMGPOBSA-N -1 1 304.159 3.033 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1C#N ZINC001254941559 1106157952 /nfs/dbraw/zinc/15/79/52/1106157952.db2.gz KIXZSHYAECPOMV-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1ccc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)cccc2n1 ZINC001258126701 1106678203 /nfs/dbraw/zinc/67/82/03/1106678203.db2.gz UZKPVMUEAVEPMJ-UHFFFAOYSA-N -1 1 323.377 3.216 20 30 DGEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC001258909555 1107054293 /nfs/dbraw/zinc/05/42/93/1107054293.db2.gz SIHKVQAYAUWIJM-ZDUSSCGKSA-N -1 1 324.764 3.022 20 30 DGEDMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)c1 ZINC001259517083 1107155974 /nfs/dbraw/zinc/15/59/74/1107155974.db2.gz KNKNCIRMJXRWLL-UHFFFAOYSA-N -1 1 321.789 3.024 20 30 DGEDMM C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259850042 1107211768 /nfs/dbraw/zinc/21/17/68/1107211768.db2.gz IFHFXRZTZLBDDY-UHFFFAOYSA-N -1 1 317.366 3.249 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)ccc1F ZINC001260754209 1107313211 /nfs/dbraw/zinc/31/32/11/1107313211.db2.gz QXANUFYCJFZMCS-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)ccc1F ZINC001260760662 1107315873 /nfs/dbraw/zinc/31/58/73/1107315873.db2.gz YDWLLQMUGVZPCZ-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(O)cc2OC)c1 ZINC001322495443 1107689578 /nfs/dbraw/zinc/68/95/78/1107689578.db2.gz NDJXUXNQMQYNAG-QPJJXVBHSA-N -1 1 300.310 3.011 20 30 DGEDMM N#Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC001264187610 1108424300 /nfs/dbraw/zinc/42/43/00/1108424300.db2.gz BJZPLWFMCQUYOU-UHFFFAOYSA-N -1 1 323.739 3.305 20 30 DGEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC001303506749 1111145207 /nfs/dbraw/zinc/14/52/07/1111145207.db2.gz UNRUHAGIYCFXTI-FZKQIMNGSA-N -1 1 306.365 3.487 20 30 DGEDMM C#Cc1ccc(NCc2ncc(Br)cc2[O-])cc1 ZINC001308974052 1111503203 /nfs/dbraw/zinc/50/32/03/1111503203.db2.gz JYGIVTOUQFYSDA-UHFFFAOYSA-N -1 1 303.159 3.143 20 30 DGEDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000131017043 432032045 /nfs/dbraw/zinc/03/20/45/432032045.db2.gz DRKMZWHYIMKBCS-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1[O-] ZINC000442898433 283124147 /nfs/dbraw/zinc/12/41/47/283124147.db2.gz LFSZYRNHFZWTAN-INIZCTEOSA-N -1 1 310.328 3.380 20 30 DGEDMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000343652992 291092211 /nfs/dbraw/zinc/09/22/11/291092211.db2.gz HGKGXXFTXPPZAK-GUYCJALGSA-N -1 1 306.365 3.487 20 30 DGEDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188402816 200240593 /nfs/dbraw/zinc/24/05/93/200240593.db2.gz WOKHXZYYDVAFIS-HXUWFJFHSA-N -1 1 320.392 3.458 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000070431824 283737220 /nfs/dbraw/zinc/73/72/20/283737220.db2.gz IQTNBRSLMMBFEJ-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190005149 432111525 /nfs/dbraw/zinc/11/15/25/432111525.db2.gz CDSMBLPXLSPKLD-JTQLQIEISA-N -1 1 316.307 3.375 20 30 DGEDMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000190034002 432115535 /nfs/dbraw/zinc/11/55/35/432115535.db2.gz HIFVYZQYYHTHIS-QGZVFWFLSA-N -1 1 323.396 3.360 20 30 DGEDMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000190033979 432116556 /nfs/dbraw/zinc/11/65/56/432116556.db2.gz HIFVYZQYYHTHIS-KRWDZBQOSA-N -1 1 323.396 3.360 20 30 DGEDMM CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344408945 254267663 /nfs/dbraw/zinc/26/76/63/254267663.db2.gz MITUJEQSWZBSLI-JSGCOSHPSA-N -1 1 310.419 3.034 20 30 DGEDMM CCc1nc(SCCCC2(C#N)CCOCC2)[n-]c(=O)c1C ZINC000584732846 400095744 /nfs/dbraw/zinc/09/57/44/400095744.db2.gz SITFJHUYWMONAP-UHFFFAOYSA-N -1 1 321.446 3.246 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000589158561 400265963 /nfs/dbraw/zinc/26/59/63/400265963.db2.gz 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400270742 /nfs/dbraw/zinc/27/07/42/400270742.db2.gz IRHDQIUKMFZLPA-GOSISDBHSA-N -1 1 320.392 3.420 20 30 DGEDMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589184446 400271019 /nfs/dbraw/zinc/27/10/19/400271019.db2.gz NMIQYWLJUMEQHX-KRWDZBQOSA-N -1 1 308.381 3.357 20 30 DGEDMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589181799 400271027 /nfs/dbraw/zinc/27/10/27/400271027.db2.gz BPOZEJTVMOOGIO-WBMJQRKESA-N -1 1 324.355 3.421 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC000589191321 400272044 /nfs/dbraw/zinc/27/20/44/400272044.db2.gz DCVVOZUMMIWKKL-UHFFFAOYSA-N -1 1 314.291 3.012 20 30 DGEDMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589195947 400273482 /nfs/dbraw/zinc/27/34/82/400273482.db2.gz PXUBSMLJZRCFNB-KZULUSFZSA-N -1 1 306.365 3.317 20 30 DGEDMM C[C@H]1CCc2[n-]n(-c3ccc(C#N)c(C(F)(F)F)c3)c(=O)c21 ZINC000601939538 400381809 /nfs/dbraw/zinc/38/18/09/400381809.db2.gz LUUMWUFCQFQYRE-SDBXPKJASA-N -1 1 307.275 3.326 20 30 DGEDMM Cc1nc(C#N)c(-n2[n-]c(Cc3ccccc3)c(C(C)C)c2=O)o1 ZINC000601941647 400382048 /nfs/dbraw/zinc/38/20/48/400382048.db2.gz ZLLXURLNQIZFOL-MRXNPFEDSA-N -1 1 322.368 3.072 20 30 DGEDMM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000578907479 400333242 /nfs/dbraw/zinc/33/32/42/400333242.db2.gz ZBXRFWGJCSGWQH-LBPRGKRZSA-N -1 1 307.357 3.139 20 30 DGEDMM COc1cc(SC)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000618486441 400600037 /nfs/dbraw/zinc/60/00/37/400600037.db2.gz MPXMBLSFBIQHLJ-UHFFFAOYSA-N -1 1 314.366 3.247 20 30 DGEDMM Cc1nc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2s1 ZINC000614293370 400871933 /nfs/dbraw/zinc/87/19/33/400871933.db2.gz BXCUTLBGWBKGDQ-UHFFFAOYSA-N -1 1 309.350 3.434 20 30 DGEDMM Cc1cc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c(C)s1 ZINC000614295088 400872381 /nfs/dbraw/zinc/87/23/81/400872381.db2.gz DNOUYUIBPAHSPQ-JTQLQIEISA-N -1 1 300.383 3.433 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC000614295615 400872397 /nfs/dbraw/zinc/87/23/97/400872397.db2.gz 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400888081 /nfs/dbraw/zinc/88/80/81/400888081.db2.gz XYEBVZLEFMMDBL-CABCVRRESA-N -1 1 304.415 3.058 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)cc2NC2CC2)c1 ZINC000614371744 400888095 /nfs/dbraw/zinc/88/80/95/400888095.db2.gz ZHFIRYZUNRZNMT-UHFFFAOYSA-N -1 1 311.316 3.230 20 30 DGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361676 400885422 /nfs/dbraw/zinc/88/54/22/400885422.db2.gz SXNNDIDJCRAMBJ-UHFFFAOYSA-N -1 1 319.364 3.188 20 30 DGEDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461312 400851558 /nfs/dbraw/zinc/85/15/58/400851558.db2.gz KIFYSJDSLJQBPY-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000614370037 400887053 /nfs/dbraw/zinc/88/70/53/400887053.db2.gz XYIUKXHTNWGGBN-KRWDZBQOSA-N -1 1 324.405 3.194 20 30 DGEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3F)CCC2)cc1[O-] ZINC000593755154 400904693 /nfs/dbraw/zinc/90/46/93/400904693.db2.gz GYZYAJHQUCCXQA-UHFFFAOYSA-N -1 1 324.355 3.255 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC000619781660 400906068 /nfs/dbraw/zinc/90/60/68/400906068.db2.gz JWZQEBYQCGLSBZ-UHFFFAOYSA-N -1 1 322.242 3.257 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](C(F)F)C2CCCCC2)c1 ZINC000598913363 400909128 /nfs/dbraw/zinc/90/91/28/400909128.db2.gz ROGHVPDTVSOVCI-AWEZNQCLSA-N -1 1 308.328 3.208 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000615144608 401015243 /nfs/dbraw/zinc/01/52/43/401015243.db2.gz HDLZACYFIFSJOW-QAPCUYQASA-N -1 1 320.392 3.405 20 30 DGEDMM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C2CC2)n1 ZINC000633894522 401141686 /nfs/dbraw/zinc/14/16/86/401141686.db2.gz KZIDHOXPYMJYID-LBPRGKRZSA-N -1 1 319.368 3.147 20 30 DGEDMM CC(C)(CCNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000615468779 401087119 /nfs/dbraw/zinc/08/71/19/401087119.db2.gz BDNOABHBOJZQIB-UHFFFAOYSA-N -1 1 308.381 3.362 20 30 DGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000608341587 401228990 /nfs/dbraw/zinc/22/89/90/401228990.db2.gz ZNWREMKLCSIONM-UHFFFAOYSA-N -1 1 321.373 3.500 20 30 DGEDMM CC[C@H](CCc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000600253953 401232559 /nfs/dbraw/zinc/23/25/59/401232559.db2.gz YOHCQDRUHDHNSP-QGZVFWFLSA-N -1 1 308.381 3.405 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(F)c1 ZINC000137196148 432173546 /nfs/dbraw/zinc/17/35/46/432173546.db2.gz HEYRPOJVEOSHAQ-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1cnc2ccccc2n1 ZINC000191001285 432210729 /nfs/dbraw/zinc/21/07/29/432210729.db2.gz DUIGIAROANSVMX-ZDUSSCGKSA-N -1 1 318.292 3.028 20 30 DGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1F ZINC000172591662 228276588 /nfs/dbraw/zinc/27/65/88/228276588.db2.gz KNLKHOQXSJWDKH-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM N#CCCN(Cc1ccccn1)Cc1cccc([O-])c1Cl ZINC000295415564 228859513 /nfs/dbraw/zinc/85/95/13/228859513.db2.gz RVOGCMPAWCSURB-UHFFFAOYSA-N -1 1 301.777 3.356 20 30 DGEDMM Cc1cc(C(C#N)=C([O-])c2ccc(OC(C)(C)C)cn2)nc(C)n1 ZINC000344718243 229144425 /nfs/dbraw/zinc/14/44/25/229144425.db2.gz DLDVEKXIDDSHDI-AWEZNQCLSA-N -1 1 324.384 3.156 20 30 DGEDMM N#C[C@H]1N(Cc2cccc([O-])c2Cl)CCC[C@@]12CCCCO2 ZINC000353260543 229273557 /nfs/dbraw/zinc/27/35/57/229273557.db2.gz XIZDZARHQKQQFK-WBVHZDCISA-N -1 1 320.820 3.473 20 30 DGEDMM Cc1cc(C(C#N)=C([O-])c2nccc3ccccc32)nc(C)n1 ZINC000355666974 229314804 /nfs/dbraw/zinc/31/48/04/229314804.db2.gz JWLKCUNBUNIKIL-HNNXBMFYSA-N -1 1 302.337 3.132 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc(C)c1F ZINC000179026133 267360205 /nfs/dbraw/zinc/36/02/05/267360205.db2.gz ZPUZNEUUTQCYHJ-UHFFFAOYSA-N -1 1 318.373 3.423 20 30 DGEDMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443059952 278388541 /nfs/dbraw/zinc/38/85/41/278388541.db2.gz DSABICGLJGSZIT-KPZWWZAWSA-N -1 1 306.365 3.317 20 30 DGEDMM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667636 431232277 /nfs/dbraw/zinc/23/22/77/431232277.db2.gz KRROZHGOSLNIPZ-JTQLQIEISA-N -1 1 316.744 3.323 20 30 DGEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1F ZINC000070432303 431248696 /nfs/dbraw/zinc/24/86/96/431248696.db2.gz JEBKAWREMDUEOG-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM CCc1ccc(OCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000026254394 431672147 /nfs/dbraw/zinc/67/21/47/431672147.db2.gz AUNUNMQQAYVZMV-UHFFFAOYSA-N -1 1 314.267 3.053 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1Cl ZINC000048653242 431929616 /nfs/dbraw/zinc/92/96/16/431929616.db2.gz WVFQYAABEJEVTH-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000048652334 431929624 /nfs/dbraw/zinc/92/96/24/431929624.db2.gz YTPIAUOBKFOUOI-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000050212729 431947417 /nfs/dbraw/zinc/94/74/17/431947417.db2.gz BMVYKUMWEMIFCY-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000226136633 432703144 /nfs/dbraw/zinc/70/31/44/432703144.db2.gz BTUTXTQMKAUILI-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)c1ccccc1 ZINC000188165625 432709830 /nfs/dbraw/zinc/70/98/30/432709830.db2.gz OLQOIDYBHBGMSD-CYBMUJFWSA-N -1 1 308.381 3.360 20 30 DGEDMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188227453 432712949 /nfs/dbraw/zinc/71/29/49/432712949.db2.gz IJABDCSCPPRMIP-UHFFFAOYSA-N -1 1 323.377 3.146 20 30 DGEDMM N#Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1[O-] ZINC000188457716 432726710 /nfs/dbraw/zinc/72/67/10/432726710.db2.gz MINLJDZVEZKEOE-CQSZACIVSA-N -1 1 324.355 3.108 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCc3ccc(Cl)cc3C2)cc1[O-] ZINC000189067776 432762622 /nfs/dbraw/zinc/76/26/22/432762622.db2.gz YYLLDJQXKQQEHV-UHFFFAOYSA-N -1 1 312.756 3.116 20 30 DGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(F)c1F ZINC000189084302 432762630 /nfs/dbraw/zinc/76/26/30/432762630.db2.gz HRDVRPLYDKRSLA-VIFPVBQESA-N -1 1 302.280 3.033 20 30 DGEDMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188457993 432727466 /nfs/dbraw/zinc/72/74/66/432727466.db2.gz BWLUHVRWVJKUSB-LRDDRELGSA-N -1 1 324.355 3.421 20 30 DGEDMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188457970 432727969 /nfs/dbraw/zinc/72/79/69/432727969.db2.gz BWLUHVRWVJKUSB-WBMJQRKESA-N -1 1 324.355 3.421 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000235915805 432746195 /nfs/dbraw/zinc/74/61/95/432746195.db2.gz VUBFIAGZPBWPEG-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2C2CCCC2)n1 ZINC000330098305 432893542 /nfs/dbraw/zinc/89/35/42/432893542.db2.gz BQPYWFKORGVMHX-LBPRGKRZSA-N -1 1 300.387 3.253 20 30 DGEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000447511791 433207718 /nfs/dbraw/zinc/20/77/18/433207718.db2.gz VPFIJUABFAQLHO-NSHDSACASA-N -1 1 307.309 3.157 20 30 DGEDMM C=C1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000282432730 433606258 /nfs/dbraw/zinc/60/62/58/433606258.db2.gz HTSKBZLNIKJCQX-UHFFFAOYSA-N -1 1 302.761 3.386 20 30 DGEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)Cc2ccccc2O1 ZINC000356591838 433616983 /nfs/dbraw/zinc/61/69/83/433616983.db2.gz LILJUCYKWZDFSE-UHFFFAOYSA-N -1 1 322.364 3.077 20 30 DGEDMM C=CCOc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000438912928 434544254 /nfs/dbraw/zinc/54/42/54/434544254.db2.gz WWGRLPSPNVWADN-UHFFFAOYSA-N -1 1 305.280 3.488 20 30 DGEDMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443059953 434775787 /nfs/dbraw/zinc/77/57/87/434775787.db2.gz DSABICGLJGSZIT-KZULUSFZSA-N -1 1 306.365 3.317 20 30 DGEDMM N#Cc1ccccc1OCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482165 434806524 /nfs/dbraw/zinc/80/65/24/434806524.db2.gz RJCZSGNPTHYLPS-UHFFFAOYSA-N -1 1 311.272 3.032 20 30 DGEDMM CC(C)c1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000527486022 435012598 /nfs/dbraw/zinc/01/25/98/435012598.db2.gz CFUDRLSLIGKREP-UHFFFAOYSA-N -1 1 308.381 3.360 20 30 DGEDMM N#Cc1ccccc1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000558464847 435092642 /nfs/dbraw/zinc/09/26/42/435092642.db2.gz WXLKTXSQKNQDBS-UHFFFAOYSA-N 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LOVLOXIEZOYAQE-VMPITWQZSA-N -1 1 303.724 3.303 20 30 DGEDMM CC(=Cc1cc(F)cc(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435341033 527524913 /nfs/dbraw/zinc/52/49/13/527524913.db2.gz RCSVHXQHQMPEHD-FPYGCLRLSA-N -1 1 303.724 3.303 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nc(C)cs2)c1 ZINC000416940659 529270874 /nfs/dbraw/zinc/27/08/74/529270874.db2.gz PDXRGFNZIUXRNS-ZDUSSCGKSA-N -1 1 321.427 3.162 20 30 DGEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000052031676 545690687 /nfs/dbraw/zinc/69/06/87/545690687.db2.gz XXUPFXRLGVLHNO-UHFFFAOYSA-N -1 1 313.367 3.170 20 30 DGEDMM Cc1scc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1C ZINC000180742803 546148892 /nfs/dbraw/zinc/14/88/92/546148892.db2.gz IPSJDFJAYQDSNW-LBPRGKRZSA-N -1 1 314.414 3.173 20 30 DGEDMM C=CC[C@@H](C)C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735409338 574701043 /nfs/dbraw/zinc/70/10/43/574701043.db2.gz CPQVTWMLFACTHG-SECBINFHSA-N -1 1 317.397 3.152 20 30 DGEDMM C=CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736114599 574731471 /nfs/dbraw/zinc/73/14/71/574731471.db2.gz YIQJFZKGNJVELB-QGZVFWFLSA-N -1 1 315.344 3.306 20 30 DGEDMM COc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738118493 574859251 /nfs/dbraw/zinc/85/92/51/574859251.db2.gz CDENLNKJRUYWOA-YVEFUNNKSA-N -1 1 310.353 3.043 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc(OCC#N)c1)O2 ZINC000730149729 575276425 /nfs/dbraw/zinc/27/64/25/575276425.db2.gz KCDWIRUCVPLBML-CXUHLZMHSA-N -1 1 307.305 3.219 20 30 DGEDMM COc1ccc([C@@H](C)C(C)N=Nc2nc(C)cc(=O)[n-]2)cc1 ZINC000747624676 575528098 /nfs/dbraw/zinc/52/80/98/575528098.db2.gz QRJBPLPJUIBUMF-NSHDSACASA-N -1 1 300.362 3.091 20 30 DGEDMM CSc1ccc2c(c1)CCCC2=NNc1nc(C)cc(=O)[n-]1 ZINC000748134365 575563132 /nfs/dbraw/zinc/56/31/32/575563132.db2.gz PLFWAGOQLJHWBF-UHFFFAOYSA-N -1 1 314.414 3.365 20 30 DGEDMM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749603360 575667978 /nfs/dbraw/zinc/66/79/78/575667978.db2.gz HITLWOOQCNZGQR-UHFFFAOYSA-N -1 1 316.273 3.045 20 30 DGEDMM CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000727776854 576144848 /nfs/dbraw/zinc/14/48/48/576144848.db2.gz IZKLEYAFFZXGEY-IINYFYTJSA-N -1 1 323.437 3.298 20 30 DGEDMM C=CCCC(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000728341964 576177277 /nfs/dbraw/zinc/17/72/77/576177277.db2.gz LFDMRHPBADRJCI-UHFFFAOYSA-N -1 1 302.326 3.070 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(-c3cccs3)n2)n1 ZINC000728428749 576181148 /nfs/dbraw/zinc/18/11/48/576181148.db2.gz BBYWWHPXDMIUKG-UHFFFAOYSA-N -1 1 317.399 3.122 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cnc(-c2ccccc2)nc1 ZINC000917143022 620658306 /nfs/dbraw/zinc/65/83/06/620658306.db2.gz GECZVWQEBQEPSW-IUXPMGMMSA-N -1 1 316.316 3.465 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1csc([N+](=O)[O-])c1)O2 ZINC000917145615 620658654 /nfs/dbraw/zinc/65/86/54/620658654.db2.gz DDFYCPGGZWYNBN-JYOAFUTRSA-N -1 1 303.295 3.287 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc3c1OCCCO3)O2 ZINC000917145981 620658749 /nfs/dbraw/zinc/65/87/49/620658749.db2.gz GBAOFZJASNAXGW-CXUHLZMHSA-N -1 1 324.332 3.478 20 30 DGEDMM [O-]c1c(Br)cc(O)cc1C=NOCC1CCC1 ZINC000853439968 620695066 /nfs/dbraw/zinc/69/50/66/620695066.db2.gz UUTGWTJBTIZUOK-UHFFFAOYSA-N -1 1 300.152 3.011 20 30 DGEDMM N#C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)CC2CCC1CC2 ZINC000909373407 618573680 /nfs/dbraw/zinc/57/36/80/618573680.db2.gz XMYNWKAZUPWFGM-UDUZUONDSA-N -1 1 306.312 3.329 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cc(OC)cc(OC)c2)c1 ZINC000218485534 618616569 /nfs/dbraw/zinc/61/65/69/618616569.db2.gz GUNJFYJQOLVLTF-XQRVVYSFSA-N -1 1 314.337 3.314 20 30 DGEDMM O=C(/C=C/c1ccnn1CC1CCC1)c1cc([O-])cc(F)c1 ZINC000899412537 619338588 /nfs/dbraw/zinc/33/85/88/619338588.db2.gz JNGPTFJIIOLYKA-SNAWJCMRSA-N -1 1 300.333 3.424 20 30 DGEDMM Cn1ncc(C2CCC2)c1/C=C\C(=O)c1cc([O-])cc(F)c1 ZINC000899414689 619339452 /nfs/dbraw/zinc/33/94/52/619339452.db2.gz WRKLTPSLEQJGFR-WAYWQWQTSA-N -1 1 300.333 3.428 20 30 DGEDMM C=CC1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000900655386 619443199 /nfs/dbraw/zinc/44/31/99/619443199.db2.gz IGEAXECRWKZZMB-UHFFFAOYSA-N -1 1 300.333 3.118 20 30 DGEDMM Cc1cccc(O[C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901376318 619492327 /nfs/dbraw/zinc/49/23/27/619492327.db2.gz SRMYIXZWFYXUKW-CYBMUJFWSA-N -1 1 303.333 3.319 20 30 DGEDMM C=CCOc1cccc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)c1 ZINC000901917262 619560512 /nfs/dbraw/zinc/56/05/12/619560512.db2.gz XXDMOOFORRLOJZ-SFHVURJKSA-N -1 1 319.376 3.030 20 30 DGEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3ccc(F)cc3F)C2)n1 ZINC000905416785 619995884 /nfs/dbraw/zinc/99/58/84/619995884.db2.gz IQJBNNTWLJETKT-UHFFFAOYSA-N -1 1 304.300 3.114 20 30 DGEDMM CCOCc1nc(C)cc(N=NCc2cccc([O-])c2Cl)n1 ZINC000905502322 620002633 /nfs/dbraw/zinc/00/26/33/620002633.db2.gz FVOZHMBHJCJELZ-UHFFFAOYSA-N -1 1 320.780 3.127 20 30 DGEDMM C=CC[C@@H]1N(C(=O)c2cnc(C3CC3)[n-]c2=O)CCCC1(C)C ZINC000907774053 620172877 /nfs/dbraw/zinc/17/28/77/620172877.db2.gz JAVMISSIBMQQEH-AWEZNQCLSA-N -1 1 315.417 3.267 20 30 DGEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000908641397 620217499 /nfs/dbraw/zinc/21/74/99/620217499.db2.gz FSGZFBNKGHZZCS-ZDUSSCGKSA-N -1 1 307.777 3.186 20 30 DGEDMM C=CC[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000912984976 620417728 /nfs/dbraw/zinc/41/77/28/620417728.db2.gz WQAWIAWJADPVOT-LLVKDONJSA-N -1 1 300.333 3.118 20 30 DGEDMM CC(N=Nc1cccc([N+](=O)[O-])c1)c1ccc(CC(=O)[O-])cc1 ZINC000915934617 620608710 /nfs/dbraw/zinc/60/87/10/620608710.db2.gz HCYFRMPBAODDNR-UHFFFAOYSA-N -1 1 313.313 3.058 20 30 DGEDMM COc1ccc2cc(C(C)=NNc3nc(C)cc(=O)[n-]3)ccc2c1 ZINC000916241534 620622397 /nfs/dbraw/zinc/62/23/97/620622397.db2.gz IQHNGMVWFCMRMX-UHFFFAOYSA-N -1 1 322.368 3.489 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C)ccc1OC(F)F ZINC000916242725 620622478 /nfs/dbraw/zinc/62/24/78/620622478.db2.gz ZKCQYMSYWKHABQ-UHFFFAOYSA-N -1 1 322.315 3.237 20 30 DGEDMM C=C(C)CO[N-]C(=O)Cc1sc(SCC(C)C)nc1C ZINC000855026453 620864098 /nfs/dbraw/zinc/86/40/98/620864098.db2.gz FIZWDUCOILYOOT-UHFFFAOYSA-N -1 1 314.476 3.366 20 30 DGEDMM C=CCCO[N-]C(=O)Cc1sc(SCC(C)C)nc1C ZINC000856028033 620954591 /nfs/dbraw/zinc/95/45/91/620954591.db2.gz KFYKNRIZXPWXMA-UHFFFAOYSA-N -1 1 314.476 3.366 20 30 DGEDMM O=C([O-])c1cccc(N=NC2CCN(Cc3ccccc3)C2)c1 ZINC000839383410 621365345 /nfs/dbraw/zinc/36/53/45/621365345.db2.gz JMDSOJXLKQMTBK-UHFFFAOYSA-N -1 1 309.369 3.059 20 30 DGEDMM COc1ccc(C2CC2)cc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000881558827 625484103 /nfs/dbraw/zinc/48/41/03/625484103.db2.gz XOMGFYRYOWTYCB-UHFFFAOYSA-N -1 1 322.364 3.080 20 30 DGEDMM O=C([O-])c1csc(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000755632427 621582301 /nfs/dbraw/zinc/58/23/01/621582301.db2.gz SUGOLTSOJHGJBB-UHFFFAOYSA-N -1 1 322.296 3.047 20 30 DGEDMM O=C([O-])c1csc(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)c1 ZINC000755632427 621582303 /nfs/dbraw/zinc/58/23/03/621582303.db2.gz SUGOLTSOJHGJBB-UHFFFAOYSA-N -1 1 322.296 3.047 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(F)cc1C ZINC000756901044 621671284 /nfs/dbraw/zinc/67/12/84/621671284.db2.gz GXWVDNCEJJRSRJ-UHFFFAOYSA-N -1 1 302.305 3.287 20 30 DGEDMM CCc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)o1 ZINC000756901426 621671303 /nfs/dbraw/zinc/67/13/03/621671303.db2.gz PKIUQQGACQZYGG-UHFFFAOYSA-N -1 1 302.330 3.385 20 30 DGEDMM C=C(C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000805121871 621698309 /nfs/dbraw/zinc/69/83/09/621698309.db2.gz KCZJUZCNBBDORP-UHFFFAOYSA-N -1 1 313.378 3.425 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cc(F)ccc2F)c1 ZINC000757473765 621715430 /nfs/dbraw/zinc/71/54/30/621715430.db2.gz OOFOTOVIMHSVTE-KTAJNNJTSA-N -1 1 304.248 3.265 20 30 DGEDMM COc1cc2c(cc1/C=C/C(=O)c1cc(C)ccc1[O-])OCO2 ZINC000758929167 621811887 /nfs/dbraw/zinc/81/18/87/621811887.db2.gz BMOYHETYZMODHT-GQCTYLIASA-N -1 1 312.321 3.334 20 30 DGEDMM C=C(Br)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373097 621904511 /nfs/dbraw/zinc/90/45/11/621904511.db2.gz FWVYINIYCPLZMO-UHFFFAOYSA-N -1 1 301.209 3.369 20 30 DGEDMM C[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(C#N)c1[O-] ZINC000866374206 622105811 /nfs/dbraw/zinc/10/58/11/622105811.db2.gz FLQZUYIXGVXBKX-SJKOYZFVSA-N -1 1 321.380 3.388 20 30 DGEDMM O=C([O-])c1ccc(NN=Cc2cnc(-c3ccccc3)s2)nc1 ZINC000763367699 622141159 /nfs/dbraw/zinc/14/11/59/622141159.db2.gz FZOVYIJVBYYING-UHFFFAOYSA-N -1 1 324.365 3.349 20 30 DGEDMM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764842236 622225642 /nfs/dbraw/zinc/22/56/42/622225642.db2.gz XVIDPVWVAMURGI-UHFFFAOYSA-N -1 1 323.381 3.076 20 30 DGEDMM O=C([O-])c1ccc(NN=Cc2cc(-c3ccccc3)[nH]n2)cc1 ZINC000767736074 622419393 /nfs/dbraw/zinc/41/93/93/622419393.db2.gz VHXKTFGKIMRHMR-UHFFFAOYSA-N -1 1 306.325 3.221 20 30 DGEDMM COc1ccc(NN=Cc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000767797846 622422363 /nfs/dbraw/zinc/42/23/63/622422363.db2.gz RPCXDNHPOYPOFB-UHFFFAOYSA-N -1 1 321.720 3.408 20 30 DGEDMM CC(=Cc1ccc(Cl)nc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000789829137 625568874 /nfs/dbraw/zinc/56/88/74/625568874.db2.gz HCWGNOSRSXUULA-ALCCZGGFSA-N -1 1 321.167 3.212 20 30 DGEDMM CC(CCC1CCCCC1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769808070 622562526 /nfs/dbraw/zinc/56/25/26/622562526.db2.gz AGRPYYLKYRNFKK-UHFFFAOYSA-N -1 1 316.409 3.217 20 30 DGEDMM CCC(CC)(CNC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F ZINC000871262737 622581679 /nfs/dbraw/zinc/58/16/79/622581679.db2.gz KAUUFQCANBCYJE-UHFFFAOYSA-N -1 1 314.307 3.362 20 30 DGEDMM CC(C)(C)n1ncc2c1[n-]c(NN=CC1(C)CCCC1)nc2=O ZINC000872351995 622893658 /nfs/dbraw/zinc/89/36/58/622893658.db2.gz ZHXIEMQNQPQTGT-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM COc1c([O-])c(C=NNc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000772990817 622962243 /nfs/dbraw/zinc/96/22/43/622962243.db2.gz PDJYIZJMPVEJJW-UHFFFAOYSA-N -1 1 301.302 3.063 20 30 DGEDMM CC1(C)C[C@@H](NN=Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790175767 625613278 /nfs/dbraw/zinc/61/32/78/625613278.db2.gz JEXYRHGNPORZSK-VIFPVBQESA-N -1 1 300.761 3.066 20 30 DGEDMM N#Cc1c(COC(=O)c2ccc([O-])cc2F)cn2ccccc12 ZINC000773568278 623046946 /nfs/dbraw/zinc/04/69/46/623046946.db2.gz FFRATOWEKOZQOA-UHFFFAOYSA-N -1 1 310.284 3.013 20 30 DGEDMM C#CCOc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000776883609 623473561 /nfs/dbraw/zinc/47/35/61/623473561.db2.gz XOVFQVLUYXTOTJ-UHFFFAOYSA-N -1 1 310.284 3.260 20 30 DGEDMM Cc1cc(Br)c([O-])c(C=NO[C@@H]2CCCCO2)c1 ZINC000781596522 624101201 /nfs/dbraw/zinc/10/12/01/624101201.db2.gz IQUQIZQSYIPREI-GFCCVEGCSA-N -1 1 314.179 3.340 20 30 DGEDMM C=CCc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc(OC)c1O ZINC000126805203 624110918 /nfs/dbraw/zinc/11/09/18/624110918.db2.gz UMLQDVQMZAZDOQ-MFOYZWKCSA-N -1 1 324.332 3.451 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2c(Br)cnn2C)c1 ZINC000782348481 624242567 /nfs/dbraw/zinc/24/25/67/624242567.db2.gz RUJNHRBNQKJAAV-GQCTYLIASA-N -1 1 321.174 3.093 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cc(Br)nn2C)c1 ZINC000782347397 624242807 /nfs/dbraw/zinc/24/28/07/624242807.db2.gz KENZISDOSRZMBL-GQCTYLIASA-N -1 1 321.174 3.093 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cc(-n2ccnc2)cs1 ZINC000783702073 624385650 /nfs/dbraw/zinc/38/56/50/624385650.db2.gz RARCTYNUSCBWAE-VIZOYTHASA-N -1 1 310.334 3.256 20 30 DGEDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000784212775 624455724 /nfs/dbraw/zinc/45/57/24/624455724.db2.gz CRUAMTRJOOMTIZ-JTQLQIEISA-N -1 1 312.281 3.090 20 30 DGEDMM CCCCCCCCC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880653154 624994085 /nfs/dbraw/zinc/99/40/85/624994085.db2.gz PXWSWEACKCBKTQ-UHFFFAOYSA-N -1 1 311.451 3.271 20 30 DGEDMM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000882712945 625795782 /nfs/dbraw/zinc/79/57/82/625795782.db2.gz UQIISQBCMARJOD-ZDUSSCGKSA-N -1 1 322.430 3.299 20 30 DGEDMM N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc1[O-] ZINC000882746204 625805174 /nfs/dbraw/zinc/80/51/74/625805174.db2.gz XJYXGOBTRNNKMJ-YOEHRIQHSA-N -1 1 304.349 3.338 20 30 DGEDMM COc1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)ccc1C#N ZINC000799494291 626305177 /nfs/dbraw/zinc/30/51/77/626305177.db2.gz DMLKFZZPTHLALD-APSNUPSMSA-N -1 1 307.305 3.197 20 30 DGEDMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C#N ZINC000799832721 626330925 /nfs/dbraw/zinc/33/09/25/626330925.db2.gz CTWRZBKGTZJGJX-UHFFFAOYSA-N -1 1 318.336 3.215 20 30 DGEDMM COC(=O)c1c(F)cccc1NN=C(C)c1ccc(F)cc1[O-] ZINC000800818733 626377075 /nfs/dbraw/zinc/37/70/75/626377075.db2.gz MLRKMHGKVVIGLB-UHFFFAOYSA-N -1 1 320.295 3.293 20 30 DGEDMM CC(C)(C#N)CCCOC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203374 626397034 /nfs/dbraw/zinc/39/70/34/626397034.db2.gz JWRFKAAWMWXDPY-UHFFFAOYSA-N -1 1 313.357 3.065 20 30 DGEDMM Cc1nn(-c2ccccn2)c(C)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000802703451 626566731 /nfs/dbraw/zinc/56/67/31/626566731.db2.gz DVBXDESIDNXSRE-ZHACJKMWSA-N -1 1 319.364 3.486 20 30 DGEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])c(C)c1OC ZINC000806573375 626723420 /nfs/dbraw/zinc/72/34/20/626723420.db2.gz IPVLULWZFGXCEV-QPJJXVBHSA-N -1 1 314.337 3.320 20 30 DGEDMM COc1cc(Cl)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809778451 626950977 /nfs/dbraw/zinc/95/09/77/626950977.db2.gz QILTYJXUADSKJD-UHFFFAOYSA-N -1 1 302.717 3.178 20 30 DGEDMM O=C([N-][C@@H](c1ccccc1)C(F)(F)F)[C@@H](F)C(F)(F)F ZINC000810424990 627006405 /nfs/dbraw/zinc/00/64/05/627006405.db2.gz YKTOMRJPFLOHQE-SFYZADRCSA-N -1 1 303.177 3.307 20 30 DGEDMM N#CC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCSCC1 ZINC000885682410 627043191 /nfs/dbraw/zinc/04/31/91/627043191.db2.gz OEUSUKSKFQHSHP-UHFFFAOYSA-N -1 1 314.769 3.160 20 30 DGEDMM N#Cc1c([N-]C(=O)c2c(F)ccnc2F)sc2c1CCCC2 ZINC000887632634 627297909 /nfs/dbraw/zinc/29/79/09/627297909.db2.gz WEXWRFNQZRSSIT-UHFFFAOYSA-N -1 1 319.336 3.424 20 30 DGEDMM COC(=O)c1cc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])cn1C ZINC000811691411 627306157 /nfs/dbraw/zinc/30/61/57/627306157.db2.gz OLFKMMSQSLWCGL-AATRIKPKSA-N -1 1 313.353 3.030 20 30 DGEDMM N#CC(=C([O-])C=Cc1cccnc1)c1cc(C(F)(F)F)ccn1 ZINC000813212943 627467304 /nfs/dbraw/zinc/46/73/04/627467304.db2.gz GQYDDIQBMCHENJ-OOPCZODUSA-N -1 1 317.270 3.385 20 30 DGEDMM Cn1nccc1-c1ccccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000814190790 627548909 /nfs/dbraw/zinc/54/89/09/627548909.db2.gz WHZZVHHTTONYAU-VURMDHGXSA-N -1 1 320.348 3.394 20 30 DGEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1cccc([O-])c1Cl ZINC000814822218 627595253 /nfs/dbraw/zinc/59/52/53/627595253.db2.gz VGCWPJUCJVMOAH-UHFFFAOYSA-N -1 1 321.720 3.408 20 30 DGEDMM [O-]c1cccc(C=NNCCCOc2ccccc2)c1Cl ZINC000814838304 627597366 /nfs/dbraw/zinc/59/73/66/627597366.db2.gz IMDOUPOGGVBPQN-UHFFFAOYSA-N -1 1 304.777 3.438 20 30 DGEDMM Cc1nc(Cl)cc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000814855882 627598813 /nfs/dbraw/zinc/59/88/13/627598813.db2.gz VBHKEZGMUKGWBR-UHFFFAOYSA-N -1 1 318.764 3.199 20 30 DGEDMM O=C1c2ccccc2CCN1N=Cc1cccc([O-])c1Cl ZINC000814892682 627603660 /nfs/dbraw/zinc/60/36/60/627603660.db2.gz JSOJWHBXZUZOLI-UHFFFAOYSA-N -1 1 300.745 3.078 20 30 DGEDMM C[C@H](COc1ccccc1)NN=Cc1cccc([O-])c1Cl ZINC000814934493 627610268 /nfs/dbraw/zinc/61/02/68/627610268.db2.gz ABBDIEGXNNGVLE-GFCCVEGCSA-N -1 1 304.777 3.437 20 30 DGEDMM C=CCC1(O)CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000924432584 627640061 /nfs/dbraw/zinc/64/00/61/627640061.db2.gz PUSUQNZNKJKSTB-UHFFFAOYSA-N -1 1 311.381 3.089 20 30 DGEDMM CC[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(C#N)c1[O-] ZINC000925909797 627816549 /nfs/dbraw/zinc/81/65/49/627816549.db2.gz MBQOQUZUDZSUCO-CYBMUJFWSA-N -1 1 306.316 3.289 20 30 DGEDMM CC(C)c1ccc([C@@H](C)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820191975 628232456 /nfs/dbraw/zinc/23/24/56/628232456.db2.gz CJWJKAWVXKBYNI-GFCCVEGCSA-N -1 1 324.388 3.268 20 30 DGEDMM CC(C)c1ccc([C@@H](C)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820191975 628232459 /nfs/dbraw/zinc/23/24/59/628232459.db2.gz CJWJKAWVXKBYNI-GFCCVEGCSA-N -1 1 324.388 3.268 20 30 DGEDMM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000821476071 628373978 /nfs/dbraw/zinc/37/39/78/628373978.db2.gz GDNRDBFLRBLIBF-UTCJRWHESA-N -1 1 316.411 3.448 20 30 DGEDMM Clc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822578712 628466387 /nfs/dbraw/zinc/46/63/87/628466387.db2.gz OITJDMIQLNYALE-UHFFFAOYSA-N -1 1 304.766 3.028 20 30 DGEDMM C=CC1(CC(=O)NCc2cc(=O)[n-]c(SC)n2)CCCCC1 ZINC000824611436 628676622 /nfs/dbraw/zinc/67/66/22/628676622.db2.gz ONEIYIMTWYWXLW-UHFFFAOYSA-N -1 1 321.446 3.047 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](C)C[C@H](C)C2)o1 ZINC000824858589 628701166 /nfs/dbraw/zinc/70/11/66/628701166.db2.gz KSDCCDGKCODJQY-UWVGGRQHSA-N -1 1 317.397 3.202 20 30 DGEDMM CCC(F)(F)C(=O)[N-][C@@H](C#N)c1cccc(Br)c1 ZINC000824990497 628714277 /nfs/dbraw/zinc/71/42/77/628714277.db2.gz JHJGKZSUQRCTJN-JTQLQIEISA-N -1 1 317.133 3.175 20 30 DGEDMM CCCC[C@@H](CC)CCN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000825261385 628743582 /nfs/dbraw/zinc/74/35/82/628743582.db2.gz YLFRICWNEPKTDC-LLVKDONJSA-N -1 1 305.386 3.167 20 30 DGEDMM CCCCCCCN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825271459 628745014 /nfs/dbraw/zinc/74/50/14/628745014.db2.gz KCGZSJVJANEXQN-UHFFFAOYSA-N -1 1 305.386 3.346 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000826054875 628824046 /nfs/dbraw/zinc/82/40/46/628824046.db2.gz RSSPIWLIIDBAJV-PXAZEXFGSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000826286280 628840327 /nfs/dbraw/zinc/84/03/27/628840327.db2.gz XIFSNXIABNPEIZ-AATRIKPKSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826286280 628840331 /nfs/dbraw/zinc/84/03/31/628840331.db2.gz XIFSNXIABNPEIZ-AATRIKPKSA-N -1 1 310.382 3.441 20 30 DGEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000827718314 628985614 /nfs/dbraw/zinc/98/56/14/628985614.db2.gz QKTMGXSTTSAMRJ-MGPLVRAMSA-N -1 1 316.307 3.313 20 30 DGEDMM C[C@H]1c2ccccc2OCCN1[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828526810 629062720 /nfs/dbraw/zinc/06/27/20/629062720.db2.gz DPJZEBRIVJXWRX-UGSOOPFHSA-N -1 1 322.364 3.140 20 30 DGEDMM COc1ccc(C)cc1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832252219 629455639 /nfs/dbraw/zinc/45/56/39/629455639.db2.gz IWSKJQRIFRGZIU-SCLBCKFNSA-N -1 1 324.380 3.352 20 30 DGEDMM COc1ccc(C)cc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832252218 629455766 /nfs/dbraw/zinc/45/57/66/629455766.db2.gz IWSKJQRIFRGZIU-FZKQIMNGSA-N -1 1 324.380 3.352 20 30 DGEDMM COc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832595560 629499112 /nfs/dbraw/zinc/49/91/12/629499112.db2.gz MHNLGRFDRYFBBW-PXAZEXFGSA-N -1 1 310.353 3.043 20 30 DGEDMM N#Cc1cccc([C@H](NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000833075239 629555555 /nfs/dbraw/zinc/55/55/55/629555555.db2.gz JGSLWLXWDFQRAQ-HNNXBMFYSA-N -1 1 300.745 3.127 20 30 DGEDMM C#CCN(Cc1ccc(F)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833365189 629592233 /nfs/dbraw/zinc/59/22/33/629592233.db2.gz ZGJSMNHXIXLMNJ-UHFFFAOYSA-N -1 1 311.356 3.088 20 30 DGEDMM CCn1c(C)cc(C=NNc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000835010305 629821695 /nfs/dbraw/zinc/82/16/95/629821695.db2.gz WVTMRCZKCWPVDA-UHFFFAOYSA-N -1 1 303.337 3.408 20 30 DGEDMM Cc1c(C(C)N=Nc2ccc(C(=O)[O-])c(F)c2)cnn1C(C)C ZINC000835009785 629821902 /nfs/dbraw/zinc/82/19/02/629821902.db2.gz ZVBRZLBUXSYLPA-UHFFFAOYSA-N -1 1 318.352 3.446 20 30 DGEDMM C#CC[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000843998369 630706086 /nfs/dbraw/zinc/70/60/86/630706086.db2.gz BGSWVDQHQRCHCA-LLVKDONJSA-N -1 1 322.202 3.030 20 30 DGEDMM C#Cc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000844144648 630710456 /nfs/dbraw/zinc/71/04/56/630710456.db2.gz NUCPJOFWWNPCMC-UHFFFAOYSA-N -1 1 301.729 3.288 20 30 DGEDMM CC(=NOCCOC(C)C)c1ccc([O-])c(Br)c1 ZINC000844597586 630742027 /nfs/dbraw/zinc/74/20/27/630742027.db2.gz QVEHWSOBDHOYAF-UHFFFAOYSA-N -1 1 316.195 3.320 20 30 DGEDMM Cc1c(N=NC2CCN(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC000844627856 630744671 /nfs/dbraw/zinc/74/46/71/630744671.db2.gz RPEVPWUTBAEZNT-UHFFFAOYSA-N -1 1 323.396 3.367 20 30 DGEDMM C=C(C)CO[N-]C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000846533332 631255947 /nfs/dbraw/zinc/25/59/47/631255947.db2.gz HMADNKCJAORAQK-UHFFFAOYSA-N -1 1 301.342 3.110 20 30 DGEDMM C=CCCSCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000849426128 631908164 /nfs/dbraw/zinc/90/81/64/631908164.db2.gz PHZLLPIDGOVZME-UHFFFAOYSA-N -1 1 311.428 3.020 20 30 DGEDMM COc1ccc(NN=Cc2c(F)ccc([O-])c2F)c([N+](=O)[O-])c1 ZINC000794523161 661088691 /nfs/dbraw/zinc/08/86/91/661088691.db2.gz JBHJUCXQPMXRPT-UHFFFAOYSA-N -1 1 323.255 3.033 20 30 DGEDMM COc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1OC ZINC000254926438 655544669 /nfs/dbraw/zinc/54/46/69/655544669.db2.gz LWPUJVKBDKHXOT-VURMDHGXSA-N -1 1 300.310 3.011 20 30 DGEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(Cl)s1 ZINC000127880276 655783219 /nfs/dbraw/zinc/78/32/19/655783219.db2.gz DQDKDOXQAMJJEV-SNVBAGLBSA-N -1 1 304.758 3.363 20 30 DGEDMM O=C(/C=C/c1cn2cc(Cl)ccc2n1)c1cc(O)ccc1[O-] ZINC000176954996 655884215 /nfs/dbraw/zinc/88/42/15/655884215.db2.gz KBKBVPHIIBFVLH-DUXPYHPUSA-N -1 1 314.728 3.295 20 30 DGEDMM O=[N+]([O-])c1ccc([O-])c(C=NN=c2ccc3ccccc3[nH]2)c1 ZINC000254385091 658086662 /nfs/dbraw/zinc/08/66/62/658086662.db2.gz GBXZYECIRHNWJN-UHFFFAOYSA-N -1 1 308.297 3.295 20 30 DGEDMM C=CCCCN(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932062845 661534153 /nfs/dbraw/zinc/53/41/53/661534153.db2.gz PMJKBZTWHRJRQZ-UHFFFAOYSA-N -1 1 314.389 3.398 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cccc(-n2cccn2)c1 ZINC000157230853 661866697 /nfs/dbraw/zinc/86/66/97/661866697.db2.gz UEBGHQUVBXIGJL-YVLHZVERSA-N -1 1 304.305 3.194 20 30 DGEDMM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1[O-] ZINC000193511262 662136499 /nfs/dbraw/zinc/13/64/99/662136499.db2.gz WYYUQNVYHVECNE-INIZCTEOSA-N -1 1 312.756 3.245 20 30 DGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)C1=C([O-])C(C)N=N1 ZINC001585948148 1192294433 /nfs/dbraw/zinc/29/44/33/1192294433.db2.gz CPYKUYYDROZJIU-SECBINFHSA-N -1 1 316.386 3.070 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC23CCC3)o1 ZINC001589774195 1192473531 /nfs/dbraw/zinc/47/35/31/1192473531.db2.gz YVDJLMPUWSSDKI-UHFFFAOYSA-N -1 1 315.381 3.100 20 30 DGEDMM CCCCCCCCCCNc1ncncc1-c1nn[n-]n1 ZINC001590592667 1192527640 /nfs/dbraw/zinc/52/76/40/1192527640.db2.gz COIIZIKAMDJBBL-UHFFFAOYSA-N -1 1 303.414 3.209 20 30 DGEDMM CCCCCCCCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590592737 1192529404 /nfs/dbraw/zinc/52/94/04/1192529404.db2.gz GUOCSXUBAUCJRY-UHFFFAOYSA-N -1 1 303.414 3.209 20 30 DGEDMM CCCCCCCCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590592737 1192529406 /nfs/dbraw/zinc/52/94/06/1192529406.db2.gz GUOCSXUBAUCJRY-UHFFFAOYSA-N -1 1 303.414 3.209 20 30 DGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)CC2CCCCC2)o1 ZINC001592338816 1192608199 /nfs/dbraw/zinc/60/81/99/1192608199.db2.gz PCHMFABFDWPHMV-JTQLQIEISA-N -1 1 317.397 3.167 20 30 DGEDMM Cc1ccc([C@@H](NCc2cccc(C#N)c2F)C(=O)[O-])cc1C ZINC001600385193 1192841526 /nfs/dbraw/zinc/84/15/26/1192841526.db2.gz NOROCBCLQBEZCT-QGZVFWFLSA-N -1 1 312.344 3.230 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c(C)c1 ZINC001259100047 1178082863 /nfs/dbraw/zinc/08/28/63/1178082863.db2.gz GUKMHKBXXVQXMJ-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM N#CCCC[C@H](NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001601064558 1192915671 /nfs/dbraw/zinc/91/56/71/1192915671.db2.gz AWZPQISRYHYRBY-ZDUSSCGKSA-N -1 1 315.398 3.366 20 30 DGEDMM N#CCCC[C@H](NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001601064655 1192915740 /nfs/dbraw/zinc/91/57/40/1192915740.db2.gz FHPPSZGUCDYXMC-ZDUSSCGKSA-N -1 1 315.398 3.366 20 30 DGEDMM C=C(Br)CN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001602744952 1192995441 /nfs/dbraw/zinc/99/54/41/1192995441.db2.gz UEWCWKLCEYXJPV-CYBMUJFWSA-N -1 1 316.170 3.014 20 30 DGEDMM C=C1CCC(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001602774859 1192997167 /nfs/dbraw/zinc/99/71/67/1192997167.db2.gz AHRGPRIEOXMDTL-UHFFFAOYSA-N -1 1 304.785 3.073 20 30 DGEDMM C=C1CCC(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001602774859 1192997169 /nfs/dbraw/zinc/99/71/69/1192997169.db2.gz AHRGPRIEOXMDTL-UHFFFAOYSA-N -1 1 304.785 3.073 20 30 DGEDMM CCc1c(C)sc([N-]C(=O)c2c(F)ccnc2F)c1C#N ZINC001361138345 1181648720 /nfs/dbraw/zinc/64/87/20/1181648720.db2.gz VQVPWUGQJZPCGP-UHFFFAOYSA-N -1 1 307.325 3.416 20 30 DGEDMM C#CCOc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001443940453 1182111627 /nfs/dbraw/zinc/11/16/27/1182111627.db2.gz DOWMYZHQQPXQHJ-UHFFFAOYSA-N -1 1 315.756 3.239 20 30 DGEDMM C#Cc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC001451441286 1182269739 /nfs/dbraw/zinc/26/97/39/1182269739.db2.gz NHKSVUPEIQRADC-UHFFFAOYSA-N -1 1 301.345 3.457 20 30 DGEDMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC001452004355 1182279301 /nfs/dbraw/zinc/27/93/01/1182279301.db2.gz RZSCWLDDMJIKQO-ZDUSSCGKSA-N -1 1 322.364 3.218 20 30 DGEDMM CCc1ccc2c(c1)CCN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC001457321782 1182456879 /nfs/dbraw/zinc/45/68/79/1182456879.db2.gz PEJXZKPZAXGHFQ-UHFFFAOYSA-N -1 1 306.365 3.025 20 30 DGEDMM CC(C)(C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(C#N)cc1 ZINC001457761985 1182480304 /nfs/dbraw/zinc/48/03/04/1182480304.db2.gz KKIUQSDBGHQAJN-UHFFFAOYSA-N -1 1 315.760 3.229 20 30 DGEDMM C#CCOc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001461676761 1182842179 /nfs/dbraw/zinc/84/21/79/1182842179.db2.gz UBNNHQALWNSJGJ-UHFFFAOYSA-N -1 1 319.364 3.202 20 30 DGEDMM CSc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)cc1C#N ZINC001607408938 1193228559 /nfs/dbraw/zinc/22/85/59/1193228559.db2.gz ZRUOMZDSZZBCFY-UHFFFAOYSA-N -1 1 316.382 3.170 20 30 DGEDMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001474898452 1183980485 /nfs/dbraw/zinc/98/04/85/1183980485.db2.gz DUXJLWNQFFVAPY-UMVBOHGHSA-N -1 1 324.446 3.138 20 30 DGEDMM Cc1sc(C(=O)[O-])cc1CNC1(c2cccc(C#N)c2)CC1 ZINC001608060534 1193276623 /nfs/dbraw/zinc/27/66/23/1193276623.db2.gz AOLPRGDUPNOFPS-UHFFFAOYSA-N -1 1 312.394 3.405 20 30 DGEDMM N#CC(C(=O)c1cc(C(=O)[O-])co1)c1ccc2ccccc2n1 ZINC001608170665 1193280442 /nfs/dbraw/zinc/28/04/42/1193280442.db2.gz WLQUAIDGFJCSNS-LBPRGKRZSA-N -1 1 306.277 3.016 20 30 DGEDMM N#CCc1cccc2c1CCN(Cc1csc(C(=O)[O-])c1)C2 ZINC001608189226 1193282173 /nfs/dbraw/zinc/28/21/73/1193282173.db2.gz IPQRHKWQBDRLAP-UHFFFAOYSA-N -1 1 312.394 3.071 20 30 DGEDMM N#Cc1c(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)cccc1C(=O)[O-] ZINC001608192121 1193282666 /nfs/dbraw/zinc/28/26/66/1193282666.db2.gz UQJPTOLMOMLGKA-OXJNMPFZSA-N -1 1 318.376 3.030 20 30 DGEDMM N#Cc1csc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC001608222636 1193284634 /nfs/dbraw/zinc/28/46/34/1193284634.db2.gz VPEQTWLMLGFABR-GDBMZVCRSA-N -1 1 318.442 3.475 20 30 DGEDMM CC(C)(C)c1noc(CN=Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001609672241 1193348282 /nfs/dbraw/zinc/34/82/82/1193348282.db2.gz VOKVDZISVFIFKX-UHFFFAOYSA-N -1 1 322.752 3.165 20 30 DGEDMM CC(C)(C)c1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001609670296 1193348549 /nfs/dbraw/zinc/34/85/49/1193348549.db2.gz GTJLOMSLZICUKZ-UHFFFAOYSA-N -1 1 306.431 3.236 20 30 DGEDMM C[C@H](CN(Cc1ccccc1)Cc1ccccc1C#N)C(=O)[O-] ZINC001609742511 1193353569 /nfs/dbraw/zinc/35/35/69/1193353569.db2.gz RYRLTEQGELAWAU-OAHLLOKOSA-N -1 1 308.381 3.281 20 30 DGEDMM Cc1ccc([C@@H](NCc2ccc(C#N)cc2F)C(=O)[O-])cc1C ZINC001610495893 1193393385 /nfs/dbraw/zinc/39/33/85/1193393385.db2.gz URRMJSDFXNGVHF-QGZVFWFLSA-N -1 1 312.344 3.230 20 30 DGEDMM N#Cc1c(CN2CC[C@@H](c3ccccc3F)C2)cccc1C(=O)[O-] ZINC001610623064 1193401421 /nfs/dbraw/zinc/40/14/21/1193401421.db2.gz ISRJNJTXBCRISB-CQSZACIVSA-N -1 1 324.355 3.385 20 30 DGEDMM Cc1cc(F)c(C#N)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001534082640 1187873894 /nfs/dbraw/zinc/87/38/94/1187873894.db2.gz JMBYVSVRDXCZFJ-UHFFFAOYSA-N -1 1 321.311 3.100 20 30 DGEDMM CC(C)(F)c1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)no1 ZINC001540232809 1188225631 /nfs/dbraw/zinc/22/56/31/1188225631.db2.gz NPJOLNPTOKZYAG-UHFFFAOYSA-N -1 1 309.247 3.281 20 30 DGEDMM N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)ccc1[O-] ZINC001542438565 1188285356 /nfs/dbraw/zinc/28/53/56/1188285356.db2.gz KQAPHNFQYHKKPF-UHFFFAOYSA-N -1 1 304.733 3.195 20 30 DGEDMM Cc1[nH]nc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1[O-] ZINC001543059294 1188312486 /nfs/dbraw/zinc/31/24/86/1188312486.db2.gz YVFQUQDWMPQWDP-UHFFFAOYSA-N -1 1 323.377 3.137 20 30 DGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001565689210 1189663907 /nfs/dbraw/zinc/66/39/07/1189663907.db2.gz VJHZTQJQKPGBHQ-LLVKDONJSA-N -1 1 313.382 3.291 20 30 DGEDMM C#Cc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001618026480 1193721768 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20 30 DGEDMM C=CCN(CCc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297854 400872298 /nfs/dbraw/zinc/87/22/98/400872298.db2.gz DCBZEUNVEFSZKH-UHFFFAOYSA-N -1 1 306.365 3.135 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccc(O)c2)CC2CC2)c1 ZINC000614297812 400872383 /nfs/dbraw/zinc/87/23/83/400872383.db2.gz GZFPCHUWVITKLB-UHFFFAOYSA-N -1 1 322.364 3.022 20 30 DGEDMM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293926 400872387 /nfs/dbraw/zinc/87/23/87/400872387.db2.gz FLHUCZGZSLPPAJ-SFHVURJKSA-N -1 1 322.364 3.250 20 30 DGEDMM CC1(c2ccccc2)CC(NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000619617698 400873714 /nfs/dbraw/zinc/87/37/14/400873714.db2.gz AAQAVXSXDDOJAS-UHFFFAOYSA-N -1 1 306.365 3.114 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1F ZINC000619461118 400851915 /nfs/dbraw/zinc/85/19/15/400851915.db2.gz AGQNNBINTGOGQJ-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461121 400851924 /nfs/dbraw/zinc/85/19/24/400851924.db2.gz 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N#Cc1ccc(CCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445460757 434804085 /nfs/dbraw/zinc/80/40/85/434804085.db2.gz CUCAEKQTRPMKHB-UHFFFAOYSA-N -1 1 309.300 3.238 20 30 DGEDMM N#Cc1ccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445481498 434805283 /nfs/dbraw/zinc/80/52/83/434805283.db2.gz PMLRWSQWEBERHL-UHFFFAOYSA-N -1 1 309.300 3.238 20 30 DGEDMM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000465492680 435031555 /nfs/dbraw/zinc/03/15/55/435031555.db2.gz NPBUZMKVDVNVTF-LURJTMIESA-N -1 1 314.621 3.500 20 30 DGEDMM CC(C)Oc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000583603139 435242291 /nfs/dbraw/zinc/24/22/91/435242291.db2.gz ZWVNAMVSRAPBPK-UHFFFAOYSA-N -1 1 310.419 3.155 20 30 DGEDMM N#CC1(CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000565692575 435281607 /nfs/dbraw/zinc/28/16/07/435281607.db2.gz HGJTTYFBNYPKDK-UHFFFAOYSA-N -1 1 309.156 3.181 20 30 DGEDMM N#CC1(CN=c2nc(-c3cc(Cl)cc(Cl)c3)[n-]o2)CC1 ZINC000565692575 435281611 /nfs/dbraw/zinc/28/16/11/435281611.db2.gz HGJTTYFBNYPKDK-UHFFFAOYSA-N -1 1 309.156 3.181 20 30 DGEDMM CCc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000567129962 435291951 /nfs/dbraw/zinc/29/19/51/435291951.db2.gz BWBKUWHBEXVWLF-NSHDSACASA-N -1 1 308.341 3.220 20 30 DGEDMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000479509406 435335621 /nfs/dbraw/zinc/33/56/21/435335621.db2.gz COALPOKVOLQXHU-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)n21 ZINC000651270074 436158197 /nfs/dbraw/zinc/15/81/97/436158197.db2.gz QVOGWMLOPDMRDT-VXGBXAGGSA-N -1 1 320.352 3.412 20 30 DGEDMM Cc1c(Br)cccc1C([O-])=C(C#N)c1ccncn1 ZINC000354465906 533708917 /nfs/dbraw/zinc/70/89/17/533708917.db2.gz JOTDJCIFNRCEAI-NSHDSACASA-N -1 1 316.158 3.038 20 30 DGEDMM C=CC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000111632161 334350172 /nfs/dbraw/zinc/35/01/72/334350172.db2.gz IPAWQOYGSBYFOO-UHFFFAOYSA-N -1 1 310.191 3.193 20 30 DGEDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000509379670 340267837 /nfs/dbraw/zinc/26/78/37/340267837.db2.gz 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COc1ccc([O-])c(C(=O)/C=C\c2ccc(C#N)c(OC)c2)c1 ZINC000799497109 626305667 /nfs/dbraw/zinc/30/56/67/626305667.db2.gz HMCSMKCCNRPAGA-DAXSKMNVSA-N -1 1 309.321 3.177 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccc(OC)c2F)c1 ZINC000799891655 626333977 /nfs/dbraw/zinc/33/39/77/626333977.db2.gz HYXBSHNGVZEXPP-SOFGYWHQSA-N -1 1 302.301 3.445 20 30 DGEDMM COc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c1F ZINC000799892562 626334092 /nfs/dbraw/zinc/33/40/92/626334092.db2.gz PRJKAIPVZCNKDL-FNORWQNLSA-N -1 1 316.284 3.134 20 30 DGEDMM CNC(=O)c1ccc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])cc1 ZINC000799896666 626334481 /nfs/dbraw/zinc/33/44/81/626334481.db2.gz XTDHQAJPTGNZPD-RMKNXTFCSA-N -1 1 309.365 3.265 20 30 DGEDMM C#CC[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000804454813 626681874 /nfs/dbraw/zinc/68/18/74/626681874.db2.gz AQFPJNMMCGSVOA-CYBMUJFWSA-N -1 1 315.319 3.035 20 30 DGEDMM COc1ccsc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558591 626720671 /nfs/dbraw/zinc/72/06/71/626720671.db2.gz GWWJFWYWAMNUMX-PLNGDYQASA-N -1 1 304.323 3.057 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2c(F)cccc2F)c(O)c1 ZINC000806558798 626721116 /nfs/dbraw/zinc/72/11/16/626721116.db2.gz MFVIVWKUXUDPAC-SREVYHEPSA-N -1 1 304.248 3.265 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)cc2F)c(O)c1 ZINC000806559366 626721285 /nfs/dbraw/zinc/72/12/85/626721285.db2.gz ZBWGDQWTCLZMKJ-UTCJRWHESA-N -1 1 304.248 3.265 20 30 DGEDMM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2C#N)c1[O-] ZINC000808189357 626804819 /nfs/dbraw/zinc/80/48/19/626804819.db2.gz QIIXDRBOWQSLFA-KTKRTIGZSA-N -1 1 306.321 3.118 20 30 DGEDMM O=C([N-][C@H](c1ccccc1)C(F)(F)F)[C@@H](F)C(F)(F)F ZINC000810424985 627006101 /nfs/dbraw/zinc/00/61/01/627006101.db2.gz YKTOMRJPFLOHQE-HTQZYQBOSA-N -1 1 303.177 3.307 20 30 DGEDMM CC(=NN[C@@H](C)COc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000811666156 627303401 /nfs/dbraw/zinc/30/34/01/627303401.db2.gz YZRLRNYUBIESAZ-NSHDSACASA-N -1 1 320.339 3.452 20 30 DGEDMM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1nc(C#N)cs1 ZINC000811687522 627305454 /nfs/dbraw/zinc/30/54/54/627305454.db2.gz GRGWFIIPGCRXLB-CPLNQPMESA-N -1 1 300.314 3.243 20 30 DGEDMM N#Cc1ncccc1NCc1cccc(Br)c1[O-] ZINC000811840260 627328321 /nfs/dbraw/zinc/32/83/21/627328321.db2.gz VJMCQBXAIIYBBR-UHFFFAOYSA-N -1 1 304.147 3.033 20 30 DGEDMM COc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])c(OC)c1 ZINC000812443138 627387136 /nfs/dbraw/zinc/38/71/36/627387136.db2.gz NHCCDHQCNFPPEV-UHFFFAOYSA-N -1 1 314.341 3.238 20 30 DGEDMM C=C(CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1ccccc1 ZINC000813621629 627503636 /nfs/dbraw/zinc/50/36/36/627503636.db2.gz CHLNHMLWUBBSKY-UHFFFAOYSA-N -1 1 311.385 3.057 20 30 DGEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000814681716 627583304 /nfs/dbraw/zinc/58/33/04/627583304.db2.gz YZUBQOYXXWVXGA-UHFFFAOYSA-N -1 1 322.315 3.318 20 30 DGEDMM [O-]c1cccc(CN=Nc2ccc(C(F)(F)F)nn2)c1Cl ZINC000814886350 627602507 /nfs/dbraw/zinc/60/25/07/627602507.db2.gz YWLRMBBPHWRWEQ-UHFFFAOYSA-N -1 1 316.670 3.300 20 30 DGEDMM CC1(C)C[C@H](NN=Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000814909142 627606321 /nfs/dbraw/zinc/60/63/21/627606321.db2.gz WUVOBSGMCQVJDV-SNVBAGLBSA-N -1 1 300.761 3.066 20 30 DGEDMM CC1(C)C[C@@H](NN=Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000814909139 627606335 /nfs/dbraw/zinc/60/63/35/627606335.db2.gz WUVOBSGMCQVJDV-JTQLQIEISA-N -1 1 300.761 3.066 20 30 DGEDMM C=CCC(F)(F)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000815797117 627704540 /nfs/dbraw/zinc/70/45/40/627704540.db2.gz BMNXPKYKMFYLHL-UHFFFAOYSA-N -1 1 323.339 3.025 20 30 DGEDMM N#Cc1ccc(C(=O)NCCC2(c3ccccc3)CC2)cc1[O-] ZINC000927543386 628076359 /nfs/dbraw/zinc/07/63/59/628076359.db2.gz UZLYTTAPDKNSLH-UHFFFAOYSA-N -1 1 306.365 3.116 20 30 DGEDMM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820577783 628273809 /nfs/dbraw/zinc/27/38/09/628273809.db2.gz VBWIMBHGJFBTPP-LCYFTJDESA-N -1 1 322.393 3.486 20 30 DGEDMM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC000822275890 628435343 /nfs/dbraw/zinc/43/53/43/628435343.db2.gz ZHEIUFQWSDRXCU-DHZHZOJOSA-N -1 1 308.366 3.059 20 30 DGEDMM Clc1cccc(Cl)c1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822585716 628467812 /nfs/dbraw/zinc/46/78/12/628467812.db2.gz LUJBFPVAEWEOSQ-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM Clc1cccc(Cl)c1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822585716 628467814 /nfs/dbraw/zinc/46/78/14/628467814.db2.gz LUJBFPVAEWEOSQ-UHFFFAOYSA-N -1 1 323.143 3.213 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000826285450 628839099 /nfs/dbraw/zinc/83/90/99/628839099.db2.gz ADCJXJDPYGNYAZ-WAYWQWQTSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000826285450 628839102 /nfs/dbraw/zinc/83/91/02/628839102.db2.gz ADCJXJDPYGNYAZ-WAYWQWQTSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826289274 628839969 /nfs/dbraw/zinc/83/99/69/628839969.db2.gz TUFJTBDZEHKADH-UTCJRWHESA-N -1 1 314.345 3.272 20 30 DGEDMM C=CCN(CCc1ccccc1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833374596 629594435 /nfs/dbraw/zinc/59/44/35/629594435.db2.gz SKYHGHWYLVMFEU-UHFFFAOYSA-N -1 1 320.392 3.487 20 30 DGEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cc(O)cc(O)c1 ZINC000833386702 629597716 /nfs/dbraw/zinc/59/77/16/629597716.db2.gz SZAVBAUILCUOIZ-UHFFFAOYSA-N -1 1 320.732 3.286 20 30 DGEDMM C[C@@H](C(=O)[O-])[C@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000833407428 629599684 /nfs/dbraw/zinc/59/96/84/629599684.db2.gz NTJBKJVXYCZBOY-PXAZEXFGSA-N -1 1 312.344 3.249 20 30 DGEDMM C=CCC1(NC(=O)c2ccc3n[n-]c(=S)n3c2)CCCCC1 ZINC000836956671 630192135 /nfs/dbraw/zinc/19/21/35/630192135.db2.gz KCHBLYXVWUQTEF-UHFFFAOYSA-N -1 1 316.430 3.027 20 30 DGEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000842942275 630597118 /nfs/dbraw/zinc/59/71/18/630597118.db2.gz IFUKZDRZRYXTIA-MWLCHTKSSA-N -1 1 320.414 3.175 20 30 DGEDMM N#CC1(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000846010638 631205677 /nfs/dbraw/zinc/20/56/77/631205677.db2.gz LOPVTDLTFZXKBG-UHFFFAOYSA-N -1 1 309.753 3.127 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccn(-c2ccccc2)n1 ZINC000187222406 660970097 /nfs/dbraw/zinc/97/00/97/660970097.db2.gz HXHYVGAWQIIJDS-KAMYIIQDSA-N -1 1 302.333 3.400 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cnnn2Cc2ccccc2)c1 ZINC000792882885 660991359 /nfs/dbraw/zinc/99/13/59/660991359.db2.gz BTTJKFSUJVZKOU-CSKARUKUSA-N -1 1 319.364 3.237 20 30 DGEDMM [O-]c1ccc(C=NNCCC(F)(F)F)cc1Br ZINC000794545689 661090119 /nfs/dbraw/zinc/09/01/19/661090119.db2.gz NOFZFHNXJRIMKK-UHFFFAOYSA-N -1 1 311.101 3.031 20 30 DGEDMM N#Cc1cnc2c(c1)CC/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794950326 661115856 /nfs/dbraw/zinc/11/58/56/661115856.db2.gz TXCHCINWFGQROE-WDZFZDKYSA-N -1 1 312.275 3.150 20 30 DGEDMM COCCOc1ccccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000255009192 655560213 /nfs/dbraw/zinc/56/02/13/655560213.db2.gz HBNLTILJFAZUQC-LICLKQGHSA-N -1 1 312.321 3.034 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccn(-c2ccccc2)n1 ZINC000160819779 655679748 /nfs/dbraw/zinc/67/97/48/655679748.db2.gz ACJLMJVRHMLVLY-YVLHZVERSA-N -1 1 304.305 3.194 20 30 DGEDMM O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255765463 655894281 /nfs/dbraw/zinc/89/42/81/655894281.db2.gz BQKMMTKUWGHQBT-IWQZZHSRSA-N -1 1 321.235 3.180 20 30 DGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccco1 ZINC000013889186 657940157 /nfs/dbraw/zinc/94/01/57/657940157.db2.gz JBWATVQJGAMVOS-VIFPVBQESA-N -1 1 306.680 3.033 20 30 DGEDMM N#Cc1ccnc(SCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000192452869 658423475 /nfs/dbraw/zinc/42/34/75/658423475.db2.gz BDBAZDSKOOBEAM-UHFFFAOYSA-N -1 1 310.334 3.058 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc3c(C)cccn23)c1 ZINC000156683117 658934063 /nfs/dbraw/zinc/93/40/63/658934063.db2.gz IPSGLECEIIFNLE-FNORWQNLSA-N -1 1 308.337 3.253 20 30 DGEDMM Cc1nn(C)c2ncc(/C=C/C(=O)c3cc(C)ccc3[O-])cc12 ZINC000156697181 658936091 /nfs/dbraw/zinc/93/60/91/658936091.db2.gz GCPKFOGKKIOEFM-FNORWQNLSA-N -1 1 307.353 3.187 20 30 DGEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130219458 659591579 /nfs/dbraw/zinc/59/15/79/659591579.db2.gz KLVPSWCMWMOFNW-JTQLQIEISA-N -1 1 320.707 3.342 20 30 DGEDMM COCCOc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000156653464 661864205 /nfs/dbraw/zinc/86/42/05/661864205.db2.gz SXTXOIPPHFXZLY-XBXARRHUSA-N -1 1 314.337 3.019 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2c(Cl)nc3ccccn32)n1 ZINC000048786862 661895861 /nfs/dbraw/zinc/89/58/61/661895861.db2.gz LEPSBMXUVLMDMZ-SECBINFHSA-N -1 1 316.773 3.243 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cccnc1 ZINC000078281283 662057754 /nfs/dbraw/zinc/05/77/54/662057754.db2.gz OOVWHAITJQBDHB-HWKANZROSA-N -1 1 304.143 3.446 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc3ccccc23)c(=O)o1 ZINC000192538725 662103304 /nfs/dbraw/zinc/10/33/04/662103304.db2.gz LLLNEYXIPWFYMB-FYCOFBDGSA-N -1 1 312.346 3.130 20 30 DGEDMM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001662512721 1196727218 /nfs/dbraw/zinc/72/72/18/1196727218.db2.gz WMJOWBWDPCPQOP-CHWSQXEVSA-N -1 1 310.419 3.036 20 30 DGEDMM N#CCCN(C(=O)c1cccc([O-])c1F)c1ccc(F)cc1 ZINC001585017183 1192237067 /nfs/dbraw/zinc/23/70/67/1192237067.db2.gz MNNJSWNDIOFCSP-UHFFFAOYSA-N -1 1 302.280 3.231 20 30 DGEDMM C[C@@H](CCc1ccc(F)cc1)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001587208886 1192380140 /nfs/dbraw/zinc/38/01/40/1192380140.db2.gz ROTGSAFYFQPAIV-ZDUSSCGKSA-N -1 1 312.344 3.376 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)C[C@@H]2C)o1 ZINC001590191482 1192493190 /nfs/dbraw/zinc/49/31/90/1192493190.db2.gz JERZIIBMJPUIEC-VIFPVBQESA-N -1 1 317.397 3.202 20 30 DGEDMM CCCCCCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001590594422 1192530056 /nfs/dbraw/zinc/53/00/56/1192530056.db2.gz KPNRHNQWBJTJFT-UHFFFAOYSA-N -1 1 311.393 3.096 20 30 DGEDMM Cc1cc(C)cc([C@@H](NCc2cc(C#N)ccc2F)C(=O)[O-])c1 ZINC001600168580 1192799127 /nfs/dbraw/zinc/79/91/27/1192799127.db2.gz OGRCWNDFELPZOM-QGZVFWFLSA-N -1 1 312.344 3.230 20 30 DGEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1cccc(F)n1 ZINC001342561546 1179153537 /nfs/dbraw/zinc/15/35/37/1179153537.db2.gz KADPHJDRFUBZLA-SECBINFHSA-N -1 1 309.222 3.125 20 30 DGEDMM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1cccc(F)n1 ZINC001343330298 1179257089 /nfs/dbraw/zinc/25/70/89/1179257089.db2.gz HXVICKHJSJXNGE-CYBMUJFWSA-N -1 1 312.275 3.012 20 30 DGEDMM N#CC(=C([O-])c1cccc(Cl)c1)c1nc(N)c2ccccc2n1 ZINC001344540198 1179448063 /nfs/dbraw/zinc/44/80/63/1179448063.db2.gz JHOJIGHIAVCRHA-CYBMUJFWSA-N -1 1 322.755 3.355 20 30 DGEDMM C=CC[C@@H](NCc1cc(C(=O)[O-])c(CC)o1)c1ccncc1 ZINC001602842284 1192999818 /nfs/dbraw/zinc/99/98/18/1192999818.db2.gz MPWMICSYAMUGGA-OAHLLOKOSA-N -1 1 300.358 3.342 20 30 DGEDMM C=CCC[C@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccco1 ZINC001602856619 1193000773 /nfs/dbraw/zinc/00/07/73/1193000773.db2.gz DJADNCVMANJVIM-HNNXBMFYSA-N -1 1 302.374 3.422 20 30 DGEDMM CC(=NNc1cccc(C(F)(F)F)n1)c1cc(C(=O)[O-])co1 ZINC001602992102 1193005438 /nfs/dbraw/zinc/00/54/38/1193005438.db2.gz GQRVSSTYXGXDQY-UHFFFAOYSA-N -1 1 313.235 3.228 20 30 DGEDMM N#Cc1ccc(NC(=S)Nc2ccc(F)c(F)c2)c([O-])c1 ZINC001200699112 1180831882 /nfs/dbraw/zinc/83/18/82/1180831882.db2.gz GAXSHVKSJOAYCX-UHFFFAOYSA-N -1 1 305.309 3.351 20 30 DGEDMM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc(C#N)cc1 ZINC001604322559 1193064259 /nfs/dbraw/zinc/06/42/59/1193064259.db2.gz MUULPTIPFDHKJM-KGLIPLIRSA-N -1 1 324.380 3.433 20 30 DGEDMM C#CCCN(CC(F)(F)F)C(=O)c1cc(Cl)ccc1[O-] ZINC001447390712 1182188429 /nfs/dbraw/zinc/18/84/29/1182188429.db2.gz GDKCXDZFKIUXEX-UHFFFAOYSA-N -1 1 305.683 3.073 20 30 DGEDMM N#Cc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1C1CC1 ZINC001455209299 1182364035 /nfs/dbraw/zinc/36/40/35/1182364035.db2.gz BDZKKIVGKBGTFP-UHFFFAOYSA-N -1 1 322.320 3.122 20 30 DGEDMM Cc1cccc2c1[C@H](C)C(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001605931151 1193184643 /nfs/dbraw/zinc/18/46/43/1193184643.db2.gz SYXKRKTVSVSJIK-VKRGWIQLSA-N -1 1 323.381 3.015 20 30 DGEDMM Cc1cccc2c1[C@H](C)C(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001605931151 1193184645 /nfs/dbraw/zinc/18/46/45/1193184645.db2.gz SYXKRKTVSVSJIK-VKRGWIQLSA-N -1 1 323.381 3.015 20 30 DGEDMM Cc1cccc2c1[C@@H](C)C(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001605931149 1193185168 /nfs/dbraw/zinc/18/51/68/1193185168.db2.gz SYXKRKTVSVSJIK-ISAHRAOESA-N -1 1 323.381 3.015 20 30 DGEDMM Cc1cccc2c1[C@@H](C)C(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001605931149 1193185169 /nfs/dbraw/zinc/18/51/69/1193185169.db2.gz SYXKRKTVSVSJIK-ISAHRAOESA-N -1 1 323.381 3.015 20 30 DGEDMM N#Cc1c(F)cc(CNC(=O)c2c([O-])cccc2Cl)cc1F ZINC001467382383 1183258863 /nfs/dbraw/zinc/25/88/63/1183258863.db2.gz HPNBUWLZDKVEQQ-UHFFFAOYSA-N -1 1 322.698 3.125 20 30 DGEDMM C=CCNc1ncc(C(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC001471700014 1183582470 /nfs/dbraw/zinc/58/24/70/1183582470.db2.gz CIJBYLDKJMFSRL-UHFFFAOYSA-N -1 1 323.805 3.030 20 30 DGEDMM CN(Cc1cc(C#N)cs1)C(=O)c1ncc2ccccc2c1[O-] ZINC001472142402 1183621394 /nfs/dbraw/zinc/62/13/94/1183621394.db2.gz DRBLNMRBZFDJOK-UHFFFAOYSA-N -1 1 323.377 3.146 20 30 DGEDMM Cc1cc(-c2nc3ccc(C#N)cc3[nH]2)cc(C)c1OCC(=O)[O-] ZINC001607558504 1193237097 /nfs/dbraw/zinc/23/70/97/1193237097.db2.gz UKGHMPXOMKCRSX-UHFFFAOYSA-N -1 1 321.336 3.182 20 30 DGEDMM N#Cc1ccc(CN(Cc2ccc(/C=C/C(=O)[O-])o2)C2CC2)cc1 ZINC001608205305 1193283057 /nfs/dbraw/zinc/28/30/57/1193283057.db2.gz ZUYQHHAJNTXMCM-MDZDMXLPSA-N -1 1 322.364 3.414 20 30 DGEDMM C=CCOc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001609460402 1193340094 /nfs/dbraw/zinc/34/00/94/1193340094.db2.gz TXQKNQKLDLAQIM-LBPRGKRZSA-N -1 1 301.342 3.393 20 30 DGEDMM CC[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC001610003198 1193371800 /nfs/dbraw/zinc/37/18/00/1193371800.db2.gz VQELCMIFOXJCJN-CQSZACIVSA-N -1 1 316.401 3.036 20 30 DGEDMM N#CC1(C(=O)[O-])CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001610617685 1193401463 /nfs/dbraw/zinc/40/14/63/1193401463.db2.gz JULMOGNPOCTNAU-CQSZACIVSA-N -1 1 304.777 3.018 20 30 DGEDMM Cc1nc(NC(=O)c2ccc(F)c([O-])c2)sc1SCC#N ZINC001611256314 1193428551 /nfs/dbraw/zinc/42/85/51/1193428551.db2.gz HPLTXUDYKXOYHP-UHFFFAOYSA-N -1 1 323.374 3.164 20 30 DGEDMM Cc1sc(NC(=O)c2cnc3ccccc3c2[O-])c(C#N)c1C ZINC001522969714 1187116206 /nfs/dbraw/zinc/11/62/06/1187116206.db2.gz QUBJJYBLOKCETI-UHFFFAOYSA-N -1 1 323.377 3.330 20 30 DGEDMM N#CC(=C([O-])c1ccnn1C1CCC1)c1nc(C2CC2)cs1 ZINC001525872384 1187337418 /nfs/dbraw/zinc/33/74/18/1187337418.db2.gz DKALSSAXLGKGIW-GFCCVEGCSA-N -1 1 312.398 3.432 20 30 DGEDMM N#CCCN(Cc1ccco1)C(=O)c1ncc2ccccc2c1[O-] ZINC001542438358 1188285203 /nfs/dbraw/zinc/28/52/03/1188285203.db2.gz BQGLTKYFMUEYSV-UHFFFAOYSA-N -1 1 321.336 3.089 20 30 DGEDMM CCSc1cccc(F)c1[N-]C(=O)c1cc(C#N)ccn1 ZINC001544919880 1188414904 /nfs/dbraw/zinc/41/49/04/1188414904.db2.gz IFOXDCAYZQPDAA-UHFFFAOYSA-N -1 1 301.346 3.457 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)c2ccsc2C(F)(F)F)c1 ZINC001557922840 1189092914 /nfs/dbraw/zinc/09/29/14/1189092914.db2.gz RYJQSWJYESERQL-UHFFFAOYSA-N -1 1 312.272 3.362 20 30 DGEDMM C=CCn1cc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2n1 ZINC001558515106 1189130610 /nfs/dbraw/zinc/13/06/10/1189130610.db2.gz ZTFYUYODMVKGBR-UHFFFAOYSA-N -1 1 311.316 3.319 20 30 DGEDMM CCCCCCN([O-])C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001559034731 1189163842 /nfs/dbraw/zinc/16/38/42/1189163842.db2.gz NFRLUVPFBCYJKV-UHFFFAOYSA-N -1 1 307.325 3.287 20 30 DGEDMM N#CCOc1cc(F)ccc1NCc1ccc([O-])c(F)c1F ZINC001621237728 1193820545 /nfs/dbraw/zinc/82/05/45/1193820545.db2.gz CYVNAFPCKGZQGJ-UHFFFAOYSA-N -1 1 308.259 3.324 20 30 DGEDMM CC(C)(C)Oc1ccc(NC(=O)c2ccc([O-])cn2)cc1C#N ZINC001624673636 1194008201 /nfs/dbraw/zinc/00/82/01/1194008201.db2.gz VRPXNPGHHJHKAT-UHFFFAOYSA-N -1 1 311.341 3.088 20 30 DGEDMM C#C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(Cl)cc1F ZINC001636312354 1194606194 /nfs/dbraw/zinc/60/61/94/1194606194.db2.gz OBRLDHQLUUPNTB-CQSZACIVSA-N -1 1 321.710 3.428 20 30 DGEDMM C=C[C@H](C(=O)n1[n-]c(=O)c2ccc(OC)cc21)c1ccccc1 ZINC001636905435 1194640039 /nfs/dbraw/zinc/64/00/39/1194640039.db2.gz HSSONAPGXBXFHK-AWEZNQCLSA-N -1 1 308.337 3.361 20 30 DGEDMM C[C@@H](OCc1ccc(F)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001639078364 1194750016 /nfs/dbraw/zinc/75/00/16/1194750016.db2.gz IISXFXRUIKTUIX-GFCCVEGCSA-N -1 1 321.323 3.288 20 30 DGEDMM COc1ccc(C(=O)N(O)CCCCc2ccccc2)c([O-])c1 ZINC001641861778 1194876031 /nfs/dbraw/zinc/87/60/31/1194876031.db2.gz DPKFUFLUGICQAH-UHFFFAOYSA-N -1 1 315.369 3.255 20 30 DGEDMM N#Cc1ccccc1C(F)(F)C(=O)Nc1cccc(F)c1[O-] ZINC001643686135 1195045998 /nfs/dbraw/zinc/04/59/98/1195045998.db2.gz NNXNIRRCRGKLMW-UHFFFAOYSA-N -1 1 306.243 3.133 20 30 DGEDMM CC(C)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001645416984 1195182624 /nfs/dbraw/zinc/18/26/24/1195182624.db2.gz YHEDHVFLPQNXAK-KRWDZBQOSA-N -1 1 308.381 3.261 20 30 DGEDMM C#C[C@@H]([N-]c1nc2cc(Br)ccc2o1)[C@@H]1CCCO1 ZINC001650989007 1195400980 /nfs/dbraw/zinc/40/09/80/1195400980.db2.gz KEFKMVHYWYDMRD-PWSUYJOCSA-N -1 1 321.174 3.183 20 30 DGEDMM C=C[C@H](CO)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001651268490 1195436088 /nfs/dbraw/zinc/43/60/88/1195436088.db2.gz DYQCVXGCYBCIRU-SNVBAGLBSA-N -1 1 300.145 3.002 20 30 DGEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071140209 1195931696 /nfs/dbraw/zinc/93/16/96/1195931696.db2.gz OSSIOKGSVAPRFP-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1c(C#N)cccc1NCc1ncc(Br)cc1[O-] ZINC001657731007 1196172697 /nfs/dbraw/zinc/17/26/97/1196172697.db2.gz QSAQMAZJWIGMPI-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)o2)CC(C)(C)C1 ZINC001663106021 1196792846 /nfs/dbraw/zinc/79/28/46/1196792846.db2.gz FFOKTVKOUGNNTP-QWHCGFSZSA-N -1 1 324.446 3.282 20 30 DGEDMM N#CCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000313459626 1199765493 /nfs/dbraw/zinc/76/54/93/1199765493.db2.gz GEVTZICCXONYNW-UHFFFAOYSA-N -1 1 306.774 3.207 20 30 DGEDMM C=CC[C@@H](CC)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001573318672 947312157 /nfs/dbraw/zinc/31/21/57/947312157.db2.gz FKQRQVGUTRSJCH-SECBINFHSA-N -1 1 312.299 3.047 20 30 DGEDMM C=CC[C@@H](CC)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001573318672 947312172 /nfs/dbraw/zinc/31/21/72/947312172.db2.gz FKQRQVGUTRSJCH-SECBINFHSA-N -1 1 312.299 3.047 20 30 DGEDMM CC(C)c1nccnc1NN=Cc1cc(Cl)ccc1C(=O)[O-] ZINC001592039470 976761065 /nfs/dbraw/zinc/76/10/65/976761065.db2.gz JVIXIWKSONPING-UHFFFAOYSA-N -1 1 318.764 3.398 20 30 DGEDMM C=C(CCC(=O)[O-])C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC001588633474 983749534 /nfs/dbraw/zinc/74/95/34/983749534.db2.gz IROLKXFFNWNRPY-UHFFFAOYSA-N -1 1 316.401 3.018 20 30 DGEDMM C=CC[C@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001588731683 984011065 /nfs/dbraw/zinc/01/10/65/984011065.db2.gz MUOHGCMZIWOVGF-GFCCVEGCSA-N -1 1 300.185 3.381 20 30 DGEDMM C=CCOc1ccccc1CNCc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001588877199 984451689 /nfs/dbraw/zinc/45/16/89/984451689.db2.gz BMNBOWWWNHWWLA-UHFFFAOYSA-N -1 1 314.385 3.130 20 30 DGEDMM C=CCOc1ccccc1CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001588877496 984453900 /nfs/dbraw/zinc/45/39/00/984453900.db2.gz UFHFVULBXYITIB-CYBMUJFWSA-N -1 1 312.369 3.195 20 30 DGEDMM CC(=NNc1cccc(C(=O)[O-])c1F)c1cnn(C2CCC2)c1 ZINC001589017438 985003661 /nfs/dbraw/zinc/00/36/61/985003661.db2.gz OVOWMWZXSFIYBF-UHFFFAOYSA-N -1 1 316.336 3.282 20 30 DGEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccnn1C1CCC1 ZINC001589017653 985006031 /nfs/dbraw/zinc/00/60/31/985006031.db2.gz XLDHPTWSPOGKSG-UHFFFAOYSA-N -1 1 316.336 3.282 20 30 DGEDMM CN(CC(C)(C)C#N)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598419239 991751412 /nfs/dbraw/zinc/75/14/12/991751412.db2.gz GVPPMXLGLMEFLP-GFCCVEGCSA-N -1 1 314.307 3.313 20 30 DGEDMM CN(CC(C)(C)C#N)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598419242 991752104 /nfs/dbraw/zinc/75/21/04/991752104.db2.gz GVPPMXLGLMEFLP-LBPRGKRZSA-N -1 1 314.307 3.313 20 30 DGEDMM C[C@@H]1CC(=NNc2ccc(C(=O)[O-])c(Cl)c2)c2nccn21 ZINC001594195670 998758947 /nfs/dbraw/zinc/75/89/47/998758947.db2.gz AWLWPKSIUQMDOT-MRVPVSSYSA-N -1 1 304.737 3.016 20 30 DGEDMM CC(C)N(C)c1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cn1 ZINC000588579038 1082730642 /nfs/dbraw/zinc/73/06/42/1082730642.db2.gz LEFVTXMHVCWTCC-DAXSKMNVSA-N -1 1 312.369 3.234 20 30 DGEDMM N#Cc1cccc(C2(NCc3ccc([O-])c(F)c3F)CC2)c1 ZINC001181697167 1083526322 /nfs/dbraw/zinc/52/63/22/1083526322.db2.gz GLXWPDBUHPTROC-UHFFFAOYSA-N -1 1 300.308 3.321 20 30 DGEDMM N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC001182589711 1083758456 /nfs/dbraw/zinc/75/84/56/1083758456.db2.gz BJYOHHUQIIMDPV-ZDUSSCGKSA-N -1 1 310.328 3.462 20 30 DGEDMM N#Cc1cc(NC(=O)C(F)(F)c2ccc(F)cc2)ccc1[O-] ZINC001182890670 1083831218 /nfs/dbraw/zinc/83/12/18/1083831218.db2.gz ODXNMGLHFSFVTR-UHFFFAOYSA-N -1 1 306.243 3.133 20 30 DGEDMM CC(C)(C)[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001186260709 1084621576 /nfs/dbraw/zinc/62/15/76/1084621576.db2.gz CWCLUIQCLJFHOQ-GXTWGEPZSA-N -1 1 324.446 3.282 20 30 DGEDMM CC(=O)n1cc(C(=O)Nc2ccc(C#N)cc2[O-])c2ccccc21 ZINC001154045882 1088454204 /nfs/dbraw/zinc/45/42/04/1088454204.db2.gz XTNABXXVELAQAW-UHFFFAOYSA-N -1 1 319.320 3.131 20 30 DGEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001161580931 1089297041 /nfs/dbraw/zinc/29/70/41/1089297041.db2.gz XGZWNMUEGWPXQV-QGZVFWFLSA-N -1 1 306.365 3.181 20 30 DGEDMM N#CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC001156054009 1089367348 /nfs/dbraw/zinc/36/73/48/1089367348.db2.gz ZEECWBPPQPOPSU-LBPRGKRZSA-N -1 1 308.259 3.120 20 30 DGEDMM N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc([O-])c(F)c1F ZINC001157811795 1090119920 /nfs/dbraw/zinc/11/99/20/1090119920.db2.gz SMFFEHRVJTZTEV-UHFFFAOYSA-N -1 1 324.233 3.273 20 30 DGEDMM CC(=O)C=C(C)Nc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001163742526 1090246681 /nfs/dbraw/zinc/24/66/81/1090246681.db2.gz KWDIHZWWZPWRCI-IQQGHNRFSA-N -1 1 314.307 3.331 20 30 DGEDMM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cccc([O-])c1F ZINC001212546580 1091146297 /nfs/dbraw/zinc/14/62/97/1091146297.db2.gz OKXFUQNIHKPJKF-UHFFFAOYSA-N -1 1 312.279 3.471 20 30 DGEDMM N#Cc1ccc2c(c1)CN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140988048 1092095905 /nfs/dbraw/zinc/09/59/05/1092095905.db2.gz KZFCZZPXFALNOA-UHFFFAOYSA-N -1 1 300.308 3.100 20 30 DGEDMM N#C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(F)cc1 ZINC001141304127 1092201838 /nfs/dbraw/zinc/20/18/38/1092201838.db2.gz MWKPIJHPZGBEGG-HNNXBMFYSA-N -1 1 321.311 3.074 20 30 DGEDMM CCOC(=O)c1cc(C#N)c(Nc2ccccc2C#N)c(C)c1[O-] ZINC001210740491 1093265988 /nfs/dbraw/zinc/26/59/88/1093265988.db2.gz AWTIOFIULPGQMN-UHFFFAOYSA-N -1 1 321.336 3.364 20 30 DGEDMM COC(=O)c1cc(C#N)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210860216 1093304814 /nfs/dbraw/zinc/30/48/14/1093304814.db2.gz QPEFEBQBAZZMKQ-UHFFFAOYSA-N -1 1 302.717 3.447 20 30 DGEDMM N#Cc1cc(F)cc(-c2noc(-c3cc([O-])cnc3Cl)n2)c1 ZINC001213696183 1093643177 /nfs/dbraw/zinc/64/31/77/1093643177.db2.gz KTAPBMFSGNAHES-UHFFFAOYSA-N -1 1 316.679 3.168 20 30 DGEDMM COC(=O)c1ccc([O-])cc1Nc1cccc(Cl)c1C#N ZINC001216128707 1094130695 /nfs/dbraw/zinc/13/06/95/1094130695.db2.gz NXXBNNVFMJCILJ-UHFFFAOYSA-N -1 1 302.717 3.447 20 30 DGEDMM N#CCOc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001212613170 1095489309 /nfs/dbraw/zinc/48/93/09/1095489309.db2.gz GTCREMFNSCMYNF-UHFFFAOYSA-N -1 1 306.325 3.224 20 30 DGEDMM COC(=O)[C@@H]1C[C@H](O/C(=N\[O-])c2ccc(Cl)cc2)C1(C)C ZINC001223593028 1096009781 /nfs/dbraw/zinc/00/97/81/1096009781.db2.gz GZDPYFRISDAZMZ-HALWSDQMSA-N -1 1 311.765 3.080 20 30 DGEDMM [O-]/N=C(\OC[C@H]1Cc2ccccc2O1)c1ccc(Cl)cc1 ZINC001223594812 1096011498 /nfs/dbraw/zinc/01/14/98/1096011498.db2.gz BTLLNTKZXOBPKP-OHTQGHCMSA-N -1 1 303.745 3.496 20 30 DGEDMM N#C[C@@H]1CC[C@@H](O/C(=N\[O-])c2ccccc2Br)C1 ZINC001223885411 1096086105 /nfs/dbraw/zinc/08/61/05/1096086105.db2.gz GZKKZZCRZWSAAT-WBVUFQPPSA-N -1 1 309.163 3.294 20 30 DGEDMM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])ccc1C(C)=O ZINC001225616979 1096483532 /nfs/dbraw/zinc/48/35/32/1096483532.db2.gz RYKSJWIALLECGP-ZDUSSCGKSA-N -1 1 306.358 3.260 20 30 DGEDMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C#N)c1ccccc1F ZINC001225675541 1096502061 /nfs/dbraw/zinc/50/20/61/1096502061.db2.gz XOBOKVMZWKSYKP-OAHLLOKOSA-N -1 1 301.273 3.083 20 30 DGEDMM [O-]/N=C/c1cccc(OC[C@H]2CCC(c3ccccc3)=NO2)c1 ZINC001226116177 1096616766 /nfs/dbraw/zinc/61/67/66/1096616766.db2.gz NQKIIELJPNVVRA-MIQLPHMESA-N -1 1 310.353 3.457 20 30 DGEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1ccc(C(F)(F)F)cc1 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DGEDMM COC(=O)[C@@H](Oc1cc([O-])ccc1C#N)c1cccc(Cl)c1 ZINC001228007817 1097031337 /nfs/dbraw/zinc/03/13/37/1097031337.db2.gz TXJTZGUUYFGXOH-HNNXBMFYSA-N -1 1 317.728 3.210 20 30 DGEDMM C#CC[C@@H](C)Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001228171739 1097068053 /nfs/dbraw/zinc/06/80/53/1097068053.db2.gz NFLXVHISEJHNNE-CYBMUJFWSA-N -1 1 316.378 3.016 20 30 DGEDMM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228185317 1097070488 /nfs/dbraw/zinc/07/04/88/1097070488.db2.gz HMHBLLXVHBKIQN-LLVKDONJSA-N -1 1 324.332 3.221 20 30 DGEDMM C[C@H](CS)Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001229295503 1097291050 /nfs/dbraw/zinc/29/10/50/1097291050.db2.gz AUBIMKLVBYENDF-SNVBAGLBSA-N -1 1 304.367 3.026 20 30 DGEDMM C#C[C@@H](C)Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001229587199 1097349094 /nfs/dbraw/zinc/34/90/94/1097349094.db2.gz SZSWJCOQDJHJLS-WNPFHQFXSA-N -1 1 324.332 3.100 20 30 DGEDMM C#C[C@H](Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O)C(C)C ZINC001229805099 1097390456 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/nfs/dbraw/zinc/12/85/08/283128508.db2.gz JZVGXGNTVTVIRP-UHFFFAOYSA-N -1 1 306.365 3.159 20 30 DGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000005720556 181276216 /nfs/dbraw/zinc/27/62/16/181276216.db2.gz DCPAQRLBUBFMEU-UHFFFAOYSA-N -1 1 322.773 3.021 20 30 DGEDMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188613937 200275270 /nfs/dbraw/zinc/27/52/70/200275270.db2.gz DVSVEJVOIAIFKA-KGLIPLIRSA-N -1 1 304.415 3.058 20 30 DGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000189870816 432099119 /nfs/dbraw/zinc/09/91/19/432099119.db2.gz ZCPOCGLIXUDNAV-VIFPVBQESA-N -1 1 302.280 3.033 20 30 DGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1C2CC3CC(C2)CC1C3 ZINC000442866228 239139907 /nfs/dbraw/zinc/13/99/07/239139907.db2.gz VZKOWHYJKWVKHD-UHFFFAOYSA-N -1 1 310.397 3.161 20 30 DGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1C#N ZINC000152641589 284632956 /nfs/dbraw/zinc/63/29/56/284632956.db2.gz YRPWOWZKYBVEEG-UHFFFAOYSA-N -1 1 316.382 3.146 20 30 DGEDMM CSc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000337536919 253135808 /nfs/dbraw/zinc/13/58/08/253135808.db2.gz HJMKMODDPLVETD-NSHDSACASA-N -1 1 312.394 3.477 20 30 DGEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000343302654 254125665 /nfs/dbraw/zinc/12/56/65/254125665.db2.gz SKYKYGDMXNSUPZ-UHFFFAOYSA-N -1 1 315.760 3.236 20 30 DGEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000343889529 254199876 /nfs/dbraw/zinc/19/98/76/254199876.db2.gz RRHOVNOTHAKBGL-UHFFFAOYSA-N -1 1 315.760 3.236 20 30 DGEDMM CC(C)CC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCC1 ZINC000344190843 254236943 /nfs/dbraw/zinc/23/69/43/254236943.db2.gz TUADIMXSVIQSKK-UHFFFAOYSA-N -1 1 310.419 3.036 20 30 DGEDMM CC(C)(C)CN(CCC#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601039472 400208777 /nfs/dbraw/zinc/20/87/77/400208777.db2.gz LHDDUNYFDKZJDX-UHFFFAOYSA-N -1 1 308.809 3.376 20 30 DGEDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000610500814 400265610 /nfs/dbraw/zinc/26/56/10/400265610.db2.gz OYPSUGKIFNIIQB-UHFFFAOYSA-N -1 1 323.377 3.216 20 30 DGEDMM CC(C)c1ccc(CCNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589158147 400265879 /nfs/dbraw/zinc/26/58/79/400265879.db2.gz JKAFWRMSJWZYLL-UHFFFAOYSA-N -1 1 308.381 3.360 20 30 DGEDMM Cc1ccc(CCCNC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589160084 400266269 /nfs/dbraw/zinc/26/62/69/400266269.db2.gz QKIPPAUPWIMUGM-UHFFFAOYSA-N -1 1 308.381 3.243 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000589165354 400267086 /nfs/dbraw/zinc/26/70/86/400267086.db2.gz VZOZAEJJNKBEQQ-QGZVFWFLSA-N -1 1 310.328 3.380 20 30 DGEDMM CCC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589178247 400268728 /nfs/dbraw/zinc/26/87/28/400268728.db2.gz QRLABCMWLXLQLC-QGZVFWFLSA-N -1 1 308.381 3.405 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(C(F)(F)F)ccc2O)c1 ZINC000589172036 400269185 /nfs/dbraw/zinc/26/91/85/400269185.db2.gz QUVYKMSVIDKKFA-UHFFFAOYSA-N -1 1 322.242 3.241 20 30 DGEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)Cc1ccccc1 ZINC000589182298 400270681 /nfs/dbraw/zinc/27/06/81/400270681.db2.gz XGBHUTUEOIYINO-UHFFFAOYSA-N -1 1 308.381 3.263 20 30 DGEDMM CC1(C)C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccccc21 ZINC000589190903 400271504 /nfs/dbraw/zinc/27/15/04/400271504.db2.gz XKKHTVUAKYBFEQ-KRWDZBQOSA-N -1 1 306.365 3.416 20 30 DGEDMM CC[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1cccc(C)c1 ZINC000589187978 400272438 /nfs/dbraw/zinc/27/24/38/400272438.db2.gz AMXUENXUHPPSBI-QGZVFWFLSA-N -1 1 324.380 3.160 20 30 DGEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)Cc2ccccc21 ZINC000589196611 400273429 /nfs/dbraw/zinc/27/34/29/400273429.db2.gz OTJIIAVVMDUTOX-UHFFFAOYSA-N -1 1 306.365 3.197 20 30 DGEDMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589199296 400275677 /nfs/dbraw/zinc/27/56/77/400275677.db2.gz AMVSJGAODLPGRT-CABZTGNLSA-N -1 1 312.291 3.067 20 30 DGEDMM CC(C)Oc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(F)c1 ZINC000589523787 400304627 /nfs/dbraw/zinc/30/46/27/400304627.db2.gz LCZZEYNYLBOOAP-UHFFFAOYSA-N -1 1 314.316 3.442 20 30 DGEDMM C[C@@H]1CCc2[n-]n(-c3cc(C#N)ccc3Br)c(=O)c21 ZINC000601948589 400384799 /nfs/dbraw/zinc/38/47/99/400384799.db2.gz PRLBTYFMEJJSPO-OQPBUACISA-N -1 1 318.174 3.069 20 30 DGEDMM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)CCC2 ZINC000590452389 400386014 /nfs/dbraw/zinc/38/60/14/400386014.db2.gz XBVDNKYYEFDSAZ-GOSISDBHSA-N -1 1 306.365 3.380 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC3(CCSCC3)CC2)cc1[O-] ZINC000601737536 400342812 /nfs/dbraw/zinc/34/28/12/400342812.db2.gz CHNBRDOFZYNBPF-UHFFFAOYSA-N -1 1 316.426 3.013 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000590515612 400392410 /nfs/dbraw/zinc/39/24/10/400392410.db2.gz KLHULJWYUCVWHX-AWEZNQCLSA-N -1 1 308.337 3.020 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000590515613 400392570 /nfs/dbraw/zinc/39/25/70/400392570.db2.gz KLHULJWYUCVWHX-CQSZACIVSA-N -1 1 308.337 3.020 20 30 DGEDMM Cc1cc(C(C#N)=C([O-])c2ccc3ccccc3n2)nc(C)n1 ZINC000041574344 400409628 /nfs/dbraw/zinc/40/96/28/400409628.db2.gz XHLYLRDERVGBHL-AWEZNQCLSA-N -1 1 302.337 3.132 20 30 DGEDMM C[C@@]1(C#N)CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000612369496 400532257 /nfs/dbraw/zinc/53/22/57/400532257.db2.gz KEYXAMRVNCZQMH-AWEZNQCLSA-N -1 1 312.291 3.177 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000591536423 400536698 /nfs/dbraw/zinc/53/66/98/400536698.db2.gz WAYSCRRLPAEQCK-SNVBAGLBSA-N -1 1 312.291 3.068 20 30 DGEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(Cl)cc1[O-] ZINC000618782791 400687927 /nfs/dbraw/zinc/68/79/27/400687927.db2.gz GYWZJCKKCADMHM-HNNXBMFYSA-N -1 1 312.756 3.335 20 30 DGEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2F)CC2CC2)cc1[O-] ZINC000598252908 400770874 /nfs/dbraw/zinc/77/08/74/400770874.db2.gz ZLFUSZHZGWNWKA-UHFFFAOYSA-N -1 1 324.355 3.455 20 30 DGEDMM CCCn1c2ccccc2nc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614294187 400872280 /nfs/dbraw/zinc/87/22/80/400872280.db2.gz XEWMTVJBNDIXQM-UHFFFAOYSA-N -1 1 320.352 3.276 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000614293155 400872289 /nfs/dbraw/zinc/87/22/89/400872289.db2.gz ZVBRKBJRHPHWBA-UHFFFAOYSA-N -1 1 310.328 3.208 20 30 DGEDMM C[C@@H](OCCCNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614293924 400872362 /nfs/dbraw/zinc/87/23/62/400872362.db2.gz FKRKHNSAXLWKOH-CQSZACIVSA-N -1 1 324.380 3.162 20 30 DGEDMM COc1cccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614293922 400872379 /nfs/dbraw/zinc/87/23/79/400872379.db2.gz FKENYTSKTMKKPD-SFHVURJKSA-N -1 1 322.364 3.250 20 30 DGEDMM CN(Cc1cc2ccccc2o1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614370603 400888248 /nfs/dbraw/zinc/88/82/48/400888248.db2.gz TXBURLQBFYWDKF-UHFFFAOYSA-N -1 1 306.321 3.282 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000614370111 400888435 /nfs/dbraw/zinc/88/84/35/400888435.db2.gz FVKWWZQJIPKCRP-UHFFFAOYSA-N -1 1 312.756 3.336 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000619461413 400851622 /nfs/dbraw/zinc/85/16/22/400851622.db2.gz YMGPHALXMNYMCJ-UHFFFAOYSA-N -1 1 312.394 3.042 20 30 DGEDMM Cc1ccccc1CC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614366854 400886497 /nfs/dbraw/zinc/88/64/97/400886497.db2.gz ZOHBQSOBCSCPLH-UHFFFAOYSA-N -1 1 308.381 3.323 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000619556476 400865735 /nfs/dbraw/zinc/86/57/35/400865735.db2.gz KXCRSAPFULOGJJ-JKSUJKDBSA-N -1 1 312.756 3.203 20 30 DGEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000182842495 400898941 /nfs/dbraw/zinc/89/89/41/400898941.db2.gz ADFZRRXRTBCYLN-HNNXBMFYSA-N -1 1 317.348 3.266 20 30 DGEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000089495646 401225720 /nfs/dbraw/zinc/22/57/20/401225720.db2.gz IBWFKZOGVZJMAQ-UHFFFAOYSA-N -1 1 316.373 3.106 20 30 DGEDMM CCc1nc(SCc2ccc(F)c(C#N)c2)[n-]c(=O)c1C ZINC000594904865 401183854 /nfs/dbraw/zinc/18/38/54/401183854.db2.gz HIBIVYAKNAMPLW-UHFFFAOYSA-N -1 1 303.362 3.356 20 30 DGEDMM C=CCCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccccc1F ZINC000629352905 401679159 /nfs/dbraw/zinc/67/91/59/401679159.db2.gz 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COc1ccc([O-])c(C(=O)/C=C\c2ccc3c(c2)OCCO3)c1 ZINC000033374032 431812219 /nfs/dbraw/zinc/81/22/19/431812219.db2.gz UMZBYPJNUUPJQM-DJWKRKHSSA-N -1 1 312.321 3.068 20 30 DGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000048652230 431929031 /nfs/dbraw/zinc/92/90/31/431929031.db2.gz RMSUZAFAVFNTGA-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000048653239 431929121 /nfs/dbraw/zinc/92/91/21/431929121.db2.gz BOSPONYUDMJGJB-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1Cl ZINC000048652489 431929605 /nfs/dbraw/zinc/92/96/05/431929605.db2.gz QZMJEXBXIJCCPY-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM CCCNc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000192998879 432439080 /nfs/dbraw/zinc/43/90/80/432439080.db2.gz YVDJNGUBETUJDW-UHFFFAOYSA-N -1 1 309.369 3.016 20 30 DGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000193486482 432475370 /nfs/dbraw/zinc/47/53/70/432475370.db2.gz VPLNLNARNQOMPT-UHFFFAOYSA-N -1 1 322.773 3.021 20 30 DGEDMM C=C(C)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000154407072 432495461 /nfs/dbraw/zinc/49/54/61/432495461.db2.gz SYWRMEWOVGFMPO-UHFFFAOYSA-N -1 1 306.362 3.045 20 30 DGEDMM Cc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000189212619 432770280 /nfs/dbraw/zinc/77/02/80/432770280.db2.gz UHGNRLQHVKEWQO-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM COc1ccc([C@H](C)CCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188538344 432731049 /nfs/dbraw/zinc/73/10/49/432731049.db2.gz MOLWBRXCDCJETD-CYBMUJFWSA-N -1 1 324.380 3.196 20 30 DGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000160759616 432739501 /nfs/dbraw/zinc/73/95/01/432739501.db2.gz SJYLFBGZYVZNCG-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179026962 432796431 /nfs/dbraw/zinc/79/64/31/432796431.db2.gz VBTWQDONWXQRAF-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000179024657 432796454 /nfs/dbraw/zinc/79/64/54/432796454.db2.gz CXTUJJYEAXTPLA-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CC1(F)F ZINC000296682644 432925473 /nfs/dbraw/zinc/92/54/73/432925473.db2.gz BNNOVUJDKDYRHE-MLUIRONXSA-N -1 1 315.188 3.340 20 30 DGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1 ZINC000156509604 292731085 /nfs/dbraw/zinc/73/10/85/292731085.db2.gz WLGNHDDWFGPYLM-UHFFFAOYSA-N -1 1 324.361 3.218 20 30 DGEDMM N#CC(=C([O-])c1cccnc1C1CC1)c1cnc2ccccc2n1 ZINC000361524165 433223975 /nfs/dbraw/zinc/22/39/75/433223975.db2.gz JLBQFDDKMQIHSL-CQSZACIVSA-N -1 1 314.348 3.392 20 30 DGEDMM N#Cc1ccc(C(=O)NC2CC(c3ccc(F)cc3)C2)cc1[O-] ZINC000351308187 433464976 /nfs/dbraw/zinc/46/49/76/433464976.db2.gz VJLMKZQEJLJVEU-UHFFFAOYSA-N -1 1 310.328 3.079 20 30 DGEDMM C=CCOCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000292542808 433580969 /nfs/dbraw/zinc/58/09/69/433580969.db2.gz BGYRPSGTNWEQMP-UHFFFAOYSA-N -1 1 302.399 3.452 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000293115029 433619499 /nfs/dbraw/zinc/61/94/99/433619499.db2.gz DHADOZXSSMABBP-UHFFFAOYSA-N -1 1 317.257 3.385 20 30 DGEDMM C=CCOc1cccnc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481550 434806318 /nfs/dbraw/zinc/80/63/18/434806318.db2.gz LVXDRLPSOLCUTA-UHFFFAOYSA-N -1 1 313.288 3.208 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1[O-] ZINC000527487356 435013348 /nfs/dbraw/zinc/01/33/48/435013348.db2.gz ZZNLIZNEBPMJPR-UHFFFAOYSA-N -1 1 324.355 3.423 20 30 DGEDMM CCOc1ccc(C#N)cc1NC(=O)c1cccc(CC)c1[O-] ZINC000538744068 435521962 /nfs/dbraw/zinc/52/19/62/435521962.db2.gz JBFVMYYSTWNHCO-UHFFFAOYSA-N -1 1 310.353 3.477 20 30 DGEDMM CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553435331 314643825 /nfs/dbraw/zinc/64/38/25/314643825.db2.gz SSCXVQHUGPJGKC-STQMWFEESA-N -1 1 310.419 3.034 20 30 DGEDMM N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)C2CC2)cc1[O-] ZINC000565321690 315252887 /nfs/dbraw/zinc/25/28/87/315252887.db2.gz HCRXRSLZOMYVOB-QGZVFWFLSA-N -1 1 306.365 3.187 20 30 DGEDMM N#Cc1cc(F)ccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000575928666 316076889 /nfs/dbraw/zinc/07/68/89/316076889.db2.gz VQADYINKVORRKA-UHFFFAOYSA-N -1 1 311.288 3.423 20 30 DGEDMM N#Cc1ccc(NCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000350812804 323502132 /nfs/dbraw/zinc/50/21/32/323502132.db2.gz HXFSLRHMILFDFG-UHFFFAOYSA-N -1 1 310.288 3.065 20 30 DGEDMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C#N)ccc1OCC ZINC000582967246 324297863 /nfs/dbraw/zinc/29/78/63/324297863.db2.gz CTVSUVFMVQGBNE-ZDUSSCGKSA-N -1 1 310.419 3.277 20 30 DGEDMM Cn1c2ccccc2c(Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000354474940 534712501 /nfs/dbraw/zinc/71/25/01/534712501.db2.gz XJUNTRJYGAVHKA-LLVKDONJSA-N -1 1 310.744 3.112 20 30 DGEDMM CC(=O)c1cc(Cl)cc(CN(CCC#N)CC2CC2)c1[O-] ZINC000177265665 527206202 /nfs/dbraw/zinc/20/62/02/527206202.db2.gz KNJBTWSBIFMRMT-UHFFFAOYSA-N -1 1 306.793 3.374 20 30 DGEDMM CCOc1cc(C(=O)NC[C@]2(C)CCOC2)cc(Cl)c1[O-] ZINC000330878617 528189092 /nfs/dbraw/zinc/18/90/92/528189092.db2.gz LMLRTFLCJLVKTJ-HNNXBMFYSA-N -1 1 313.781 3.176 20 30 DGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)OCO3)n1 ZINC000177771080 528241609 /nfs/dbraw/zinc/24/16/09/528241609.db2.gz VBEKICXOOGMSBT-LLVKDONJSA-N -1 1 314.366 3.485 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C#Cc2ccccc2)c1 ZINC000360199389 529271133 /nfs/dbraw/zinc/27/11/33/529271133.db2.gz QANNSUMEJNHCME-SFHVURJKSA-N -1 1 324.405 3.130 20 30 DGEDMM CCCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000679760781 548949227 /nfs/dbraw/zinc/94/92/27/548949227.db2.gz ZIJCBYLAJMSGFD-HNNXBMFYSA-N -1 1 304.353 3.331 20 30 DGEDMM CC(C)Oc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493276 574755478 /nfs/dbraw/zinc/75/54/78/574755478.db2.gz SAKUDSVUGPLMJP-GOSISDBHSA-N -1 1 324.380 3.261 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cnc2ccc(Cl)cn12 ZINC000737444002 574843757 /nfs/dbraw/zinc/84/37/57/574843757.db2.gz MNSJGJCOKPBBFD-RZNTYIFUSA-N -1 1 312.712 3.310 20 30 DGEDMM N#Cc1ccc([C@@H](NCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739105406 574892387 /nfs/dbraw/zinc/89/23/87/574892387.db2.gz GUBASMCXSJQWJN-OAHLLOKOSA-N -1 1 300.745 3.127 20 30 DGEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000739119158 574893094 /nfs/dbraw/zinc/89/30/94/574893094.db2.gz YRQOWPSXOFWQSV-OAHLLOKOSA-N -1 1 318.735 3.266 20 30 DGEDMM O=C([O-])c1ccc2[nH]cc(C=NNc3nc4ccccc4[nH]3)c2c1 ZINC000740191252 574928181 /nfs/dbraw/zinc/92/81/81/574928181.db2.gz WIFMELHIJHWUOZ-UHFFFAOYSA-N -1 1 319.324 3.188 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cccc(OCC#N)c1)O2 ZINC000730149732 575276429 /nfs/dbraw/zinc/27/64/29/575276429.db2.gz KCDWIRUCVPLBML-SXGWCWSVSA-N -1 1 307.305 3.219 20 30 DGEDMM Cc1nn(C)c2ncc(/C=C3/CCc4cc([O-])ccc4C3=O)cc12 ZINC000726427031 576022607 /nfs/dbraw/zinc/02/26/07/576022607.db2.gz CDMVGDKXOOUSOC-AUWJEWJLSA-N -1 1 319.364 3.195 20 30 DGEDMM C[C@@H]1CCCCN1N=Cc1cc(O)cc(Br)c1[O-] ZINC000853379495 620690798 /nfs/dbraw/zinc/69/07/98/620690798.db2.gz KCNZHPQAZBNTLJ-SECBINFHSA-N -1 1 313.195 3.069 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(Cl)nc2)c(O)c1 ZINC000806558606 617629791 /nfs/dbraw/zinc/62/97/91/617629791.db2.gz HHDDTKLRZMRKQJ-ORCRQEGFSA-N -1 1 303.701 3.035 20 30 DGEDMM Cc1ccc(-c2cc(C(=O)OCc3cccc(C#N)c3)[nH]n2)o1 ZINC000919325684 620746626 /nfs/dbraw/zinc/74/66/26/620746626.db2.gz PJBVPPNRFZSNGD-UHFFFAOYSA-N -1 1 307.309 3.207 20 30 DGEDMM C#Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000891314573 617773109 /nfs/dbraw/zinc/77/31/09/617773109.db2.gz UHXYRNPCPSHGEB-UHFFFAOYSA-N -1 1 309.369 3.022 20 30 DGEDMM CCCCCCCC[C@@H](CO)Nc1cc(Cl)[n-]c(=O)n1 ZINC000897206540 619028874 /nfs/dbraw/zinc/02/88/74/619028874.db2.gz MKARWYXVSBUTJU-NSHDSACASA-N -1 1 301.818 3.359 20 30 DGEDMM CSC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCCC1 ZINC000899468521 619344466 /nfs/dbraw/zinc/34/44/66/619344466.db2.gz AXOWFUIAKPOIGP-UHFFFAOYSA-N -1 1 304.415 3.060 20 30 DGEDMM O=C(N([O-])Cc1ccc(F)cc1)C(F)(F)c1ccccc1F ZINC000900093887 619404089 /nfs/dbraw/zinc/40/40/89/619404089.db2.gz ASKOZMHSSQLAPT-UHFFFAOYSA-N -1 1 313.250 3.475 20 30 DGEDMM Cc1ccc(CO[C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901372759 619491501 /nfs/dbraw/zinc/49/15/01/619491501.db2.gz LRIOIUTVMTZIOK-AWEZNQCLSA-N -1 1 317.360 3.457 20 30 DGEDMM Cc1cccc(O[C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901376320 619492388 /nfs/dbraw/zinc/49/23/88/619492388.db2.gz SRMYIXZWFYXUKW-ZDUSSCGKSA-N -1 1 303.333 3.319 20 30 DGEDMM CCOc1nc(C(=O)[N-]c2sc(C)c(CC)c2C#N)co1 ZINC000903105181 619717465 /nfs/dbraw/zinc/71/74/65/619717465.db2.gz RNKQOBLNWPJAHK-UHFFFAOYSA-N -1 1 305.359 3.130 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cn3cc(C)ccc3n2)c1 ZINC000789143762 625372465 /nfs/dbraw/zinc/37/24/65/625372465.db2.gz RXIHUGJLYJSYHR-GQCTYLIASA-N -1 1 308.337 3.253 20 30 DGEDMM C=CCCc1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908018090 620185318 /nfs/dbraw/zinc/18/53/18/620185318.db2.gz YWEHFYYMVQNEMV-UHFFFAOYSA-N -1 1 309.369 3.431 20 30 DGEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000908661434 620216402 /nfs/dbraw/zinc/21/64/02/620216402.db2.gz XPMJSMRZHJZADJ-OAHLLOKOSA-N -1 1 324.380 3.080 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc3ccccc3nc2Cl)n1 ZINC000916241731 620622464 /nfs/dbraw/zinc/62/24/64/620622464.db2.gz QFRYREKDJWJOKC-UHFFFAOYSA-N -1 1 313.748 3.138 20 30 DGEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1ccc([O-])c(Cl)c1 ZINC000921255228 620845039 /nfs/dbraw/zinc/84/50/39/620845039.db2.gz LVXNXJUPBVLIDZ-UHFFFAOYSA-N -1 1 310.810 3.106 20 30 DGEDMM [O-]c1ccc(C=NO[C@@H]2CCCCO2)cc1Br ZINC000755815534 620891943 /nfs/dbraw/zinc/89/19/43/620891943.db2.gz SIWZMKSMNFGSNZ-GFCCVEGCSA-N -1 1 300.152 3.032 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C1CCc2cc(F)ccc21 ZINC000756898902 621671059 /nfs/dbraw/zinc/67/10/59/621671059.db2.gz HCLDLNRBFFLUOV-UHFFFAOYSA-N -1 1 314.316 3.295 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C#N)cc1 ZINC000756901408 621671417 /nfs/dbraw/zinc/67/14/17/621671417.db2.gz PFFRJUKHSQSNMT-UHFFFAOYSA-N -1 1 309.325 3.101 20 30 DGEDMM CC(=NNc1ccnc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000757465819 621713889 /nfs/dbraw/zinc/71/38/89/621713889.db2.gz YEURDUVYCMBKBN-UHFFFAOYSA-N -1 1 313.307 3.477 20 30 DGEDMM CC(=NNc1cnnc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000757465366 621713944 /nfs/dbraw/zinc/71/39/44/621713944.db2.gz NATKXHMPIHXPCO-UHFFFAOYSA-N -1 1 314.295 3.450 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cccc(F)c2F)c1 ZINC000757472527 621714780 /nfs/dbraw/zinc/71/47/80/621714780.db2.gz JVAKUTYQDPXMPU-XQRVVYSFSA-N -1 1 304.248 3.265 20 30 DGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000805146355 621720202 /nfs/dbraw/zinc/72/02/02/621720202.db2.gz CKFLOJWCMNUGMM-LLVKDONJSA-N -1 1 320.241 3.320 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Br)cc2C)n1 ZINC000759179039 621832259 /nfs/dbraw/zinc/83/22/59/621832259.db2.gz HUIQVFNRROBKAY-UHFFFAOYSA-N -1 1 321.178 3.008 20 30 DGEDMM Cn1cnc2cc(/C=C3/CCc4cc([O-])ccc4C3=O)ccc21 ZINC000761199290 621993915 /nfs/dbraw/zinc/99/39/15/621993915.db2.gz KQDWRJWVAYRXFV-ZSOIEALJSA-N -1 1 304.349 3.491 20 30 DGEDMM C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(C#N)c1[O-] ZINC000866331595 622095188 /nfs/dbraw/zinc/09/51/88/622095188.db2.gz UHPNNXJRNAGLKK-GFCCVEGCSA-N -1 1 309.369 3.266 20 30 DGEDMM CCc1ccc2c(c1)C(=N[N-]c1ncnc3ccsc31)C(=O)N2 ZINC000764841617 622225613 /nfs/dbraw/zinc/22/56/13/622225613.db2.gz RUEJTNFXSSVVKW-UHFFFAOYSA-N -1 1 323.381 3.022 20 30 DGEDMM C=C[C@@](C)(CC)C(=O)NCc1cccc(Br)c1[O-] ZINC000765730960 622284392 /nfs/dbraw/zinc/28/43/92/622284392.db2.gz DXVYTUVFLIBGDI-AWEZNQCLSA-N -1 1 312.207 3.373 20 30 DGEDMM Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)ccc1C#N ZINC000766490476 622334012 /nfs/dbraw/zinc/33/40/12/622334012.db2.gz KARUONZOHVUICN-ZZXKWVIFSA-N -1 1 307.305 3.167 20 30 DGEDMM Cc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769807801 622562487 /nfs/dbraw/zinc/56/24/87/622562487.db2.gz UMTOVAVLCCQYRT-UHFFFAOYSA-N -1 1 324.388 3.041 20 30 DGEDMM CC1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000769808488 622562849 /nfs/dbraw/zinc/56/28/49/622562849.db2.gz JHUSGFQKUZJSLS-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM C#CCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000771199343 622725907 /nfs/dbraw/zinc/72/59/07/622725907.db2.gz JXEVMXSVHOXXHQ-UHFFFAOYSA-N -1 1 310.284 3.260 20 30 DGEDMM C=CCCSCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873063077 623028618 /nfs/dbraw/zinc/02/86/18/623028618.db2.gz IVEUAQXWUARYHD-UHFFFAOYSA-N -1 1 314.838 3.154 20 30 DGEDMM [O-]c1c(O)cc(C=NOC2CCCC2)cc1Br ZINC000774603450 623164516 /nfs/dbraw/zinc/16/45/16/623164516.db2.gz UAUDEARJURCGKZ-UHFFFAOYSA-N -1 1 300.152 3.153 20 30 DGEDMM C#C[C@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000874861203 623377829 /nfs/dbraw/zinc/37/78/29/623377829.db2.gz CBNTUSVOAZUJPN-UMSPYCQHSA-N -1 1 311.303 3.333 20 30 DGEDMM CCCC(CC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000776185694 623391900 /nfs/dbraw/zinc/39/19/00/623391900.db2.gz FBSRUDMNDKLPDT-UHFFFAOYSA-N -1 1 304.398 3.265 20 30 DGEDMM CCCOC(=O)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776595720 623445434 /nfs/dbraw/zinc/44/54/34/623445434.db2.gz FKQMGBLNIJTEKX-UHFFFAOYSA-N -1 1 324.336 3.083 20 30 DGEDMM CC(C)N(C)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776652464 623449113 /nfs/dbraw/zinc/44/91/13/623449113.db2.gz QQFZJYUKGOAPHV-UHFFFAOYSA-N -1 1 309.369 3.361 20 30 DGEDMM C=C(Cl)C[C@H](NCc1cccc([O-])c1Cl)C(=O)OCC ZINC000877671596 623985771 /nfs/dbraw/zinc/98/57/71/623985771.db2.gz LERNXEGMVXDQKA-NSHDSACASA-N -1 1 318.200 3.210 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(C)cc(OC)nc2C)c1 ZINC000781550349 624090567 /nfs/dbraw/zinc/09/05/67/624090567.db2.gz UASDNTUIBPMCME-SOFGYWHQSA-N -1 1 313.353 3.317 20 30 DGEDMM CC(C)C(=O)Nc1ccc(OC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785603076 624696746 /nfs/dbraw/zinc/69/67/46/624696746.db2.gz VHTOSVMCWFDAJN-UHFFFAOYSA-N -1 1 324.336 3.078 20 30 DGEDMM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(F)cc1 ZINC000786827542 624956585 /nfs/dbraw/zinc/95/65/85/624956585.db2.gz LMILOQMMZSCUSV-ZDUSSCGKSA-N -1 1 319.286 3.002 20 30 DGEDMM O=C(/C=C\c1ncc(C(F)(F)F)s1)c1cc(O)ccc1[O-] ZINC000788355848 625136123 /nfs/dbraw/zinc/13/61/23/625136123.db2.gz PRHQJILAYFPDTD-ARJAWSKDSA-N -1 1 315.272 3.469 20 30 DGEDMM O=C(C=Cc1ccc([O-])c(Br)c1)c1cc[nH]c(=O)c1 ZINC000791431211 625801406 /nfs/dbraw/zinc/80/14/06/625801406.db2.gz HKEADCXUOLPKSM-HNQUOIGGSA-N -1 1 320.142 3.151 20 30 DGEDMM C=CCCS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F ZINC000882817897 625826648 /nfs/dbraw/zinc/82/66/48/625826648.db2.gz SMBWZTZRBOQMOP-LLVKDONJSA-N -1 1 309.765 3.142 20 30 DGEDMM Cc1nc(C(C)C)oc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000796749550 626078435 /nfs/dbraw/zinc/07/84/35/626078435.db2.gz VTGSIGQSESEKLV-ZDUSSCGKSA-N -1 1 311.341 3.068 20 30 DGEDMM CC(C)C[C@@H](C)C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000799109461 626272697 /nfs/dbraw/zinc/27/26/97/626272697.db2.gz FPUJQUSGRUBDNI-LLVKDONJSA-N -1 1 318.425 3.367 20 30 DGEDMM COC(=O)c1ccc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])o1 ZINC000799894878 626334138 /nfs/dbraw/zinc/33/41/38/626334138.db2.gz HPEPRODUQPHXJF-GQCTYLIASA-N -1 1 300.310 3.285 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C\c2cnc(N3CCCC3)nc2)c([O-])c1 ZINC000799895700 626334195 /nfs/dbraw/zinc/33/41/95/626334195.db2.gz RQTODCWMUZQPOS-WAYWQWQTSA-N -1 1 323.396 3.295 20 30 DGEDMM Cc1nn(C)c2ncc(/C=C/C(=O)c3c(C)cc(C)cc3[O-])cc12 ZINC000799896795 626334459 /nfs/dbraw/zinc/33/44/59/626334459.db2.gz ZEEXHSJSADJQKX-AATRIKPKSA-N -1 1 321.380 3.495 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c([O-])c1 ZINC000799896126 626334489 /nfs/dbraw/zinc/33/44/89/626334489.db2.gz VBELHRDGHULLAT-HWKANZROSA-N -1 1 323.348 3.236 20 30 DGEDMM CNC(=O)c1ccc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])cc1 ZINC000799896669 626334494 /nfs/dbraw/zinc/33/44/94/626334494.db2.gz XTDHQAJPTGNZPD-TWGQIWQCSA-N -1 1 309.365 3.265 20 30 DGEDMM COC(=O)c1c(F)cccc1NN=Cc1ccc([O-])c(Cl)c1 ZINC000800818406 626376830 /nfs/dbraw/zinc/37/68/30/626376830.db2.gz WIPOSPJBNAZTJO-UHFFFAOYSA-N -1 1 322.723 3.417 20 30 DGEDMM COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)c(C)c1OC ZINC000806571031 626722870 /nfs/dbraw/zinc/72/28/70/626722870.db2.gz OWRMAANRHBMWKF-PXNMLYILSA-N -1 1 312.321 3.334 20 30 DGEDMM CCSCC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000807940356 626779421 /nfs/dbraw/zinc/77/94/21/626779421.db2.gz IWQUYDATXVHDNE-UHFFFAOYSA-N -1 1 302.403 3.060 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C2CC2)cc1 ZINC000808979974 626873056 /nfs/dbraw/zinc/87/30/56/626873056.db2.gz QEAGHUOTJKVRMK-AWEZNQCLSA-N -1 1 323.352 3.076 20 30 DGEDMM N#CCOc1ccccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000809469925 626914368 /nfs/dbraw/zinc/91/43/68/626914368.db2.gz OYVWBIUEWCNOSS-UHFFFAOYSA-N -1 1 311.272 3.151 20 30 DGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2s1 ZINC000809680636 626935645 /nfs/dbraw/zinc/93/56/45/626935645.db2.gz PIQVTMRPGJOLOD-JTQLQIEISA-N -1 1 323.377 3.365 20 30 DGEDMM C=C(C)[C@@H](CC(=O)Nc1cc(F)c([O-])cc1Cl)OCC ZINC000885676312 627042401 /nfs/dbraw/zinc/04/24/01/627042401.db2.gz MNHDPMYBOFAQPD-CYBMUJFWSA-N -1 1 301.745 3.495 20 30 DGEDMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccc(C#N)cn2)c1=O ZINC000887294846 627241254 /nfs/dbraw/zinc/24/12/54/627241254.db2.gz NQWKPNDUTJTMCK-GOSISDBHSA-N -1 1 318.380 3.171 20 30 DGEDMM O=C([N-][C@@H](c1cc(F)ccc1F)C(F)F)C(F)C(F)(F)F ZINC000811472264 627278309 /nfs/dbraw/zinc/27/83/09/627278309.db2.gz CHPNOYYAXDUKDI-YUMQZZPRSA-N -1 1 321.167 3.288 20 30 DGEDMM CC(=NN[C@@H](C)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000811665345 627302879 /nfs/dbraw/zinc/30/28/79/627302879.db2.gz OIDVVJJSSCYTRV-LBPRGKRZSA-N -1 1 302.349 3.312 20 30 DGEDMM C#C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000812352708 627373665 /nfs/dbraw/zinc/37/36/65/627373665.db2.gz AFHSYNBDWICDIV-MRXNPFEDSA-N -1 1 310.740 3.022 20 30 DGEDMM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1csc(C(=O)[O-])c1 ZINC000814919148 627607968 /nfs/dbraw/zinc/60/79/68/627607968.db2.gz MVXCNLKCRVMGMD-UHFFFAOYSA-N -1 1 323.305 3.330 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ncoc2C2CC2)cc1 ZINC000815908186 627712053 /nfs/dbraw/zinc/71/20/53/627712053.db2.gz VIFHJLLYXZTJOA-AWEZNQCLSA-N -1 1 323.352 3.076 20 30 DGEDMM Cc1c(Cl)c(/C=C2\CCc3cc([O-])ccc3C2=O)nn1C ZINC000817345691 627886877 /nfs/dbraw/zinc/88/68/77/627886877.db2.gz IILJOOAPMJLGCX-DHZHZOJOSA-N -1 1 302.761 3.300 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc(F)cc(F)c1 ZINC000822923416 628509302 /nfs/dbraw/zinc/50/93/02/628509302.db2.gz RFJPTMXRUZVCFM-HNQUOIGGSA-N -1 1 318.308 3.103 20 30 DGEDMM CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829497230 629162660 /nfs/dbraw/zinc/16/26/60/629162660.db2.gz ZJQRWNOPUCLDKH-GOSISDBHSA-N -1 1 324.380 3.302 20 30 DGEDMM COc1ccc(C)cc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832252217 629455809 /nfs/dbraw/zinc/45/58/09/629455809.db2.gz IWSKJQRIFRGZIU-ACJLOTCBSA-N -1 1 324.380 3.352 20 30 DGEDMM C=CCSCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833377903 629594667 /nfs/dbraw/zinc/59/46/67/629594667.db2.gz DNJCLKQELXMLBD-LBPRGKRZSA-N -1 1 303.786 3.114 20 30 DGEDMM CC(=NNc1ccc(C(=O)[O-])nc1)c1c(C)nn(C(C)C)c1C ZINC000835006259 629820725 /nfs/dbraw/zinc/82/07/25/629820725.db2.gz CBFNRYUTKCCPCS-UHFFFAOYSA-N -1 1 315.377 3.010 20 30 DGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])C=C[C@@H]2CCOC2)s1 ZINC000835387876 629920595 /nfs/dbraw/zinc/92/05/95/629920595.db2.gz MNLBVPVLBZPPJH-GKUNOOHESA-N -1 1 304.415 3.210 20 30 DGEDMM N#CC1(COC(=O)c2ccc(Br)c([O-])c2)CCC1 ZINC000837592015 630281261 /nfs/dbraw/zinc/28/12/61/630281261.db2.gz PFNMMHHTFIDFPJ-UHFFFAOYSA-N -1 1 310.147 3.005 20 30 DGEDMM CCc1cnc(/C=C\C(=O)c2cc(OC)c([O-])c(OC)c2)s1 ZINC000843270596 630639680 /nfs/dbraw/zinc/63/96/80/630639680.db2.gz BYYQMYFBECSNQX-WAYWQWQTSA-N -1 1 319.382 3.324 20 30 DGEDMM O=C(C#CC1CC1)Nc1c([O-])cc(Br)cc1Cl ZINC000843886226 630702545 /nfs/dbraw/zinc/70/25/45/630702545.db2.gz NHEIBGDNXMVUDC-UHFFFAOYSA-N -1 1 314.566 3.160 20 30 DGEDMM C=C(C)CC[C@@H](C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000845867548 631199698 /nfs/dbraw/zinc/19/96/98/631199698.db2.gz BUJQNZOZZRSNFO-LLVKDONJSA-N -1 1 324.446 3.433 20 30 DGEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000846552234 631259900 /nfs/dbraw/zinc/25/99/00/631259900.db2.gz CSEQYDSZTJUYQF-LLVKDONJSA-N -1 1 301.342 3.109 20 30 DGEDMM C#C[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000848276488 631637845 /nfs/dbraw/zinc/63/78/45/631637845.db2.gz DBFUPGNNKASPMM-LLVKDONJSA-N -1 1 314.772 3.079 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(OC)c(OC)c2)c1 ZINC000108107949 631805296 /nfs/dbraw/zinc/80/52/96/631805296.db2.gz IMKDKCPLUHCOBP-DAXSKMNVSA-N -1 1 314.337 3.314 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(O[C@H]2CCOC2)cc1 ZINC000849250124 631865276 /nfs/dbraw/zinc/86/52/76/631865276.db2.gz QPVIPPZMHKCVGZ-YHTSIIMFSA-N -1 1 322.360 3.382 20 30 DGEDMM N#C[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(F)cc1 ZINC000792929789 660994720 /nfs/dbraw/zinc/99/47/20/660994720.db2.gz RMICPUIQAZHKOO-HNNXBMFYSA-N -1 1 318.298 3.385 20 30 DGEDMM CCOC(=O)c1scnc1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000794941565 661115068 /nfs/dbraw/zinc/11/50/68/661115068.db2.gz RBYLSBYMVRFSAU-FNORWQNLSA-N -1 1 317.366 3.230 20 30 DGEDMM CCOc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1OC ZINC000255114933 655601040 /nfs/dbraw/zinc/60/10/40/655601040.db2.gz FBDMTZMQFOQUTR-DAXSKMNVSA-N -1 1 314.337 3.401 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3)o2)c(=O)o1 ZINC000255386376 655723843 /nfs/dbraw/zinc/72/38/43/655723843.db2.gz PWFDGCJNMBFLGG-YPLUBFQTSA-N -1 1 322.316 3.175 20 30 DGEDMM O=C(/C=C\c1c(Cl)nc2ccccn21)c1cc(O)ccc1[O-] ZINC000255497841 655770017 /nfs/dbraw/zinc/77/00/17/655770017.db2.gz IAFJLBFTSSMRRS-ALCCZGGFSA-N -1 1 314.728 3.295 20 30 DGEDMM COCCOc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000255514307 655783965 /nfs/dbraw/zinc/78/39/65/655783965.db2.gz CYMSRPAKLIHHML-ALCCZGGFSA-N -1 1 314.337 3.019 20 30 DGEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)c(OC)c1 ZINC000255733294 655892554 /nfs/dbraw/zinc/89/25/54/655892554.db2.gz PINBOCXDRPCONM-CLTKARDFSA-N -1 1 302.301 3.445 20 30 DGEDMM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(-c2ccncc2)n1 ZINC000066405061 655949504 /nfs/dbraw/zinc/94/95/04/655949504.db2.gz PGYHJRZAHCPFCW-DAXSKMNVSA-N -1 1 305.337 3.084 20 30 DGEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])cc(Cl)c1O ZINC000156663064 658932352 /nfs/dbraw/zinc/93/23/52/658932352.db2.gz MYYXXDPPHGCCKL-DUXPYHPUSA-N -1 1 320.728 3.362 20 30 DGEDMM COc1ccc(/C=C\C(=O)c2cc(OC)ccc2[O-])c(OC)c1 ZINC000035191467 661294591 /nfs/dbraw/zinc/29/45/91/661294591.db2.gz JVWYLYZJBRZQMW-YVMONPNESA-N -1 1 314.337 3.314 20 30 DGEDMM N#CCOc1cccc(CC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000089759192 662247487 /nfs/dbraw/zinc/24/74/87/662247487.db2.gz IIXLMDRDBUIXHG-UHFFFAOYSA-N -1 1 316.744 3.129 20 30 DGEDMM CCCCCCC[C@H](C)CNc1ncncc1-c1nn[n-]n1 ZINC001577505945 1191906238 /nfs/dbraw/zinc/90/62/38/1191906238.db2.gz PHXKTQJLXZMGOJ-LBPRGKRZSA-N -1 1 303.414 3.065 20 30 DGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([O-])cn1 ZINC001586881343 1192355559 /nfs/dbraw/zinc/35/55/59/1192355559.db2.gz GGAWJRDCYQMDSA-UHFFFAOYSA-N -1 1 308.790 3.331 20 30 DGEDMM C=CCCCCCCCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588593997 1192451377 /nfs/dbraw/zinc/45/13/77/1192451377.db2.gz NTWCSGRQHSDJEQ-UHFFFAOYSA-N -1 1 315.425 3.294 20 30 DGEDMM C=CCCCCCCCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588593997 1192451379 /nfs/dbraw/zinc/45/13/79/1192451379.db2.gz NTWCSGRQHSDJEQ-UHFFFAOYSA-N -1 1 315.425 3.294 20 30 DGEDMM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)oc1C ZINC001591906944 1192580313 /nfs/dbraw/zinc/58/03/13/1192580313.db2.gz QWQYEVXTCCANDN-HYXAFXHYSA-N -1 1 300.343 3.034 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C#N ZINC001591958916 1192583143 /nfs/dbraw/zinc/58/31/43/1192583143.db2.gz ICAAHMRFNFMLAJ-HYXAFXHYSA-N -1 1 321.365 3.004 20 30 DGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C#N ZINC001591958916 1192583147 /nfs/dbraw/zinc/58/31/47/1192583147.db2.gz ICAAHMRFNFMLAJ-HYXAFXHYSA-N -1 1 321.365 3.004 20 30 DGEDMM N#C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)C1CCCC1 ZINC001592668583 1192626659 /nfs/dbraw/zinc/62/66/59/1192626659.db2.gz GBTOVHDSEDJNSX-LBPRGKRZSA-N -1 1 303.366 3.180 20 30 DGEDMM Cc1cc([C@H](NCc2cccc(C#N)c2F)C(=O)[O-])ccc1F ZINC001600148930 1192795243 /nfs/dbraw/zinc/79/52/43/1192795243.db2.gz KROHDRGYQQAMHZ-INIZCTEOSA-N -1 1 316.307 3.060 20 30 DGEDMM CC(=O)N1Cc2ccc(N[C@@H](C)c3cccc(C#N)c3[O-])cc2C1 ZINC001331972439 1178324466 /nfs/dbraw/zinc/32/44/66/1178324466.db2.gz MIPBIBVWDQIWMU-LBPRGKRZSA-N -1 1 321.380 3.299 20 30 DGEDMM N#Cc1ccc(C2=CCN(Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC001601097977 1192918671 /nfs/dbraw/zinc/91/86/71/1192918671.db2.gz RDHHEKICZZRKOF-UHFFFAOYSA-N -1 1 308.337 3.139 20 30 DGEDMM N#Cc1cccc(CNCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001601123324 1192920431 /nfs/dbraw/zinc/92/04/31/1192920431.db2.gz VPGPZFKVFBUOKZ-UHFFFAOYSA-N -1 1 300.745 3.200 20 30 DGEDMM C=CCOCCCC(=O)Nc1ccc(Br)c([O-])c1 ZINC001343492394 1179285127 /nfs/dbraw/zinc/28/51/27/1179285127.db2.gz VUPFDWHEYKIHRQ-UHFFFAOYSA-N -1 1 314.179 3.076 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(P(C)(C)=O)cc2)n1 ZINC001345951146 1179628037 /nfs/dbraw/zinc/62/80/37/1179628037.db2.gz FNJUHOSUFRHYJF-CYBMUJFWSA-N -1 1 318.338 3.190 20 30 DGEDMM CCc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001347063333 1179773793 /nfs/dbraw/zinc/77/37/93/1179773793.db2.gz IZCHFMKPYXQVRN-OAHLLOKOSA-N -1 1 316.364 3.264 20 30 DGEDMM C#C[C@@H](C)N(C)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001602670218 1192994060 /nfs/dbraw/zinc/99/40/60/1192994060.db2.gz QOZFYQFLWUUKRZ-OAHLLOKOSA-N -1 1 323.392 3.417 20 30 DGEDMM C=C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC001602804960 1192997848 /nfs/dbraw/zinc/99/78/48/1192997848.db2.gz VRMCWBIGXGHAKC-LBPRGKRZSA-N -1 1 321.336 3.169 20 30 DGEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc(O)c(F)c1 ZINC001602992407 1193005422 /nfs/dbraw/zinc/00/54/22/1193005422.db2.gz YRVAVOGWJZWACS-UHFFFAOYSA-N -1 1 306.268 3.205 20 30 DGEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc([O-])c1F ZINC001446650574 1182174088 /nfs/dbraw/zinc/17/40/88/1182174088.db2.gz WAQBBQVGJBGJRX-JTQLQIEISA-N -1 1 300.289 3.074 20 30 DGEDMM COc1ccc(NC(=O)c2[nH]c3ccccc3c2C#N)c([O-])c1 ZINC001447812815 1182197343 /nfs/dbraw/zinc/19/73/43/1182197343.db2.gz NLONVVLBDQKFPU-UHFFFAOYSA-N -1 1 307.309 3.006 20 30 DGEDMM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(F)ccc1[O-] ZINC001456029109 1182393419 /nfs/dbraw/zinc/39/34/19/1182393419.db2.gz ZMFJIFYXEHNQBE-UHFFFAOYSA-N -1 1 312.344 3.154 20 30 DGEDMM N#CC1(CCCCSc2cccnc2-c2nnn[n-]2)CCC1 ZINC001606343915 1193198851 /nfs/dbraw/zinc/19/88/51/1193198851.db2.gz VDHDPIFVXGIHAJ-UHFFFAOYSA-N -1 1 314.418 3.218 20 30 DGEDMM N#CC1(CCCCSc2cccnc2-c2nn[n-]n2)CCC1 ZINC001606343915 1193198853 /nfs/dbraw/zinc/19/88/53/1193198853.db2.gz VDHDPIFVXGIHAJ-UHFFFAOYSA-N -1 1 314.418 3.218 20 30 DGEDMM C#CCC1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCCC1 ZINC001464622473 1183104506 /nfs/dbraw/zinc/10/45/06/1183104506.db2.gz OTPYQVBMLYDZSQ-UHFFFAOYSA-N -1 1 317.410 3.437 20 30 DGEDMM C=C[C@@H](C)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001466024742 1183183065 /nfs/dbraw/zinc/18/30/65/1183183065.db2.gz LBGOCQPDEDHMMP-MRVPVSSYSA-N -1 1 321.174 3.007 20 30 DGEDMM C[C@H](C#N)CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001466533909 1183210380 /nfs/dbraw/zinc/21/03/80/1183210380.db2.gz UUXHTXGXKOYASS-SECBINFHSA-N -1 1 312.291 3.175 20 30 DGEDMM N#CC(C(=O)c1ccc(C(=O)[O-])s1)c1nccc2ccccc21 ZINC001608170093 1193280527 /nfs/dbraw/zinc/28/05/27/1193280527.db2.gz IYXATBGGSJQXKK-LBPRGKRZSA-N -1 1 322.345 3.485 20 30 DGEDMM N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC001608215225 1193283894 /nfs/dbraw/zinc/28/38/94/1193283894.db2.gz ZJOICMQNHIBDHO-QZTJIDSGSA-N -1 1 324.355 3.490 20 30 DGEDMM N#Cc1cccc([C@@H](NCc2ccc(C3CC3)cc2F)C(=O)[O-])c1 ZINC001608214423 1193283957 /nfs/dbraw/zinc/28/39/57/1193283957.db2.gz AEMYLHOEACJOHI-GOSISDBHSA-N -1 1 324.355 3.490 20 30 DGEDMM N#Cc1cccc(C2(NCc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC001608217769 1193284523 /nfs/dbraw/zinc/28/45/23/1193284523.db2.gz SMAPXUKEERPTHX-UHFFFAOYSA-N -1 1 310.328 3.174 20 30 DGEDMM COc1ccc(O)c(C(C)N=Nc2cccc(F)c2C(=O)[O-])c1 ZINC001610343890 1193383760 /nfs/dbraw/zinc/38/37/60/1193383760.db2.gz AXRNWNLXFCPTSI-UHFFFAOYSA-N -1 1 318.304 3.074 20 30 DGEDMM Cc1cc(CN=Nc2nc3ccccc3cc2C)[nH]c1C(=O)[O-] ZINC001610479785 1193391617 /nfs/dbraw/zinc/39/16/17/1193391617.db2.gz FNFWFFJYLHIQBT-UHFFFAOYSA-N -1 1 308.341 3.324 20 30 DGEDMM N#Cc1c(CN2CCC[C@H](c3ccncc3)C2)cccc1C(=O)[O-] ZINC001610622704 1193401476 /nfs/dbraw/zinc/40/14/76/1193401476.db2.gz CJGYUCGDXGIRMG-HNNXBMFYSA-N -1 1 321.380 3.031 20 30 DGEDMM Cc1ccc2[nH]c(C([O-])=C(C#N)c3ccncn3)c(Cl)c2c1 ZINC001516768149 1186792393 /nfs/dbraw/zinc/79/23/93/1186792393.db2.gz QYJMYEIJCQRFLZ-NSHDSACASA-N -1 1 310.744 3.410 20 30 DGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001544326919 1188388926 /nfs/dbraw/zinc/38/89/26/1188388926.db2.gz SEFBLEUOXDFRAZ-UHFFFAOYSA-N -1 1 312.344 3.454 20 30 DGEDMM CCCCCCC[C@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001544953502 1188416087 /nfs/dbraw/zinc/41/60/87/1188416087.db2.gz URNLSTRRVTWDKU-LBPRGKRZSA-N -1 1 323.393 3.422 20 30 DGEDMM Cc1ccc(-c2nsc([N-]C(=O)c3coc(C#N)c3)n2)s1 ZINC001558925238 1189157125 /nfs/dbraw/zinc/15/71/25/1189157125.db2.gz AVVBMHIVSDECDG-UHFFFAOYSA-N -1 1 316.367 3.292 20 30 DGEDMM N#CCc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC001570705594 1190923882 /nfs/dbraw/zinc/92/38/82/1190923882.db2.gz RXCSIHJTCOCMPD-UHFFFAOYSA-N -1 1 300.745 3.042 20 30 DGEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ncc2ccccc2c1[O-] ZINC001624294197 1193991157 /nfs/dbraw/zinc/99/11/57/1193991157.db2.gz XKKQNAZJWODKID-UHFFFAOYSA-N -1 1 317.348 3.084 20 30 DGEDMM CN(Cc1cccc(C#N)c1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001624293964 1193991294 /nfs/dbraw/zinc/99/12/94/1193991294.db2.gz SHGSMMJBAFWQHG-UHFFFAOYSA-N -1 1 314.772 3.118 20 30 DGEDMM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ncccc1F ZINC001626503066 1194080826 /nfs/dbraw/zinc/08/08/26/1194080826.db2.gz IXMIQZNGLCTDLA-SNVBAGLBSA-N -1 1 319.286 3.062 20 30 DGEDMM N#CCSc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC001632378001 1194385266 /nfs/dbraw/zinc/38/52/66/1194385266.db2.gz GFQBKCFBPITQLS-UHFFFAOYSA-N -1 1 302.330 3.399 20 30 DGEDMM CCc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)CCO2 ZINC001632505953 1194392531 /nfs/dbraw/zinc/39/25/31/1194392531.db2.gz GEBSCBCGZPMSIX-MRXNPFEDSA-N -1 1 322.364 3.080 20 30 DGEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc([O-])cn2)CC1 ZINC001633546586 1194442177 /nfs/dbraw/zinc/44/21/77/1194442177.db2.gz CSYYIXCWPQJNAY-UHFFFAOYSA-N -1 1 301.390 3.016 20 30 DGEDMM N#Cc1ccccc1/C=C\C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001633819431 1194457755 /nfs/dbraw/zinc/45/77/55/1194457755.db2.gz WDWUEMITBMXTDU-VURMDHGXSA-N -1 1 312.756 3.247 20 30 DGEDMM Cc1cnc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c([O-])c1 ZINC001634670949 1194508502 /nfs/dbraw/zinc/50/85/02/1194508502.db2.gz QMBVEKVWWCSXHD-UHFFFAOYSA-N -1 1 315.417 3.324 20 30 DGEDMM CO[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(C)C ZINC001641847803 1194874711 /nfs/dbraw/zinc/87/47/11/1194874711.db2.gz KDQUYDZHBTYCFW-GFCCVEGCSA-N -1 1 306.189 3.382 20 30 DGEDMM O=C(COCc1ccccn1)N([O-])Cc1cccc2ccccc21 ZINC001654825987 1195845630 /nfs/dbraw/zinc/84/56/30/1195845630.db2.gz KOUSFGPXFIHDHZ-UHFFFAOYSA-N -1 1 322.364 3.169 20 30 DGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1F ZINC000071140176 1195932105 /nfs/dbraw/zinc/93/21/05/1195932105.db2.gz OZJQMAVQDMFGJP-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM C=C(C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001661518152 1196614746 /nfs/dbraw/zinc/61/47/46/1196614746.db2.gz WCHCDMNCVKURBX-UHFFFAOYSA-N -1 1 301.820 3.409 20 30 DGEDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)o2)CC(C)(C)C1 ZINC001663106019 1196792827 /nfs/dbraw/zinc/79/28/27/1196792827.db2.gz FFOKTVKOUGNNTP-CHWSQXEVSA-N -1 1 324.446 3.282 20 30 DGEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001664645529 1197024901 /nfs/dbraw/zinc/02/49/01/1197024901.db2.gz HRXUSFZNQOTMMZ-UHFFFAOYSA-N -1 1 323.245 3.269 20 30 DGEDMM C#CC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCC1 ZINC001665734382 1197183480 /nfs/dbraw/zinc/18/34/80/1197183480.db2.gz XETVLNCGCNCCNX-UHFFFAOYSA-N -1 1 324.254 3.279 20 30 DGEDMM C=CC(C)(C)CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001573306616 947174070 /nfs/dbraw/zinc/17/40/70/947174070.db2.gz LRYKJHORECXIQQ-UHFFFAOYSA-N -1 1 323.404 3.214 20 30 DGEDMM C=CC(C)(C)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001573306616 947174074 /nfs/dbraw/zinc/17/40/74/947174074.db2.gz LRYKJHORECXIQQ-UHFFFAOYSA-N -1 1 323.404 3.214 20 30 DGEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC001594601711 956139196 /nfs/dbraw/zinc/13/91/96/956139196.db2.gz PTMPDBRIBXASDN-GFCCVEGCSA-N -1 1 312.350 3.209 20 30 DGEDMM C=CCN(Cc1ccccc1)Cc1ccccc1OCC(=O)[O-] ZINC001231794541 960625554 /nfs/dbraw/zinc/62/55/54/960625554.db2.gz CMJGFOWFQVRUEG-UHFFFAOYSA-N -1 1 311.381 3.338 20 30 DGEDMM C=CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001353896475 962667055 /nfs/dbraw/zinc/66/70/55/962667055.db2.gz LIISSYSPGFDLFF-UHFFFAOYSA-N -1 1 315.369 3.483 20 30 DGEDMM CC(C)c1[nH]c(CN(C)Cc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001591910619 976322644 /nfs/dbraw/zinc/32/26/44/976322644.db2.gz KYCNJYDUORGLAW-UHFFFAOYSA-N -1 1 311.385 3.340 20 30 DGEDMM C#CC1(NCc2ccc(C(=O)[O-])cc2Br)CCCC1 ZINC001588379736 983365350 /nfs/dbraw/zinc/36/53/50/983365350.db2.gz PTXQAKXKHZEKEQ-UHFFFAOYSA-N -1 1 322.202 3.183 20 30 DGEDMM C=C[C@@H](N[C@@H](C)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC001588693074 983890033 /nfs/dbraw/zinc/89/00/33/983890033.db2.gz QSRCZDSMUAPILZ-UPONEAKYSA-N -1 1 320.133 3.017 20 30 DGEDMM CSc1ccc(CNCc2csc(C(=O)[O-])c2)cc1C#N ZINC001599815048 988407752 /nfs/dbraw/zinc/40/77/52/988407752.db2.gz UKPARJDADTUQEW-UHFFFAOYSA-N -1 1 318.423 3.330 20 30 DGEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)C1CC(OC(C)(C)C)C1 ZINC001598525470 992714859 /nfs/dbraw/zinc/71/48/59/992714859.db2.gz LHFPBNXXCMSMJA-UHFFFAOYSA-N -1 1 316.401 3.034 20 30 DGEDMM C[C@H](NCCC1(C#N)CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593262948 994558932 /nfs/dbraw/zinc/55/89/32/994558932.db2.gz ZZVITQCBSYFNRP-NSHDSACASA-N -1 1 307.419 3.356 20 30 DGEDMM Cc1ccc(SC(F)(F)F)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193150743 1100712409 /nfs/dbraw/zinc/71/24/09/1100712409.db2.gz JBWUELVKCYIWRQ-MRVPVSSYSA-N -1 1 324.349 3.261 20 30 DGEDMM C#CCOCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167444487 1082134550 /nfs/dbraw/zinc/13/45/50/1082134550.db2.gz HEQOPGJWJUPGFX-UHFFFAOYSA-N -1 1 303.745 3.177 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cnn(Cc2ccccc2)c1 ZINC000588535039 1082573825 /nfs/dbraw/zinc/57/38/25/1082573825.db2.gz KOZWBZGJPKNTKY-CAOOACKPSA-N -1 1 316.360 3.459 20 30 DGEDMM C[C@H](CC(=O)c1ccccc1)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001182166069 1083635833 /nfs/dbraw/zinc/63/58/33/1083635833.db2.gz BJDIXAFQFMLYQC-GFCCVEGCSA-N -1 1 308.337 3.111 20 30 DGEDMM N#Cc1ccc(OCC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001184283075 1084151722 /nfs/dbraw/zinc/15/17/22/1084151722.db2.gz BWQDOLYXBINHPQ-UHFFFAOYSA-N -1 1 316.744 3.008 20 30 DGEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccc(F)c(F)c1F ZINC001185331204 1084422141 /nfs/dbraw/zinc/42/21/41/1084422141.db2.gz PKIAQHJFARPQFA-UHFFFAOYSA-N -1 1 307.231 3.325 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185520310 1084463161 /nfs/dbraw/zinc/46/31/61/1084463161.db2.gz DFZRPQYRNIECOZ-UHFFFAOYSA-N -1 1 305.786 3.431 20 30 DGEDMM N#Cc1cccc([O-])c1NC(=O)Nc1c(F)cc(F)cc1F ZINC001186060167 1084584945 /nfs/dbraw/zinc/58/49/45/1084584945.db2.gz WTVAECRPKRJYIB-UHFFFAOYSA-N -1 1 307.231 3.325 20 30 DGEDMM CC(C)n1nc(C(=O)Nc2ccc(C#N)cc2[O-])c2ccccc21 ZINC001153923425 1088409546 /nfs/dbraw/zinc/40/95/46/1088409546.db2.gz VQIPOCLJTWQYIZ-UHFFFAOYSA-N -1 1 320.352 3.447 20 30 DGEDMM C=C(CC)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001154423630 1088603995 /nfs/dbraw/zinc/60/39/95/1088603995.db2.gz UXMIVDYJNFQHMW-UHFFFAOYSA-N -1 1 316.401 3.359 20 30 DGEDMM N#Cc1cc2c(nc1-c1ccc([O-])cc1C(F)(F)F)CCOC2 ZINC001205080430 1091096707 /nfs/dbraw/zinc/09/67/07/1091096707.db2.gz YQQPPNHNOCKUGL-UHFFFAOYSA-N -1 1 320.270 3.417 20 30 DGEDMM [O-]N=Cc1ccccc1-c1ccc(CN2CCOCC2)cc1F ZINC001206740134 1091718602 /nfs/dbraw/zinc/71/86/02/1091718602.db2.gz RHINYPSARQFMMV-UHFFFAOYSA-N -1 1 314.360 3.133 20 30 DGEDMM 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N#Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1[O-] ZINC000190009377 432112710 /nfs/dbraw/zinc/11/27/10/432112710.db2.gz NBHSUOGKXNFJBC-KRWDZBQOSA-N -1 1 306.365 3.111 20 30 DGEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)cc1 ZINC000190009254 432113166 /nfs/dbraw/zinc/11/31/66/432113166.db2.gz CBTWAZSKVFXAMR-MRXNPFEDSA-N -1 1 310.353 3.154 20 30 DGEDMM Cc1cc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c(C)s1 ZINC000190326178 432143797 /nfs/dbraw/zinc/14/37/97/432143797.db2.gz LTFHTVONRFYYBT-JTQLQIEISA-N -1 1 300.383 3.433 20 30 DGEDMM CSc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000337872641 253187243 /nfs/dbraw/zinc/18/72/43/253187243.db2.gz SAZJXSZLRINUAK-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344408947 254267409 /nfs/dbraw/zinc/26/74/09/254267409.db2.gz MITUJEQSWZBSLI-OCCSQVGLSA-N -1 1 310.419 3.034 20 30 DGEDMM Cc1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1C#N ZINC000344933902 254317542 /nfs/dbraw/zinc/31/75/42/254317542.db2.gz YLORQKDEVJVNEZ-UHFFFAOYSA-N -1 1 303.293 3.330 20 30 DGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000066587681 400101081 /nfs/dbraw/zinc/10/10/81/400101081.db2.gz PDMVSBUVBZYXPB-UHFFFAOYSA-N -1 1 303.383 3.442 20 30 DGEDMM Cc1ccn(-c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)n1 ZINC000586842704 400167299 /nfs/dbraw/zinc/16/72/99/400167299.db2.gz CCNFEMYTOVNOCX-UHFFFAOYSA-N -1 1 318.336 3.010 20 30 DGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000026252879 400255569 /nfs/dbraw/zinc/25/55/69/400255569.db2.gz RJXDQCXBCWCSLY-DTWKUNHWSA-N -1 1 314.242 3.354 20 30 DGEDMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(C#N)c1 ZINC000610366720 400251059 /nfs/dbraw/zinc/25/10/59/400251059.db2.gz SPOVJKGPPVHDJS-SNVBAGLBSA-N -1 1 300.745 3.408 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc3ccccc32)c1 ZINC000589168326 400267660 /nfs/dbraw/zinc/26/76/60/400267660.db2.gz KXFQSSKOGUCVLM-UHFFFAOYSA-N -1 1 302.333 3.347 20 30 DGEDMM CCCOCc1ccccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170567 400268853 /nfs/dbraw/zinc/26/88/53/400268853.db2.gz RHTAQPYJIQTDPR-UHFFFAOYSA-N -1 1 324.380 3.120 20 30 DGEDMM Cc1[nH]c2ccccc2c1CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589174906 400269227 /nfs/dbraw/zinc/26/92/27/400269227.db2.gz AKLAQRSVXCWSDT-UHFFFAOYSA-N -1 1 319.364 3.026 20 30 DGEDMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589180811 400270211 /nfs/dbraw/zinc/27/02/11/400270211.db2.gz IZBIDNKHMBCAJT-SUMWQHHRSA-N -1 1 306.365 3.282 20 30 DGEDMM N#C[C@@H](Cc1ccccc1)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000589261377 400283867 /nfs/dbraw/zinc/28/38/67/400283867.db2.gz UIPYISPZNYXHQT-SNVBAGLBSA-N -1 1 307.325 3.347 20 30 DGEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601189497 400259310 /nfs/dbraw/zinc/25/93/10/400259310.db2.gz JDQBQSSSSSMYEB-MEDUHNTESA-N -1 1 306.793 3.177 20 30 DGEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)cccc1-c1ncco1 ZINC000590407492 400384398 /nfs/dbraw/zinc/38/43/98/400384398.db2.gz RJJCNEDTGNCXAE-UHFFFAOYSA-N -1 1 319.320 3.480 20 30 DGEDMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc(C#N)cc1 ZINC000045218034 400515631 /nfs/dbraw/zinc/51/56/31/400515631.db2.gz MUYRFDRMAQLDLM-JTQLQIEISA-N -1 1 300.745 3.408 20 30 DGEDMM N#Cc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000045224278 400515697 /nfs/dbraw/zinc/51/56/97/400515697.db2.gz UTFPREVKYWWZRN-UHFFFAOYSA-N -1 1 302.333 3.347 20 30 DGEDMM Cc1nnc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)s1 ZINC000597179113 400579029 /nfs/dbraw/zinc/57/90/29/400579029.db2.gz FWSWQEMSJMTCIB-VIFPVBQESA-N -1 1 318.427 3.351 20 30 DGEDMM C=CCC1(NC(=O)c2cc3ccccc3cc2[O-])CCOCC1 ZINC000618246559 400549419 /nfs/dbraw/zinc/54/94/19/400549419.db2.gz PGHMEHJPXJBYKK-UHFFFAOYSA-N -1 1 311.381 3.401 20 30 DGEDMM CC1(C)CCCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1C#N ZINC000597568959 400647240 /nfs/dbraw/zinc/64/72/40/400647240.db2.gz SBGIPGGHXHJZEL-AWEZNQCLSA-N -1 1 309.369 3.095 20 30 DGEDMM CC(C)[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)c2ccccc2N1 ZINC000618935268 400722267 /nfs/dbraw/zinc/72/22/67/400722267.db2.gz BWXQDYQXONFFMF-QGZVFWFLSA-N -1 1 321.380 3.361 20 30 DGEDMM Cc1nc(NC(=O)c2ccc([O-])c(F)c2)sc1SCC#N ZINC000613502809 400737257 /nfs/dbraw/zinc/73/72/57/400737257.db2.gz LDFGAYSLWQNPTN-UHFFFAOYSA-N -1 1 323.374 3.164 20 30 DGEDMM N#CC(=C([O-])c1n[nH]c2c1CCCC2)c1ccc2ccccc2n1 ZINC000613290937 400691056 /nfs/dbraw/zinc/69/10/56/400691056.db2.gz PJJZLFHBHPXEPO-AWEZNQCLSA-N -1 1 316.364 3.327 20 30 DGEDMM N#Cc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000603626745 400705865 /nfs/dbraw/zinc/70/58/65/400705865.db2.gz WFCBGZIRRXPTGV-UHFFFAOYSA-N -1 1 317.142 3.279 20 30 DGEDMM Cc1ccc2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2c1 ZINC000614293587 400872025 /nfs/dbraw/zinc/87/20/25/400872025.db2.gz NVMRRALYJFZHAP-UHFFFAOYSA-N -1 1 309.350 3.434 20 30 DGEDMM COc1ccccc1CN(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614297147 400872209 /nfs/dbraw/zinc/87/22/09/400872209.db2.gz QSQUAEYEIBXCBP-UHFFFAOYSA-N -1 1 322.364 3.077 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000614370893 400888284 /nfs/dbraw/zinc/88/82/84/400888284.db2.gz HIEQGQGYJSCVSB-UHFFFAOYSA-N -1 1 312.291 3.068 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1F ZINC000055578614 400878705 /nfs/dbraw/zinc/87/87/05/400878705.db2.gz KEMVOORSWRRMPD-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CCCN(Cc1ccccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000615453065 401082916 /nfs/dbraw/zinc/08/29/16/401082916.db2.gz LRTQYJCJDKIFLE-UHFFFAOYSA-N -1 1 312.344 3.455 20 30 DGEDMM C=CCc1cccc(C(C)C)c1NC(=O)CCCc1nn[n-]n1 ZINC000635844223 401493637 /nfs/dbraw/zinc/49/36/37/401493637.db2.gz MWNFFVDYEHXDDZ-UHFFFAOYSA-N -1 1 313.405 3.013 20 30 DGEDMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443288001 296762488 /nfs/dbraw/zinc/76/24/88/296762488.db2.gz SSGUHRMDLBNHEI-ADLMAVQZSA-N -1 1 324.355 3.456 20 30 DGEDMM N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1 ZINC000190776966 432188689 /nfs/dbraw/zinc/18/86/89/432188689.db2.gz GZVYPKRFVDRFJZ-LBPRGKRZSA-N -1 1 319.368 3.045 20 30 DGEDMM N#C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000153801876 227091327 /nfs/dbraw/zinc/09/13/27/227091327.db2.gz IZYGWHOUNGBPDP-LLVKDONJSA-N -1 1 322.151 3.089 20 30 DGEDMM N#C[C@@H]1N(Cc2cccc([O-])c2Cl)CCC[C@@]12CCCCO2 ZINC000353260542 229273399 /nfs/dbraw/zinc/27/33/99/229273399.db2.gz XIZDZARHQKQQFK-RDJZCZTQSA-N -1 1 320.820 3.473 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1[O-] ZINC000357469396 270003833 /nfs/dbraw/zinc/00/38/33/270003833.db2.gz HHNRBKNFJGNPEQ-INIZCTEOSA-N -1 1 310.328 3.210 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[O-] ZINC000527024760 268202774 /nfs/dbraw/zinc/20/27/74/268202774.db2.gz KUSDBQVBNHQJJQ-CXAGYDPISA-N -1 1 324.355 3.469 20 30 DGEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)Cc2ccccc21 ZINC000443058126 276128263 /nfs/dbraw/zinc/12/82/63/276128263.db2.gz JLCFWCQVKKKNQZ-UHFFFAOYSA-N -1 1 306.365 3.197 20 30 DGEDMM O=C(CC(F)(F)F)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118245413 431594224 /nfs/dbraw/zinc/59/42/24/431594224.db2.gz GEWHHJAKHTXYBT-VIFPVBQESA-N -1 1 303.177 3.498 20 30 DGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C ZINC000051637887 431952514 /nfs/dbraw/zinc/95/25/14/431952514.db2.gz OYYFGPATGHQIBZ-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000057124074 431990222 /nfs/dbraw/zinc/99/02/22/431990222.db2.gz RVLIJEOAEVQEEJ-UHFFFAOYSA-N -1 1 303.383 3.361 20 30 DGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000217555292 432656260 /nfs/dbraw/zinc/65/62/60/432656260.db2.gz PPCQKJVAUMMBLU-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000226136876 432703066 /nfs/dbraw/zinc/70/30/66/432703066.db2.gz AQODRPQSLJWYOL-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)Cc1ccccc1 ZINC000188427111 432723893 /nfs/dbraw/zinc/72/38/93/432723893.db2.gz XNGVRJXEUPMRCI-UHFFFAOYSA-N -1 1 308.381 3.263 20 30 DGEDMM COC(=O)c1c[n-]c(SCc2ccccc2C(C)(C)C#N)n1 ZINC000187588222 432671043 /nfs/dbraw/zinc/67/10/43/432671043.db2.gz YKYPQOPWLGPCAL-UHFFFAOYSA-N -1 1 315.398 3.290 20 30 DGEDMM CC[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccccc1C ZINC000188616221 432735419 /nfs/dbraw/zinc/73/54/19/432735419.db2.gz IHHRQXNLUCXPOE-MRXNPFEDSA-N -1 1 324.380 3.160 20 30 DGEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)c(F)c1 ZINC000188619892 432736026 /nfs/dbraw/zinc/73/60/26/432736026.db2.gz VUGJLDYMPFLIJT-UHFFFAOYSA-N -1 1 316.307 3.207 20 30 DGEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000234159069 432738839 /nfs/dbraw/zinc/73/88/39/432738839.db2.gz XNZYXGXMMBYPJR-UHFFFAOYSA-N -1 1 300.383 3.230 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)c1 ZINC000235910473 432745491 /nfs/dbraw/zinc/74/54/91/432745491.db2.gz PWIMCIIWYDTIGM-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1C#N ZINC000235898899 432745739 /nfs/dbraw/zinc/74/57/39/432745739.db2.gz LQTRGULUWYOKHM-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1C ZINC000235910587 432746567 /nfs/dbraw/zinc/74/65/67/432746567.db2.gz DPFDUHAYLQTVQF-UHFFFAOYSA-N -1 1 300.383 3.284 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2C2CCCC2)n1 ZINC000330098304 432893475 /nfs/dbraw/zinc/89/34/75/432893475.db2.gz BQPYWFKORGVMHX-GFCCVEGCSA-N -1 1 300.387 3.253 20 30 DGEDMM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000290568419 433101214 /nfs/dbraw/zinc/10/12/14/433101214.db2.gz SYCMDWCFWNDHCU-LBPRGKRZSA-N -1 1 310.419 3.155 20 30 DGEDMM N#Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1[O-] ZINC000355175690 433509794 /nfs/dbraw/zinc/50/97/94/433509794.db2.gz BRKNMSNTPYNDMM-AWEZNQCLSA-N -1 1 310.328 3.033 20 30 DGEDMM CCOc1ccc(C#N)cc1NC(=O)c1cc(CC)ccc1[O-] ZINC000436546221 434007175 /nfs/dbraw/zinc/00/71/75/434007175.db2.gz JKTSUPQXPHKRJE-UHFFFAOYSA-N -1 1 310.353 3.477 20 30 DGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436810841 434115882 /nfs/dbraw/zinc/11/58/82/434115882.db2.gz YZFCKWJYCJSBKE-LLVKDONJSA-N -1 1 300.280 3.079 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nc(C)c(C)o2)c1 ZINC000416938939 434259397 /nfs/dbraw/zinc/25/93/97/434259397.db2.gz MCEXVXISOWTSPV-AWEZNQCLSA-N -1 1 319.386 3.002 20 30 DGEDMM Cc1nc2c(cccc2C([O-])=C(C#N)c2cc(C)nc(C)n2)o1 ZINC000347586471 434269317 /nfs/dbraw/zinc/26/93/17/434269317.db2.gz GSWZROMONXFAEX-CYBMUJFWSA-N -1 1 306.325 3.033 20 30 DGEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000437508412 434274727 /nfs/dbraw/zinc/27/47/27/434274727.db2.gz PBMRKVCPJIVBIS-KDOFPFPSSA-N -1 1 311.381 3.256 20 30 DGEDMM N#CC(=C([O-])c1cnn(C2CC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000529021804 435031846 /nfs/dbraw/zinc/03/18/46/435031846.db2.gz PSGOXKDYVXAUQD-GFCCVEGCSA-N -1 1 320.274 3.122 20 30 DGEDMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000527487289 435012851 /nfs/dbraw/zinc/01/28/51/435012851.db2.gz NNZUYHZZBNNJRW-NSHDSACASA-N -1 1 310.328 3.162 20 30 DGEDMM Cc1nc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1C#N ZINC000644123597 435416432 /nfs/dbraw/zinc/41/64/32/435416432.db2.gz SPPAAHZLRCDBFN-UHFFFAOYSA-N -1 1 321.380 3.067 20 30 DGEDMM Cc1nc(SCCCOc2cccc(C#N)c2)[n-]c(=O)c1C ZINC000540716131 435614602 /nfs/dbraw/zinc/61/46/02/435614602.db2.gz YHOYEIQRKZDLAJ-UHFFFAOYSA-N -1 1 315.398 3.232 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2cnc(N(C)C)c(Cl)c2)n1 ZINC000654968876 436478455 /nfs/dbraw/zinc/47/84/55/436478455.db2.gz QIDOPWLMQLEVIG-JTQLQIEISA-N -1 1 320.805 3.056 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1F ZINC000180020320 323220511 /nfs/dbraw/zinc/22/05/11/323220511.db2.gz UZMGMVSSEMCJGW-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H](F)C(F)(F)F ZINC000291422036 334178496 /nfs/dbraw/zinc/17/84/96/334178496.db2.gz YYMQLYIZDJSZMV-MRVPVSSYSA-N -1 1 319.176 3.154 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3=O)n1 ZINC000551790839 341351872 /nfs/dbraw/zinc/35/18/72/341351872.db2.gz YRQVWNDACGAGDS-AWEZNQCLSA-N -1 1 310.378 3.461 20 30 DGEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000437504866 526782143 /nfs/dbraw/zinc/78/21/43/526782143.db2.gz VUULBWQOVVLXHT-QAPCUYQASA-N -1 1 311.381 3.256 20 30 DGEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cncc([O-])c2)cc1 ZINC000339936023 526791457 /nfs/dbraw/zinc/79/14/57/526791457.db2.gz FJTAFUMXOYJDNG-INIZCTEOSA-N -1 1 309.369 3.079 20 30 DGEDMM C=CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444370718 527077760 /nfs/dbraw/zinc/07/77/60/527077760.db2.gz YKSLJCGWAAUKQK-UHFFFAOYSA-N -1 1 316.401 3.359 20 30 DGEDMM CC(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000340969805 527352662 /nfs/dbraw/zinc/35/26/62/527352662.db2.gz NQKDIIDTOHEUFR-AWEZNQCLSA-N -1 1 303.321 3.256 20 30 DGEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000428052498 527455265 /nfs/dbraw/zinc/45/52/65/527455265.db2.gz YYYQNUBKGTYNKL-LLVKDONJSA-N -1 1 310.191 3.335 20 30 DGEDMM CC(C)(C#N)CCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000178817088 527465644 /nfs/dbraw/zinc/46/56/44/527465644.db2.gz QQPLOMKMOHJCSU-UHFFFAOYSA-N -1 1 321.446 3.486 20 30 DGEDMM CC(C)(C#N)CCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000178817088 527465652 /nfs/dbraw/zinc/46/56/52/527465652.db2.gz QQPLOMKMOHJCSU-UHFFFAOYSA-N -1 1 321.446 3.486 20 30 DGEDMM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442955052 528160990 /nfs/dbraw/zinc/16/09/90/528160990.db2.gz VLXUBGPUKBUDDT-QGZVFWFLSA-N -1 1 308.381 3.405 20 30 DGEDMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000318702830 528675582 /nfs/dbraw/zinc/67/55/82/528675582.db2.gz QPTZWBUVAAYEIM-UHFFFAOYSA-N -1 1 316.382 3.066 20 30 DGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1occ2c1CCC2 ZINC000671745381 547823607 /nfs/dbraw/zinc/82/36/07/547823607.db2.gz SPXZOEWAYTUREF-CYBMUJFWSA-N -1 1 305.337 3.145 20 30 DGEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c(F)c1 ZINC000681020669 549147587 /nfs/dbraw/zinc/14/75/87/549147587.db2.gz BKKNTFIBGOYPMO-UHFFFAOYSA-N -1 1 303.308 3.499 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(C(F)(F)F)ccc2F)n1 ZINC000733200523 574607296 /nfs/dbraw/zinc/60/72/96/574607296.db2.gz GETYVASJQXHRKL-UHFFFAOYSA-N -1 1 314.242 3.095 20 30 DGEDMM CCOc1ccc(Cl)cc1C(C)=NNc1nc(C)cc(=O)[n-]1 ZINC000735970045 574724007 /nfs/dbraw/zinc/72/40/07/574724007.db2.gz SWFGDRSWHRPUQO-UHFFFAOYSA-N -1 1 320.780 3.379 20 30 DGEDMM CC(C)Oc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493285 574755457 /nfs/dbraw/zinc/75/54/57/574755457.db2.gz SAKUDSVUGPLMJP-SFHVURJKSA-N -1 1 324.380 3.261 20 30 DGEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000736662858 574802134 /nfs/dbraw/zinc/80/21/34/574802134.db2.gz SWHTWJNCYUJIIG-HWPZZCPQSA-N -1 1 316.307 3.313 20 30 DGEDMM CCN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@H](C)C#N ZINC000737101823 574823752 /nfs/dbraw/zinc/82/37/52/574823752.db2.gz JNMYWIGTABDKOR-GFCCVEGCSA-N -1 1 312.369 3.225 20 30 DGEDMM CCOc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737212742 574827309 /nfs/dbraw/zinc/82/73/09/574827309.db2.gz KELQQZZXHJPJTK-SCLBCKFNSA-N -1 1 324.380 3.433 20 30 DGEDMM O=C([O-])N1CCC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC000739924860 574916175 /nfs/dbraw/zinc/91/61/75/574916175.db2.gz PNAPQWAOJSYFPO-WTSVEOLSSA-N -1 1 317.172 3.260 20 30 DGEDMM Cc1ccc2nc(CN=Cc3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC000745977275 575425986 /nfs/dbraw/zinc/42/59/86/575425986.db2.gz UMECSKXNDBPEAO-CAOOACKPSA-N -1 1 310.313 3.104 20 30 DGEDMM COc1ccc([C@H](C)C(C)N=Nc2nc(C)cc(=O)[n-]2)cc1 ZINC000747624675 575528013 /nfs/dbraw/zinc/52/80/13/575528013.db2.gz QRJBPLPJUIBUMF-LLVKDONJSA-N -1 1 300.362 3.091 20 30 DGEDMM CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749605743 575668199 /nfs/dbraw/zinc/66/81/99/575668199.db2.gz ZAUMZUFJOPMYMA-UHFFFAOYSA-N -1 1 311.301 3.013 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\C=C/c1ccccc1[N+](=O)[O-] ZINC000750904248 575759815 /nfs/dbraw/zinc/75/98/15/575759815.db2.gz HESYIXNFSCVXRQ-DKYSMAEJSA-N -1 1 309.277 3.473 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1sc(C(C)C)nc1C ZINC000751127239 575771658 /nfs/dbraw/zinc/77/16/58/575771658.db2.gz JUCKLGCITROZRW-UHFFFAOYSA-N -1 1 305.407 3.215 20 30 DGEDMM COc1cc(C)c(/C=C2/Oc3cc([O-])ccc3C2=O)cc1OC ZINC000751515044 575787915 /nfs/dbraw/zinc/78/79/15/575787915.db2.gz RTHUSYQRBCMJPB-CAOOACKPSA-N -1 1 312.321 3.334 20 30 DGEDMM COc1ccc(C)cc1[C@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737976692 575906443 /nfs/dbraw/zinc/90/64/43/575906443.db2.gz YOTUNRFQARYTLR-UGSOOPFHSA-N -1 1 324.380 3.352 20 30 DGEDMM O=C([O-])c1ccc(C=NNc2nccnc2C2CCC2)cc1F ZINC000853346230 620688383 /nfs/dbraw/zinc/68/83/83/620688383.db2.gz UFBOGAPXAAQPFI-UHFFFAOYSA-N -1 1 314.320 3.027 20 30 DGEDMM CC(=NO[C@H]1CCCCO1)c1ccc([O-])c(Br)c1 ZINC000844589466 617716817 /nfs/dbraw/zinc/71/68/17/617716817.db2.gz MOHLJZNWNJVWEN-ZDUSSCGKSA-N -1 1 314.179 3.422 20 30 DGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000788845964 625280511 /nfs/dbraw/zinc/28/05/11/625280511.db2.gz LOSLHTYYNQGOTB-ALCCZGGFSA-N -1 1 319.773 3.019 20 30 DGEDMM [O-]c1c(Br)cc(O)cc1C=NOCCC1CC1 ZINC000814245404 618729217 /nfs/dbraw/zinc/72/92/17/618729217.db2.gz RGPATVNBZBNEES-UHFFFAOYSA-N -1 1 300.152 3.011 20 30 DGEDMM C[C@H]1CCC[C@](C#N)([N-]C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC000900736001 619448345 /nfs/dbraw/zinc/44/83/45/619448345.db2.gz HUAATIFBOFIQSL-LRDDRELGSA-N -1 1 317.339 3.239 20 30 DGEDMM Cc1ccccc1CO[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372354 619490995 /nfs/dbraw/zinc/49/09/95/619490995.db2.gz CNHGYQWKEAVYFC-CQSZACIVSA-N -1 1 317.360 3.457 20 30 DGEDMM CCCCCCCC[C@H](C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745396 620476392 /nfs/dbraw/zinc/47/63/92/620476392.db2.gz CEVKCNPXGAKDJM-AWEZNQCLSA-N -1 1 321.469 3.292 20 30 DGEDMM C=CCn1c(C)nnc1SC[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000915815610 620599029 /nfs/dbraw/zinc/59/90/29/620599029.db2.gz DLMOJJXLSCAITN-NSHDSACASA-N -1 1 317.414 3.089 20 30 DGEDMM [O-]c1c(Br)cccc1C=NNCc1ccccc1 ZINC000915950579 620608094 /nfs/dbraw/zinc/60/80/94/620608094.db2.gz AILGZKWPQPRSES-UHFFFAOYSA-N -1 1 305.175 3.278 20 30 DGEDMM COc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)c2ccccc12 ZINC000916540071 620633767 /nfs/dbraw/zinc/63/37/67/620633767.db2.gz MCTYJZUJPKZPFR-UHFFFAOYSA-N -1 1 322.368 3.489 20 30 DGEDMM C=CC[C@@H]1CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000855438325 620903886 /nfs/dbraw/zinc/90/38/86/620903886.db2.gz FPLSRMSZMAMKIM-CYBMUJFWSA-N -1 1 303.406 3.042 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cc(OC)cc(OC)c2)c1 ZINC000103249305 621305703 /nfs/dbraw/zinc/30/57/03/621305703.db2.gz GUNJFYJQOLVLTF-GQCTYLIASA-N -1 1 314.337 3.314 20 30 DGEDMM Cc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000753690653 621460329 /nfs/dbraw/zinc/46/03/29/621460329.db2.gz FXJPKJJSLYOJPR-UHFFFAOYSA-N -1 1 321.178 3.008 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000755454643 621573898 /nfs/dbraw/zinc/57/38/98/621573898.db2.gz HRXDHQQZVICLCB-UHFFFAOYSA-N -1 1 314.242 3.095 20 30 DGEDMM COc1ccc(CNN=C(C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757460922 621713478 /nfs/dbraw/zinc/71/34/78/621713478.db2.gz IFWGJYPGMLXEAG-UHFFFAOYSA-N -1 1 306.312 3.193 20 30 DGEDMM CC(=NNCCCOc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757465798 621713790 /nfs/dbraw/zinc/71/37/90/621713790.db2.gz WZXZMAKNYJVGOE-UHFFFAOYSA-N -1 1 320.339 3.453 20 30 DGEDMM [O-]c1ccc(C=NNC(=S)Nc2ccccc2)cc1Cl ZINC000864048459 621731802 /nfs/dbraw/zinc/73/18/02/621731802.db2.gz AQQHECQYHKUJFZ-UHFFFAOYSA-N -1 1 305.790 3.366 20 30 DGEDMM CC(N=Nc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758111295 621758264 /nfs/dbraw/zinc/75/82/64/621758264.db2.gz VWWVYCGJZSBXRN-UHFFFAOYSA-N -1 1 307.256 3.415 20 30 DGEDMM CCCC[C@H](CC)CC=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000760249756 621924518 /nfs/dbraw/zinc/92/45/18/621924518.db2.gz RZLVYMBEJNEDBW-NSHDSACASA-N -1 1 304.398 3.073 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cccc(-n2cccn2)c1 ZINC000760265020 621925960 /nfs/dbraw/zinc/92/59/60/621925960.db2.gz UEBGHQUVBXIGJL-LICLKQGHSA-N -1 1 304.305 3.194 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc(-n3cccn3)c2)c1 ZINC000760264117 621926101 /nfs/dbraw/zinc/92/61/01/621926101.db2.gz JTPOGTGCDMSHQK-VURMDHGXSA-N -1 1 320.348 3.483 20 30 DGEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)c(OC)c1 ZINC000120629338 621950587 /nfs/dbraw/zinc/95/05/87/621950587.db2.gz PINBOCXDRPCONM-XVNBXDOJSA-N -1 1 302.301 3.445 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(C(F)(F)F)s2)n1 ZINC000761724531 622026352 /nfs/dbraw/zinc/02/63/52/622026352.db2.gz YTKNQRXYUCXIGS-UHFFFAOYSA-N -1 1 302.281 3.017 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)c(Cl)c2Cl)n1 ZINC000761724184 622026730 /nfs/dbraw/zinc/02/67/30/622026730.db2.gz QMYTZKRZYJSTSX-UHFFFAOYSA-N -1 1 315.135 3.383 20 30 DGEDMM Cc1cc(C)c2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CCCO2 ZINC000763106531 622123611 /nfs/dbraw/zinc/12/36/11/622123611.db2.gz VXJFVEUGEUTISA-UHFFFAOYSA-N -1 1 312.373 3.096 20 30 DGEDMM CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(O)c(F)c1 ZINC000764639507 622209542 /nfs/dbraw/zinc/20/95/42/622209542.db2.gz HQCHJSUVQHLWIU-UHFFFAOYSA-N -1 1 302.305 3.456 20 30 DGEDMM N#Cc1ccncc1NCc1cccc(Br)c1[O-] ZINC000764935573 622234025 /nfs/dbraw/zinc/23/40/25/622234025.db2.gz XUFJZXFQONPYDJ-UHFFFAOYSA-N -1 1 304.147 3.033 20 30 DGEDMM C=C(C)C[C@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000767705535 622417717 /nfs/dbraw/zinc/41/77/17/622417717.db2.gz PWMBSMMFBLIIBT-NSHDSACASA-N -1 1 302.326 3.144 20 30 DGEDMM O=C([O-])c1ccccc1NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767762627 622420647 /nfs/dbraw/zinc/42/06/47/622420647.db2.gz JZZBKRFDWAGVLN-UHFFFAOYSA-N -1 1 306.325 3.221 20 30 DGEDMM CCn1nc(/C=C\C(=O)c2cc(O)ccc2[O-])c2ccccc21 ZINC000769746104 622556076 /nfs/dbraw/zinc/55/60/76/622556076.db2.gz DCJQLHOOGMIGBO-NTMALXAHSA-N -1 1 308.337 3.364 20 30 DGEDMM C=CC[C@@H](C)C(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769808999 622562672 /nfs/dbraw/zinc/56/26/72/622562672.db2.gz QZNDDUKCXZXURJ-SNVBAGLBSA-N -1 1 316.409 3.287 20 30 DGEDMM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccccc1 ZINC000769807877 622562922 /nfs/dbraw/zinc/56/29/22/622562922.db2.gz WKDHSFYMPKDHFB-UHFFFAOYSA-N -1 1 324.388 3.123 20 30 DGEDMM C[C@H]1CCCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769810399 622563287 /nfs/dbraw/zinc/56/32/87/622563287.db2.gz QEOXQCRBXNDKNG-JTQLQIEISA-N -1 1 316.409 3.265 20 30 DGEDMM C=CCCC(CC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769812385 622563592 /nfs/dbraw/zinc/56/35/92/622563592.db2.gz NQGZBMRFOKOPFL-UHFFFAOYSA-N -1 1 316.409 3.431 20 30 DGEDMM CCC(CC1CCCCC1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000872352028 622894027 /nfs/dbraw/zinc/89/40/27/622894027.db2.gz AOWHEWBOCUNABM-UHFFFAOYSA-N -1 1 316.409 3.217 20 30 DGEDMM COc1c([O-])c(C=NNc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000772989351 622962038 /nfs/dbraw/zinc/96/20/38/622962038.db2.gz GBELDHPXQFWKEX-UHFFFAOYSA-N -1 1 301.302 3.063 20 30 DGEDMM COc1c([O-])c(C=NNc2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000773027231 622969777 /nfs/dbraw/zinc/96/97/77/622969777.db2.gz XHQWKYTZUFCLPQ-UHFFFAOYSA-N -1 1 315.329 3.372 20 30 DGEDMM COc1c([O-])c(C=NNc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000773068732 622976515 /nfs/dbraw/zinc/97/65/15/622976515.db2.gz OXCYAPDLWBMNOX-UHFFFAOYSA-N -1 1 319.292 3.203 20 30 DGEDMM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)ccc1C ZINC000773142928 622991307 /nfs/dbraw/zinc/99/13/07/622991307.db2.gz IXAFIMWZOSEBCF-ALCCZGGFSA-N -1 1 312.321 3.304 20 30 DGEDMM O=C1c2ccccc2CCN1N=Cc1c([O-])ccc(Cl)c1F ZINC000790170629 625611853 /nfs/dbraw/zinc/61/18/53/625611853.db2.gz PWZDFIQISSALDP-UHFFFAOYSA-N -1 1 318.735 3.217 20 30 DGEDMM CCC(CC)CNN=Cc1cc(O)c([O-])c(Br)c1 ZINC000774458867 623148242 /nfs/dbraw/zinc/14/82/42/623148242.db2.gz ADQJTYSCQPYHEL-UHFFFAOYSA-N -1 1 315.211 3.220 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(OC)cccc2OC)c1 ZINC000776189768 623393854 /nfs/dbraw/zinc/39/38/54/623393854.db2.gz KNRJOISIZMPNHC-NTMALXAHSA-N -1 1 314.337 3.314 20 30 DGEDMM O=C(/C=C\c1nc2c(s1)CCCC2)c1cc(O)ccc1[O-] ZINC000776264769 623403371 /nfs/dbraw/zinc/40/33/71/623403371.db2.gz IFXCIJAVIMKDFJ-FPLPWBNLSA-N -1 1 301.367 3.329 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cccc(Br)n1 ZINC000777916353 623584447 /nfs/dbraw/zinc/58/44/47/623584447.db2.gz YAVNEEFATQTTQT-SDQBBNPISA-N -1 1 318.126 3.166 20 30 DGEDMM [O-]c1ccc(C=NNc2ccnc(F)c2)cc1Br ZINC000781129741 624026874 /nfs/dbraw/zinc/02/68/74/624026874.db2.gz JMGWJMGVZUSCCU-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(C(F)(F)F)cc2C)n1 ZINC000785450889 624668320 /nfs/dbraw/zinc/66/83/20/624668320.db2.gz KJUAVYVEVKIYKE-UHFFFAOYSA-N -1 1 310.279 3.264 20 30 DGEDMM C=CCCS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC000882817898 625826275 /nfs/dbraw/zinc/82/62/75/625826275.db2.gz SMBWZTZRBOQMOP-NSHDSACASA-N -1 1 309.765 3.142 20 30 DGEDMM CC(C)c1c(Cl)ncnc1NN=Cc1ccccc1C(=O)[O-] ZINC000797404986 626140270 /nfs/dbraw/zinc/14/02/70/626140270.db2.gz WTETUEGHHLVTMG-UHFFFAOYSA-N -1 1 318.764 3.398 20 30 DGEDMM CC(C)(CO)CNN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000799116133 626273675 /nfs/dbraw/zinc/27/36/75/626273675.db2.gz CYXPJDBSPCYFME-UHFFFAOYSA-N -1 1 306.793 3.141 20 30 DGEDMM C[C@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C(C)(C)C ZINC000800813117 626376112 /nfs/dbraw/zinc/37/61/12/626376112.db2.gz QKFTYFJWRSDWBB-SNVBAGLBSA-N -1 1 318.425 3.367 20 30 DGEDMM C#C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000812752595 627416805 /nfs/dbraw/zinc/41/68/05/627416805.db2.gz JMPZLIQRMRSAEN-ZDUSSCGKSA-N -1 1 303.720 3.289 20 30 DGEDMM [O-]c1cccc(C=NN2C(=S)N=NC2c2ccco2)c1Cl ZINC000814738794 627588166 /nfs/dbraw/zinc/58/81/66/627588166.db2.gz NLNBGSBSXYFULJ-UHFFFAOYSA-N -1 1 320.761 3.068 20 30 DGEDMM O=C([O-])COc1cccc(CN=Nc2ccc(F)c(F)c2F)c1 ZINC000814945167 627612197 /nfs/dbraw/zinc/61/21/97/627612197.db2.gz OJKOQEPFNHPLLD-UHFFFAOYSA-N -1 1 324.258 3.013 20 30 DGEDMM C=CCOc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819759007 628186615 /nfs/dbraw/zinc/18/66/15/628186615.db2.gz KSPOIROALQMIKQ-UHFFFAOYSA-N -1 1 312.304 3.363 20 30 DGEDMM C=CCOc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819759007 628186617 /nfs/dbraw/zinc/18/66/17/628186617.db2.gz KSPOIROALQMIKQ-UHFFFAOYSA-N -1 1 312.304 3.363 20 30 DGEDMM Cc1c(Cl)cccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822034589 628417118 /nfs/dbraw/zinc/41/71/18/628417118.db2.gz ICAYOIAUWAJOOV-UHFFFAOYSA-N -1 1 318.793 3.336 20 30 DGEDMM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822204386 628429009 /nfs/dbraw/zinc/42/90/09/628429009.db2.gz NHWJXWDETFIPOD-ZZXKWVIFSA-N -1 1 314.345 3.272 20 30 DGEDMM Fc1cc(NN=Cc2ccc(-c3nn[n-]n3)s2)ccc1Cl ZINC000822753993 628489812 /nfs/dbraw/zinc/48/98/12/628489812.db2.gz VODWAALEAZMJCT-UHFFFAOYSA-N -1 1 322.756 3.167 20 30 DGEDMM CC(N=Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823953812 628612981 /nfs/dbraw/zinc/61/29/81/628612981.db2.gz RCGCNSRXCLQHOG-UHFFFAOYSA-N -1 1 320.328 3.043 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826286156 628839891 /nfs/dbraw/zinc/83/98/91/628839891.db2.gz TWZCTZUSAQMPQY-PLNGDYQASA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826286156 628839893 /nfs/dbraw/zinc/83/98/93/628839893.db2.gz TWZCTZUSAQMPQY-PLNGDYQASA-N -1 1 314.345 3.272 20 30 DGEDMM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400203 628851531 /nfs/dbraw/zinc/85/15/31/628851531.db2.gz RXNTUOOUAXIHIJ-SNAWJCMRSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400203 628851532 /nfs/dbraw/zinc/85/15/32/628851532.db2.gz RXNTUOOUAXIHIJ-SNAWJCMRSA-N -1 1 318.308 3.103 20 30 DGEDMM CCC(=NNc1ccc(C(=O)[O-])c(F)c1)c1c(C)nn(C)c1C ZINC000835009946 629821877 /nfs/dbraw/zinc/82/18/77/629821877.db2.gz IZJSLCNWGWBTKT-UHFFFAOYSA-N -1 1 318.352 3.100 20 30 DGEDMM CC(=NOCC(F)(F)F)c1ccc([O-])c(Br)c1 ZINC000844587049 630741569 /nfs/dbraw/zinc/74/15/69/630741569.db2.gz WUSAJMOGMKSZBW-UHFFFAOYSA-N -1 1 312.085 3.458 20 30 DGEDMM Cc1ocnc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000105757550 631057510 /nfs/dbraw/zinc/05/75/10/631057510.db2.gz CKOZVXCZOGVEPM-AWEZNQCLSA-N -1 1 319.320 3.097 20 30 DGEDMM CC[C@@H](C#N)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000846128554 631211224 /nfs/dbraw/zinc/21/12/24/631211224.db2.gz HQMHTZKGWPTMEV-LURJTMIESA-N -1 1 317.570 3.296 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(C3CCC3)cnn2C)c1 ZINC000849247515 631864712 /nfs/dbraw/zinc/86/47/12/631864712.db2.gz UNTXFQITFCJBKZ-CLFYSBASSA-N -1 1 312.369 3.298 20 30 DGEDMM C=CC(C)(C)CCOC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000851298909 632367402 /nfs/dbraw/zinc/36/74/02/632367402.db2.gz RGUDJSFSPAPGPR-UHFFFAOYSA-N -1 1 324.446 3.291 20 30 DGEDMM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000851874623 632512649 /nfs/dbraw/zinc/51/26/49/632512649.db2.gz IGMPDGFOZRMDJC-UHFFFAOYSA-N -1 1 322.224 3.065 20 30 DGEDMM COCCOc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1 ZINC000187221730 660970221 /nfs/dbraw/zinc/97/02/21/660970221.db2.gz LRHZRLGGSZXANZ-GDNBJRDFSA-N -1 1 310.349 3.240 20 30 DGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(F)cc1 ZINC000792929791 660994743 /nfs/dbraw/zinc/99/47/43/660994743.db2.gz RMICPUIQAZHKOO-OAHLLOKOSA-N -1 1 318.298 3.385 20 30 DGEDMM CC[C@H](C)CON=Cc1cc(O)c([O-])c(Br)c1 ZINC000793146687 661007618 /nfs/dbraw/zinc/00/76/18/661007618.db2.gz UKDXPKGSVUTQGT-QMMMGPOBSA-N -1 1 302.168 3.257 20 30 DGEDMM CC(C)C[C@@H]1CCCC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000794512546 661088443 /nfs/dbraw/zinc/08/84/43/661088443.db2.gz XYVMCOKATVRCEJ-NSHDSACASA-N -1 1 316.409 3.073 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccccc1-n1ccnn1 ZINC000794741966 661103339 /nfs/dbraw/zinc/10/33/39/661103339.db2.gz YMOZPRLVTTZFRA-FNORWQNLSA-N -1 1 309.300 3.008 20 30 DGEDMM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC000794926372 661113897 /nfs/dbraw/zinc/11/38/97/661113897.db2.gz LAPSVKIFVCIMDH-FNORWQNLSA-N -1 1 305.236 3.475 20 30 DGEDMM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc(O)cc1O ZINC000794940967 661115339 /nfs/dbraw/zinc/11/53/39/661115339.db2.gz HASQQCUZOIVDNL-ZZXKWVIFSA-N -1 1 312.321 3.309 20 30 DGEDMM [O-]c1c(Br)cccc1CN=Nc1ncccc1F ZINC000794990354 661119684 /nfs/dbraw/zinc/11/96/84/661119684.db2.gz MAUPJSMBXBFGNJ-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM Cn1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c(-c2ccccc2)n1 ZINC000255628158 655879271 /nfs/dbraw/zinc/87/92/71/655879271.db2.gz IZVBPRDEZUQXSC-CLFYSBASSA-N -1 1 320.348 3.394 20 30 DGEDMM C=CCc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)cc(OC)c1O ZINC000255676920 655889119 /nfs/dbraw/zinc/88/91/19/655889119.db2.gz UMLQDVQMZAZDOQ-RQZCQDPDSA-N -1 1 324.332 3.451 20 30 DGEDMM C[C@@H](C#N)Oc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000299736724 656222226 /nfs/dbraw/zinc/22/22/26/656222226.db2.gz CGGBVQMCUHXBIF-LDJOOVGUSA-N -1 1 309.321 3.285 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3cc(C)c(C)cc3o2)c(=O)o1 ZINC000178548608 656789582 /nfs/dbraw/zinc/78/95/82/656789582.db2.gz INZWXKQBGHLSJI-WRFKIARRSA-N -1 1 324.332 3.278 20 30 DGEDMM COCCOc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1 ZINC000171686499 659295324 /nfs/dbraw/zinc/29/53/24/659295324.db2.gz CABNSNGQYVHXFE-LICLKQGHSA-N -1 1 312.321 3.034 20 30 DGEDMM CCOc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1OC ZINC000156655277 661863958 /nfs/dbraw/zinc/86/39/58/661863958.db2.gz FBDMTZMQFOQUTR-QPJJXVBHSA-N -1 1 314.337 3.401 20 30 DGEDMM C[C@H](CCc1ccc(F)cc1)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001587208885 1192380005 /nfs/dbraw/zinc/38/00/05/1192380005.db2.gz ROTGSAFYFQPAIV-CYBMUJFWSA-N -1 1 312.344 3.376 20 30 DGEDMM CCSc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000588489111 1176495495 /nfs/dbraw/zinc/49/54/95/1176495495.db2.gz CVPRUPAFFMSURJ-XITLMJRVSA-N -1 1 316.378 3.027 20 30 DGEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000395262819 1176787322 /nfs/dbraw/zinc/78/73/22/1176787322.db2.gz JXGSPHXYJDQPCJ-SNVBAGLBSA-N -1 1 312.243 3.135 20 30 DGEDMM N#Cc1ccc(NC(=S)Nc2cc(Cl)ncc2[O-])cc1 ZINC001245887346 1178077969 /nfs/dbraw/zinc/07/79/69/1178077969.db2.gz REKDBYFHENSUHT-UHFFFAOYSA-N -1 1 304.762 3.121 20 30 DGEDMM N#CCc1cccc2c1CCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001601077631 1192916357 /nfs/dbraw/zinc/91/63/57/1192916357.db2.gz HHNPGFGKNKWTEV-UHFFFAOYSA-N -1 1 324.355 3.148 20 30 DGEDMM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001601123215 1192920194 /nfs/dbraw/zinc/92/01/94/1192920194.db2.gz PZENQSAMSYWRIN-OAHLLOKOSA-N -1 1 300.745 3.127 20 30 DGEDMM C#C[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001602681538 1192994425 /nfs/dbraw/zinc/99/44/25/1192994425.db2.gz NJTQBZQURROLBF-YGRLFVJLSA-N -1 1 312.196 3.464 20 30 DGEDMM C#CC1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001602681258 1192994589 /nfs/dbraw/zinc/99/45/89/1192994589.db2.gz GSKWFAYPTBWJGF-AWEZNQCLSA-N -1 1 312.196 3.464 20 30 DGEDMM C=C(CNc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC001602768136 1192997077 /nfs/dbraw/zinc/99/70/77/1192997077.db2.gz SGCOIMOEQSGGSD-UHFFFAOYSA-N -1 1 318.793 3.102 20 30 DGEDMM C=C(CNc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC001602768136 1192997080 /nfs/dbraw/zinc/99/70/80/1192997080.db2.gz SGCOIMOEQSGGSD-UHFFFAOYSA-N -1 1 318.793 3.102 20 30 DGEDMM C=CCN(Cc1oc(Br)cc1C(=O)[O-])C(C)C ZINC001602894712 1193002018 /nfs/dbraw/zinc/00/20/18/1193002018.db2.gz VABZUIATXWFQBL-UHFFFAOYSA-N -1 1 302.168 3.137 20 30 DGEDMM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)s1 ZINC001603826776 1193033424 /nfs/dbraw/zinc/03/34/24/1193033424.db2.gz MMFAEPBBWLQZFT-ITTMYVLYSA-N -1 1 308.366 3.312 20 30 DGEDMM C=CCN(CCc1ccco1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001446876017 1182178698 /nfs/dbraw/zinc/17/86/98/1182178698.db2.gz GBEZSDZCFLZBKW-UHFFFAOYSA-N -1 1 319.788 3.438 20 30 DGEDMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC001452004353 1182278919 /nfs/dbraw/zinc/27/89/19/1182278919.db2.gz RZSCWLDDMJIKQO-CYBMUJFWSA-N -1 1 322.364 3.218 20 30 DGEDMM Cc1cc(F)c(-c2nnn[n-]2)c(Oc2ccc(C#N)cc2F)c1 ZINC001605673551 1193164763 /nfs/dbraw/zinc/16/47/63/1193164763.db2.gz PTYBWOJWECWOMW-UHFFFAOYSA-N -1 1 313.267 3.117 20 30 DGEDMM Cc1cc(F)c(-c2nn[n-]n2)c(Oc2ccc(C#N)cc2F)c1 ZINC001605673551 1193164771 /nfs/dbraw/zinc/16/47/71/1193164771.db2.gz PTYBWOJWECWOMW-UHFFFAOYSA-N -1 1 313.267 3.117 20 30 DGEDMM N#Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(F)c1 ZINC001464081389 1183070175 /nfs/dbraw/zinc/07/01/75/1183070175.db2.gz ZOYNRIODJDTLLK-UHFFFAOYSA-N -1 1 322.299 3.045 20 30 DGEDMM C=CCC(C)(C)CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001467096478 1183240285 /nfs/dbraw/zinc/24/02/85/1183240285.db2.gz CPSJHCRJVADLJQ-UHFFFAOYSA-N -1 1 314.389 3.302 20 30 DGEDMM COc1ccc(C#N)cc1CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001607201886 1193217657 /nfs/dbraw/zinc/21/76/57/1193217657.db2.gz SHVMFDWZZYPPAX-GOSISDBHSA-N -1 1 324.380 3.099 20 30 DGEDMM N#Cc1c[nH]c2cc(C(=O)Nc3nc(Cl)ccc3[O-])ccc12 ZINC001472546139 1183651779 /nfs/dbraw/zinc/65/17/79/1183651779.db2.gz LBUSDLPQDWZFQL-UHFFFAOYSA-N -1 1 312.716 3.046 20 30 DGEDMM C=CCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609054007 1193322552 /nfs/dbraw/zinc/32/25/52/1193322552.db2.gz WMDXYGLBUHPPCT-UHFFFAOYSA-N -1 1 317.393 3.025 20 30 DGEDMM C=CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609054007 1193322553 /nfs/dbraw/zinc/32/25/53/1193322553.db2.gz WMDXYGLBUHPPCT-UHFFFAOYSA-N -1 1 317.393 3.025 20 30 DGEDMM CC(C)c1nc(C(C)N=Nc2cccc(C(=O)[O-])c2F)co1 ZINC001609556889 1193344393 /nfs/dbraw/zinc/34/43/93/1193344393.db2.gz QRRWZFILSHLTFY-UHFFFAOYSA-N -1 1 305.309 3.471 20 30 DGEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)[C@H]1CCc2ccccc21 ZINC001610122618 1193377738 /nfs/dbraw/zinc/37/77/38/1193377738.db2.gz ABCIPMPTOAFFOA-SFHVURJKSA-N -1 1 306.365 3.376 20 30 DGEDMM C=CC[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC001535591440 1187968966 /nfs/dbraw/zinc/96/89/66/1187968966.db2.gz GDYUBYHOEKCYPO-AWEZNQCLSA-N -1 1 323.396 3.359 20 30 DGEDMM COc1cc(OC(=O)c2cccc(Cl)c2[O-])ccc1C#N ZINC001543446773 1188334568 /nfs/dbraw/zinc/33/45/68/1188334568.db2.gz WJGLGQCQAQXWIJ-UHFFFAOYSA-N -1 1 303.701 3.145 20 30 DGEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(F)c([O-])c1 ZINC001543530464 1188338920 /nfs/dbraw/zinc/33/89/20/1188338920.db2.gz XERCOQBFJPXLDU-UHFFFAOYSA-N -1 1 303.308 3.499 20 30 DGEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2ncccc2[O-])CC1 ZINC001556296680 1188994545 /nfs/dbraw/zinc/99/45/45/1188994545.db2.gz HFKRDSZLWMGSDH-UHFFFAOYSA-N -1 1 301.390 3.016 20 30 DGEDMM Cc1cc(C#N)cc(C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001559044372 1189165245 /nfs/dbraw/zinc/16/52/45/1189165245.db2.gz JJXVDULZMYRDIP-UHFFFAOYSA-N -1 1 314.772 3.464 20 30 DGEDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001628816802 1194198312 /nfs/dbraw/zinc/19/83/12/1194198312.db2.gz PKQLWIOBYVUPNV-UHFFFAOYSA-N -1 1 317.348 3.076 20 30 DGEDMM C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(C#N)cc1 ZINC001629705409 1194248514 /nfs/dbraw/zinc/24/85/14/1194248514.db2.gz HHJCTJUMHFEGQI-NSHDSACASA-N -1 1 314.772 3.337 20 30 DGEDMM N#Cc1cccc(CC(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001636515780 1194618202 /nfs/dbraw/zinc/61/82/02/1194618202.db2.gz FWZNVWHONDPTME-UHFFFAOYSA-N -1 1 304.708 3.238 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCCC1 ZINC001644485365 1195112928 /nfs/dbraw/zinc/11/29/28/1195112928.db2.gz UTIKVUFSIXAYDW-LBPRGKRZSA-N -1 1 312.291 3.223 20 30 DGEDMM Cc1c(C#N)cccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001648606293 1195313220 /nfs/dbraw/zinc/31/32/20/1195313220.db2.gz MLOBYPYAOUSTPU-UHFFFAOYSA-N -1 1 300.745 3.156 20 30 DGEDMM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC001651016038 1195404660 /nfs/dbraw/zinc/40/46/60/1195404660.db2.gz ZOEOUADBTRWWRE-IBGZPJMESA-N -1 1 306.365 3.415 20 30 DGEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001663084914 1196790374 /nfs/dbraw/zinc/79/03/74/1196790374.db2.gz RGJKSLFOKHDFMR-BXUZGUMPSA-N -1 1 315.385 3.378 20 30 DGEDMM N#Cc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594620508 956276007 /nfs/dbraw/zinc/27/60/07/956276007.db2.gz ISUUYEDSYOIRDA-RDJZCZTQSA-N -1 1 310.328 3.100 20 30 DGEDMM C#CCN(Cc1cccc(C(=O)[O-])n1)[C@H]1CCCc2ccccc21 ZINC001573311236 962697313 /nfs/dbraw/zinc/69/73/13/962697313.db2.gz KITAACNNRJOCID-IBGZPJMESA-N -1 1 320.392 3.293 20 30 DGEDMM C=CCN(Cc1cccc(C#N)c1)Cc1cccc(C(=O)[O-])c1 ZINC001573328852 962810395 /nfs/dbraw/zinc/81/03/95/962810395.db2.gz PSLKCVLAVQIAEX-UHFFFAOYSA-N -1 1 306.365 3.445 20 30 DGEDMM CCCCCCCCCN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001595705413 982285515 /nfs/dbraw/zinc/28/55/15/982285515.db2.gz ZGBQUCOCINURDN-CABCVRRESA-N -1 1 313.438 3.075 20 30 DGEDMM C=C[C@@H](NCc1ccc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588701320 983913937 /nfs/dbraw/zinc/91/39/37/983913937.db2.gz PXVWHDSYCOFXIJ-CQSZACIVSA-N -1 1 303.383 3.153 20 30 DGEDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(F)c1F ZINC001593189066 994108338 /nfs/dbraw/zinc/10/83/38/994108338.db2.gz DAIKXRUGACCYBA-QLJPJBMISA-N -1 1 316.307 3.313 20 30 DGEDMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cnc(C#N)c(C)c1 ZINC001210202581 1081917907 /nfs/dbraw/zinc/91/79/07/1081917907.db2.gz YAVCGXQDEMPQLN-UHFFFAOYSA-N -1 1 312.329 3.047 20 30 DGEDMM N#CCOc1ccccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001212598528 1081962714 /nfs/dbraw/zinc/96/27/14/1081962714.db2.gz ZDTXMUPNBJQFLC-UHFFFAOYSA-N -1 1 308.293 3.145 20 30 DGEDMM N#CCc1cc2ccccc2c(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170230854 1082320505 /nfs/dbraw/zinc/32/05/05/1082320505.db2.gz ZVODJXJCHNXAEV-UHFFFAOYSA-N -1 1 316.324 3.021 20 30 DGEDMM N#Cc1cc(F)c(C(=O)[N-]c2ccnc(Cl)c2F)c(F)c1 ZINC001129621198 1082488688 /nfs/dbraw/zinc/48/86/88/1082488688.db2.gz QYTDLECTOMZMTF-UHFFFAOYSA-N -1 1 311.650 3.276 20 30 DGEDMM N#Cc1cccc(OCC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001184283459 1084152265 /nfs/dbraw/zinc/15/22/65/1084152265.db2.gz KWYFTFDHSXLXBI-UHFFFAOYSA-N -1 1 316.744 3.008 20 30 DGEDMM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142543023 1087282126 /nfs/dbraw/zinc/28/21/26/1087282126.db2.gz YXLILLXKOPEVAQ-GFCCVEGCSA-N -1 1 316.307 3.381 20 30 DGEDMM C=CCC(F)(F)C(=O)Nc1cccc([O-])c1Br ZINC001158832037 1088059544 /nfs/dbraw/zinc/05/95/44/1088059544.db2.gz OAZSMFREJMIKFN-UHFFFAOYSA-N -1 1 306.106 3.305 20 30 DGEDMM N#Cc1ccc(NC(=O)c2cnc3[nH]ccc(Cl)c2-3)c(O)c1 ZINC001153101794 1088167833 /nfs/dbraw/zinc/16/78/33/1088167833.db2.gz FTTYQGKEDXONAU-UHFFFAOYSA-N -1 1 312.716 3.046 20 30 DGEDMM N#Cc1ccc(NC(=O)c2c[nH]c3nccc(Cl)c23)c([O-])c1 ZINC001153101794 1088167842 /nfs/dbraw/zinc/16/78/42/1088167842.db2.gz FTTYQGKEDXONAU-UHFFFAOYSA-N -1 1 312.716 3.046 20 30 DGEDMM CN(Cc1cc(C#N)cs1)C(=O)c1ccc(Cl)cc1[O-] ZINC001157478645 1089990696 /nfs/dbraw/zinc/99/06/96/1089990696.db2.gz WHVYPFZLVGQLDX-UHFFFAOYSA-N -1 1 306.774 3.251 20 30 DGEDMM N#CCCN(Cc1ccc(Cl)cc1)Cc1ccncc1[O-] ZINC001140281285 1091815709 /nfs/dbraw/zinc/81/57/09/1091815709.db2.gz ZTQMZTPANNFVII-UHFFFAOYSA-N -1 1 301.777 3.356 20 30 DGEDMM N#CCC1CN(Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1 ZINC001141348544 1092216398 /nfs/dbraw/zinc/21/63/98/1092216398.db2.gz JKFYEWBBFVKHDM-UHFFFAOYSA-N -1 1 306.365 3.397 20 30 DGEDMM C=CCC(C)(C)CNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001141402099 1092230833 /nfs/dbraw/zinc/23/08/33/1092230833.db2.gz ANMCYAUZRGCYPK-UHFFFAOYSA-N -1 1 302.349 3.412 20 30 DGEDMM C=C(Br)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001142704022 1092536489 /nfs/dbraw/zinc/53/64/89/1092536489.db2.gz KBVHQSSEKFFQSI-UHFFFAOYSA-N -1 1 324.096 3.049 20 30 DGEDMM N#C[C@@H](NC(=O)c1cc2cccc(O)c2cc1[O-])c1ccccc1 ZINC001149645367 1092716917 /nfs/dbraw/zinc/71/69/17/1092716917.db2.gz PCCDRBZRLBTBKO-MRXNPFEDSA-N -1 1 318.332 3.246 20 30 DGEDMM CNC(=O)c1cc(C#N)cc(C)c1Nc1cccc([O-])c1Cl ZINC001210859975 1093304233 /nfs/dbraw/zinc/30/42/33/1093304233.db2.gz ORLJOROMWOWUSS-UHFFFAOYSA-N -1 1 315.760 3.329 20 30 DGEDMM COC(=O)c1cc(C#N)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384516 1093577116 /nfs/dbraw/zinc/57/71/16/1093577116.db2.gz QNQGTIDADKWCMD-UHFFFAOYSA-N -1 1 304.252 3.072 20 30 DGEDMM N#Cc1cnccc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001214020661 1093696216 /nfs/dbraw/zinc/69/62/16/1093696216.db2.gz RMEMPYUZDIFPGD-UHFFFAOYSA-N -1 1 324.565 3.240 20 30 DGEDMM N#Cc1ccc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001214590597 1093809182 /nfs/dbraw/zinc/80/91/82/1093809182.db2.gz QJGAUGGGGYPTDA-UHFFFAOYSA-N -1 1 308.110 3.304 20 30 DGEDMM COc1ccc(Nc2nc(Br)ccc2[O-])cc1C#N ZINC001214993342 1093897862 /nfs/dbraw/zinc/89/78/62/1093897862.db2.gz BTILDCWCYYKHNP-UHFFFAOYSA-N -1 1 320.146 3.174 20 30 DGEDMM CON(C)C(=O)c1cc(F)cc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001222228871 1095501145 /nfs/dbraw/zinc/50/11/45/1095501145.db2.gz CUTMQQNORPOUAY-DJKKODMXSA-N -1 1 320.295 3.073 20 30 DGEDMM COc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)ccc1F ZINC001116373334 1095530421 /nfs/dbraw/zinc/53/04/21/1095530421.db2.gz BNFHZJZLBNNJOG-VIZOYTHASA-N -1 1 300.285 3.465 20 30 DGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC001339660184 1095691383 /nfs/dbraw/zinc/69/13/83/1095691383.db2.gz UZVZBSVXBFIHQW-UHFFFAOYSA-N -1 1 311.366 3.035 20 30 DGEDMM N#Cc1ccc2c(c1)CN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144647629 1095746876 /nfs/dbraw/zinc/74/68/76/1095746876.db2.gz JNVGEZZRSJNGTQ-UHFFFAOYSA-N -1 1 300.308 3.100 20 30 DGEDMM C[C@H]1C[C@@H](O/C(=N\[O-])c2ccccc2Br)CCO1 ZINC001223885828 1096085002 /nfs/dbraw/zinc/08/50/02/1096085002.db2.gz LSWCUPDKFIFENL-AUUQUMIYSA-N -1 1 314.179 3.169 20 30 DGEDMM [O-]/N=C(\OC[C@@H]1CCC=CO1)c1ccccc1Br ZINC001223884696 1096086442 /nfs/dbraw/zinc/08/64/42/1096086442.db2.gz PTDGCYINKVUDGE-ZSNVJIKNSA-N -1 1 312.163 3.294 20 30 DGEDMM Cc1ccc2nc(C(=O)Nc3ccc(C#N)cc3[O-])sc2c1 ZINC001147559999 1096239901 /nfs/dbraw/zinc/23/99/01/1096239901.db2.gz JKJQASNJVWJPFH-UHFFFAOYSA-N -1 1 309.350 3.434 20 30 DGEDMM COc1ccc(F)c(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)n1 ZINC001147777868 1096270791 /nfs/dbraw/zinc/27/07/91/1096270791.db2.gz MFYBIQATWOUAMN-UHFFFAOYSA-N -1 1 323.686 3.146 20 30 DGEDMM N#Cc1ccccc1CN1CC[C@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226114050 1096615324 /nfs/dbraw/zinc/61/53/24/1096615324.db2.gz DFLOSZAVNMMWBZ-CIPMJJFUSA-N -1 1 321.380 3.020 20 30 DGEDMM C[C@H](Oc1cccc(/C=N/[O-])c1)c1cc(Br)no1 ZINC001226116008 1096617160 /nfs/dbraw/zinc/61/71/60/1096617160.db2.gz LXDXSZQIXSBRJO-QZNXTOQNSA-N -1 1 311.135 3.385 20 30 DGEDMM CC(C)Oc1cc(COc2cccc(/C=N/[O-])c2)cnc1F ZINC001226116063 1096617170 /nfs/dbraw/zinc/61/71/70/1096617170.db2.gz MYQXUMXGTXHAFK-DJKKODMXSA-N -1 1 304.321 3.395 20 30 DGEDMM C=CC[C@@H](C)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2 ZINC001226619268 1096735260 /nfs/dbraw/zinc/73/52/60/1096735260.db2.gz NCKOPRXJXJNHAY-CYBMUJFWSA-N -1 1 311.385 3.041 20 30 DGEDMM C#C[C@@H](CC)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306360 1096915124 /nfs/dbraw/zinc/91/51/24/1096915124.db2.gz IZLXIEOJWGKVJT-JTQLQIEISA-N -1 1 310.305 3.148 20 30 DGEDMM C#CC[C@H](CC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580291 1096953939 /nfs/dbraw/zinc/95/39/39/1096953939.db2.gz LJFYOUMQBDJQAU-LBPRGKRZSA-N -1 1 320.344 3.348 20 30 DGEDMM N#Cc1c([O-])ccc(O[C@@H](c2cccnc2)C(F)(F)F)c1C#N ZINC001227618822 1096962056 /nfs/dbraw/zinc/96/20/56/1096962056.db2.gz NLLYGDCTQJXRBM-AWEZNQCLSA-N -1 1 319.242 3.213 20 30 DGEDMM C[C@@H](COc1ccc([O-])c(C#N)c1C#N)OCc1ccccc1 ZINC001227619013 1096962612 /nfs/dbraw/zinc/96/26/12/1096962612.db2.gz PWWUXVHOBHSRJZ-ZDUSSCGKSA-N -1 1 308.337 3.120 20 30 DGEDMM COc1cccc2c1[C@@H](Oc1ccc([O-])c(C#N)c1C#N)CCO2 ZINC001227620001 1096963672 /nfs/dbraw/zinc/96/36/72/1096963672.db2.gz WXIUYJFPNRFQLT-KRWDZBQOSA-N -1 1 322.320 3.047 20 30 DGEDMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228005239 1097030385 /nfs/dbraw/zinc/03/03/85/1097030385.db2.gz JNCAIHJWXCEFEN-XBXGTLAGSA-N -1 1 318.373 3.041 20 30 DGEDMM CCCCOC[C@H](C)OC[C@H](C)Oc1cc([O-])ccc1C#N ZINC001228006466 1097031077 /nfs/dbraw/zinc/03/10/77/1097031077.db2.gz CETBLRHQNFJBHC-KBPBESRZSA-N -1 1 307.390 3.253 20 30 DGEDMM CCN(CC)C(=O)[C@H](Oc1cc([O-])ccc1C#N)c1ccccc1 ZINC001228007191 1097031446 /nfs/dbraw/zinc/03/14/46/1097031446.db2.gz NGRPWMWGAGVBQG-GOSISDBHSA-N -1 1 324.380 3.252 20 30 DGEDMM CCN(CC)C(=O)[C@@H](Oc1cc([O-])ccc1C#N)c1ccccc1 ZINC001228007195 1097031600 /nfs/dbraw/zinc/03/16/00/1097031600.db2.gz NGRPWMWGAGVBQG-SFHVURJKSA-N -1 1 324.380 3.252 20 30 DGEDMM C#CC[C@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229828698 1097394713 /nfs/dbraw/zinc/39/47/13/1097394713.db2.gz DATMSZWZAGCKCJ-NSHDSACASA-N -1 1 320.344 3.267 20 30 DGEDMM N#Cc1ccc(NC(=O)c2cc3c(Cl)[nH]ccc-3n2)c([O-])c1 ZINC001174584270 1097768210 /nfs/dbraw/zinc/76/82/10/1097768210.db2.gz FXRIXUWLJRLUJZ-UHFFFAOYSA-N -1 1 312.716 3.046 20 30 DGEDMM CCOC(=O)c1c(C)oc(Nc2c(F)ccc([O-])c2F)c1C#N ZINC001175262888 1097996211 /nfs/dbraw/zinc/99/62/11/1097996211.db2.gz BGNIMIVXMMAKLN-UHFFFAOYSA-N -1 1 322.267 3.364 20 30 DGEDMM N#C[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497755 1098351406 /nfs/dbraw/zinc/35/14/06/1098351406.db2.gz HNVQVOJTQWPVFP-JGVFFNPUSA-N -1 1 306.709 3.196 20 30 DGEDMM C=C1O[C@@H](CC)C(=O)C1Oc1cc([O-])ccc1C(=O)CCC ZINC001233650937 1098399411 /nfs/dbraw/zinc/39/94/11/1098399411.db2.gz UADYRKWNNVJQJZ-AWEZNQCLSA-N -1 1 304.342 3.363 20 30 DGEDMM C#C[C@@H](CC)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745570 1098658040 /nfs/dbraw/zinc/65/80/40/1098658040.db2.gz VDPHCONOYCIKSQ-LBPRGKRZSA-N -1 1 310.305 3.148 20 30 DGEDMM COc1ccc(OC[C@@H](C)Oc2ccccc2C=N[O-])cc1 ZINC001234819474 1098670518 /nfs/dbraw/zinc/67/05/18/1098670518.db2.gz MBQSRLGQEFMAOR-CYBMUJFWSA-N -1 1 301.342 3.350 20 30 DGEDMM CC#C[C@H](CC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234874916 1098692586 /nfs/dbraw/zinc/69/25/86/1098692586.db2.gz OCWGVXXQYYPIHH-VIFPVBQESA-N -1 1 314.135 3.244 20 30 DGEDMM Cc1c(Cl)c(-c2cc3[nH]cnc3c(C#N)n2)ccc1C(=O)[O-] ZINC001236109796 1099398284 /nfs/dbraw/zinc/39/82/84/1099398284.db2.gz YBPGAFLJCJMQAL-UHFFFAOYSA-N -1 1 312.716 3.157 20 30 DGEDMM N#Cc1cccc(NCc2ncc(Br)cc2[O-])c1 ZINC001180488446 1099422905 /nfs/dbraw/zinc/42/29/05/1099422905.db2.gz NLMWLQSZGAFRGL-UHFFFAOYSA-N -1 1 304.147 3.033 20 30 DGEDMM Cc1cccc([O-])c1C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001188654546 1099807708 /nfs/dbraw/zinc/80/77/08/1099807708.db2.gz CCNXXOYEKDJPIN-UHFFFAOYSA-N -1 1 303.321 3.373 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1Cl ZINC001190658419 1100308469 /nfs/dbraw/zinc/30/84/69/1100308469.db2.gz WDGUBWUOVHFHLP-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CC[C@H](CC#N)NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191517004 1100477313 /nfs/dbraw/zinc/47/73/13/1100477313.db2.gz DKDFOTVVWRSADU-CQSZACIVSA-N -1 1 322.364 3.045 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(-c2ccccc2)c1 ZINC001193158645 1100714323 /nfs/dbraw/zinc/71/43/23/1100714323.db2.gz SSNXQBZEQLPFET-CYBMUJFWSA-N -1 1 300.383 3.316 20 30 DGEDMM 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Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)s1 ZINC000225227193 165382341 /nfs/dbraw/zinc/38/23/41/165382341.db2.gz AZTYHSRQHNMMIF-UHFFFAOYSA-N -1 1 312.803 3.382 20 30 DGEDMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190994795 432208993 /nfs/dbraw/zinc/20/89/93/432208993.db2.gz AOJUYVREZMPJIC-AWEZNQCLSA-N -1 1 324.380 3.078 20 30 DGEDMM CCCCCCCCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000270047901 432228079 /nfs/dbraw/zinc/22/80/79/432228079.db2.gz MMLKXNYOQHGIMZ-UHFFFAOYSA-N -1 1 311.451 3.303 20 30 DGEDMM COC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCC(C)CC1 ZINC000331056099 229016254 /nfs/dbraw/zinc/01/62/54/229016254.db2.gz PNECRFAJDDWQFQ-UHFFFAOYSA-N -1 1 302.374 3.164 20 30 DGEDMM Cc1ccncc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000356990697 229343550 /nfs/dbraw/zinc/34/35/50/229343550.db2.gz BNPDPBJKYSVIMQ-LLVKDONJSA-N -1 1 305.259 3.294 20 30 DGEDMM CCOc1cccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000191163271 432228763 /nfs/dbraw/zinc/22/87/63/432228763.db2.gz QDAWUDBQDSECQN-LBPRGKRZSA-N -1 1 310.353 3.154 20 30 DGEDMM N#Cc1cc([N-]S(=O)(=O)Cc2ccccc2)nc2ccccc12 ZINC000351226247 268014823 /nfs/dbraw/zinc/01/48/23/268014823.db2.gz RRVFGIYYSAZIDW-UHFFFAOYSA-N -1 1 323.377 3.048 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000527192118 268202264 /nfs/dbraw/zinc/20/22/64/268202264.db2.gz VEMNRMAGMSNJRV-CXAGYDPISA-N -1 1 324.355 3.469 20 30 DGEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000172882460 432241972 /nfs/dbraw/zinc/24/19/72/432241972.db2.gz QDGCNGSYYNSBKD-UHFFFAOYSA-N -1 1 300.383 3.482 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc(C)c1F ZINC000172889733 432243768 /nfs/dbraw/zinc/24/37/68/432243768.db2.gz FPEMSFADBJITNC-UHFFFAOYSA-N -1 1 318.373 3.423 20 30 DGEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1csnn1 ZINC000108324583 431133465 /nfs/dbraw/zinc/13/34/65/431133465.db2.gz UWBJQRJXYMUUAS-SECBINFHSA-N -1 1 304.400 3.042 20 30 DGEDMM CCSc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000071091866 431271827 /nfs/dbraw/zinc/27/18/27/431271827.db2.gz YSOSZCRZSXSVNL-UHFFFAOYSA-N -1 1 318.423 3.471 20 30 DGEDMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000032098430 431771105 /nfs/dbraw/zinc/77/11/05/431771105.db2.gz FAYKYZKMJSOQRZ-UHFFFAOYSA-N -1 1 300.383 3.312 20 30 DGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000080716547 431776034 /nfs/dbraw/zinc/77/60/34/431776034.db2.gz WUIDLKZCOIVHGH-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000055663423 431984190 /nfs/dbraw/zinc/98/41/90/431984190.db2.gz HAMBZECCJZBAPI-UHFFFAOYSA-N -1 1 316.382 3.066 20 30 DGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193357395 432468418 /nfs/dbraw/zinc/46/84/18/432468418.db2.gz XTFJLQFZZNAZIA-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM Cn1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(-c2ccncc2)n1 ZINC000187224655 432652609 /nfs/dbraw/zinc/65/26/09/432652609.db2.gz YJKKLQQSBAWEKW-NTEUORMPSA-N -1 1 317.348 3.010 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[O-] ZINC000188251256 432714949 /nfs/dbraw/zinc/71/49/49/432714949.db2.gz NTGZPHKZOYXCOF-NEPJUHHUSA-N -1 1 312.291 3.115 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1[O-] ZINC000188307103 432717839 /nfs/dbraw/zinc/71/78/39/432717839.db2.gz MHPZBRULEXPVBL-QGZVFWFLSA-N -1 1 321.380 3.416 20 30 DGEDMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188402343 432724099 /nfs/dbraw/zinc/72/40/99/432724099.db2.gz VXHQDNSKJUIWLQ-GOSISDBHSA-N -1 1 320.392 3.420 20 30 DGEDMM N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1[O-] ZINC000188415631 432724299 /nfs/dbraw/zinc/72/42/99/432724299.db2.gz QQHYXCBGHBFYRW-UHFFFAOYSA-N -1 1 324.355 3.455 20 30 DGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188438900 432725865 /nfs/dbraw/zinc/72/58/65/432725865.db2.gz PHJXYGFUDSPCIH-UHFFFAOYSA-N -1 1 319.364 3.186 20 30 DGEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)Cc1ccsc1 ZINC000188888358 432751056 /nfs/dbraw/zinc/75/10/56/432751056.db2.gz HKZYKUCWXJAIFY-GFCCVEGCSA-N -1 1 314.410 3.419 20 30 DGEDMM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000189224064 432771433 /nfs/dbraw/zinc/77/14/33/432771433.db2.gz SQBHUJMVIOGIGP-UHFFFAOYSA-N -1 1 306.365 3.079 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(Cl)c1 ZINC000230334342 432729329 /nfs/dbraw/zinc/72/93/29/432729329.db2.gz QYCQXDCSCOMPOE-UHFFFAOYSA-N -1 1 312.803 3.382 20 30 DGEDMM CC[C@@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1nc(C)cs1 ZINC000188710686 432742212 /nfs/dbraw/zinc/74/22/12/432742212.db2.gz IYABDOAVMUQTLB-MRXNPFEDSA-N -1 1 315.398 3.084 20 30 DGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)ccc1C#N ZINC000235745335 432743560 /nfs/dbraw/zinc/74/35/60/432743560.db2.gz HQAXWMSGWGOACQ-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM Cc1cc(Br)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000362283744 433620657 /nfs/dbraw/zinc/62/06/57/433620657.db2.gz DBXPOAXCEUDORS-GFCCVEGCSA-N -1 1 316.158 3.038 20 30 DGEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427124148 433656485 /nfs/dbraw/zinc/65/64/85/433656485.db2.gz OKEYCICYGRUMGX-UHFFFAOYSA-N -1 1 318.373 3.369 20 30 DGEDMM Cn1cncc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000436699575 434071033 /nfs/dbraw/zinc/07/10/33/434071033.db2.gz VBUVMYBARHUPSH-SECBINFHSA-N -1 1 316.773 3.173 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000416961402 434260916 /nfs/dbraw/zinc/26/09/16/434260916.db2.gz SBJRPKVOPLSSFQ-SSDOTTSWSA-N -1 1 308.737 3.321 20 30 DGEDMM CCc1onc(C)c1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000328765164 434308054 /nfs/dbraw/zinc/30/80/54/434308054.db2.gz AKVFWZKVXABNTI-UHFFFAOYSA-N -1 1 305.334 3.064 20 30 DGEDMM Cc1noc(C2CC2)c1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000328756333 434309744 /nfs/dbraw/zinc/30/97/44/434309744.db2.gz UBZHGFVQASDUHZ-UHFFFAOYSA-N -1 1 317.345 3.379 20 30 DGEDMM Cc1ccsc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000437923780 434367676 /nfs/dbraw/zinc/36/76/76/434367676.db2.gz VSQPGBRFNVJJOU-UHFFFAOYSA-N -1 1 312.803 3.382 20 30 DGEDMM C=C[C@](C)(CC)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450698127 434347070 /nfs/dbraw/zinc/34/70/70/434347070.db2.gz PCSWMSAOICYLGS-OAHLLOKOSA-N -1 1 320.780 3.372 20 30 DGEDMM C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450698127 434347080 /nfs/dbraw/zinc/34/70/80/434347080.db2.gz PCSWMSAOICYLGS-OAHLLOKOSA-N -1 1 320.780 3.372 20 30 DGEDMM CSc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000340789480 434357785 /nfs/dbraw/zinc/35/77/85/434357785.db2.gz GDIRZZQJDRGMJZ-UHFFFAOYSA-N -1 1 318.423 3.389 20 30 DGEDMM CCOc1cc(C(=O)NCC(C)(C)CC#N)cc(Cl)c1[O-] ZINC000457992031 434430958 /nfs/dbraw/zinc/43/09/58/434430958.db2.gz SIMKSVRAPWZJBK-UHFFFAOYSA-N -1 1 310.781 3.114 20 30 DGEDMM CC(C)(CC#N)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000457990377 434431327 /nfs/dbraw/zinc/43/13/27/434431327.db2.gz HBJQNJFHEAHATO-UHFFFAOYSA-N -1 1 300.280 3.081 20 30 DGEDMM Cc1cnc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000329605417 434440406 /nfs/dbraw/zinc/44/04/06/434440406.db2.gz MCCWFJMRRLDRCS-CYBMUJFWSA-N -1 1 304.390 3.282 20 30 DGEDMM Cc1cnc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000329605420 434441505 /nfs/dbraw/zinc/44/15/05/434441505.db2.gz MCCWFJMRRLDRCS-ZDUSSCGKSA-N -1 1 304.390 3.282 20 30 DGEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000450993077 434522481 /nfs/dbraw/zinc/52/24/81/434522481.db2.gz SXOSODSSBZEUOR-SKDRFNHKSA-N -1 1 318.851 3.152 20 30 DGEDMM C=CCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000371883628 434766301 /nfs/dbraw/zinc/76/63/01/434766301.db2.gz JXJKWKKVCJIAGT-UHFFFAOYSA-N -1 1 301.386 3.170 20 30 DGEDMM CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1CC ZINC000486078541 435587381 /nfs/dbraw/zinc/58/73/81/435587381.db2.gz KNFNHOVQQBNERS-UHFFFAOYSA-N -1 1 314.410 3.484 20 30 DGEDMM CC(=Cc1ccc(C(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000530423410 313368494 /nfs/dbraw/zinc/36/84/94/313368494.db2.gz DQQOXNKNKMTUEA-VQHVLOKHSA-N -1 1 301.296 3.448 20 30 DGEDMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000546598997 314313261 /nfs/dbraw/zinc/31/32/61/314313261.db2.gz FMKZWQTUMZGNQP-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000561528603 314973031 /nfs/dbraw/zinc/97/30/31/314973031.db2.gz JRPAEPQMWDNVCL-CHWSQXEVSA-N -1 1 310.419 3.034 20 30 DGEDMM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CC1(F)F ZINC000296682638 334235918 /nfs/dbraw/zinc/23/59/18/334235918.db2.gz BNNOVUJDKDYRHE-ANLVUFKYSA-N -1 1 315.188 3.340 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3=O)n1 ZINC000551790840 341351880 /nfs/dbraw/zinc/35/18/80/341351880.db2.gz YRQVWNDACGAGDS-CQSZACIVSA-N -1 1 310.378 3.461 20 30 DGEDMM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cncc([O-])c1 ZINC000348784228 534325606 /nfs/dbraw/zinc/32/56/06/534325606.db2.gz TUWGNERTQPLYED-UHFFFAOYSA-N -1 1 314.344 3.439 20 30 DGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cncc([O-])c1 ZINC000111775476 526336990 /nfs/dbraw/zinc/33/69/90/526336990.db2.gz ZGCJQUYMCSYUFL-UHFFFAOYSA-N -1 1 308.790 3.331 20 30 DGEDMM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCO1 ZINC000331261611 526678368 /nfs/dbraw/zinc/67/83/68/526678368.db2.gz CENWXLQWXFNNJD-ZFWWWQNUSA-N -1 1 302.374 3.162 20 30 DGEDMM C=CCCCCCN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000176414453 527125842 /nfs/dbraw/zinc/12/58/42/527125842.db2.gz JKURTVYQTYXSHN-UHFFFAOYSA-N -1 1 319.449 3.194 20 30 DGEDMM CC(C)(C#N)c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436861846 527495113 /nfs/dbraw/zinc/49/51/13/527495113.db2.gz CHYHXMDKQORWJH-UHFFFAOYSA-N -1 1 308.337 3.015 20 30 DGEDMM CC(=Cc1cccc(OC(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339942 527500262 /nfs/dbraw/zinc/50/02/62/527500262.db2.gz ZHBIWFUMDIHFQN-TWGQIWQCSA-N -1 1 317.295 3.112 20 30 DGEDMM CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442948698 528940702 /nfs/dbraw/zinc/94/07/02/528940702.db2.gz XCCQZXXQUPHKJR-UHFFFAOYSA-N -1 1 312.344 3.454 20 30 DGEDMM O=C(NCC#Cc1ccccc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871105 549710426 /nfs/dbraw/zinc/71/04/26/549710426.db2.gz TZAGVVIFLFTQCN-UHFFFAOYSA-N -1 1 319.282 3.193 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CCSc3c(Cl)cccc32)n1 ZINC000731922734 574562433 /nfs/dbraw/zinc/56/24/33/574562433.db2.gz MGCAUMJHVKWUPN-UHFFFAOYSA-N -1 1 320.805 3.456 20 30 DGEDMM C=CCCCCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000735408205 574701114 /nfs/dbraw/zinc/70/11/14/574701114.db2.gz HNJFPMCCXYUIEW-UHFFFAOYSA-N -1 1 312.830 3.159 20 30 DGEDMM C=CCCCCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000735408205 574701116 /nfs/dbraw/zinc/70/11/16/574701116.db2.gz HNJFPMCCXYUIEW-UHFFFAOYSA-N -1 1 312.830 3.159 20 30 DGEDMM CCCCC(CC)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736436929 574751302 /nfs/dbraw/zinc/75/13/02/574751302.db2.gz BLXSSSJVOYCVGQ-UHFFFAOYSA-N -1 1 305.386 3.346 20 30 DGEDMM CCCCCCC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC000736443582 574752733 /nfs/dbraw/zinc/75/27/33/574752733.db2.gz AIFGOLFPXRTTAT-GFCCVEGCSA-N -1 1 303.414 3.065 20 30 DGEDMM CCCCCCC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC000736443582 574752736 /nfs/dbraw/zinc/75/27/36/574752736.db2.gz AIFGOLFPXRTTAT-GFCCVEGCSA-N -1 1 303.414 3.065 20 30 DGEDMM COc1ccc(C)cc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737976685 574857886 /nfs/dbraw/zinc/85/78/86/574857886.db2.gz YOTUNRFQARYTLR-FZKQIMNGSA-N -1 1 324.380 3.352 20 30 DGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000740705832 574940001 /nfs/dbraw/zinc/94/00/01/574940001.db2.gz WUAJAOBVBJJSHS-UHFFFAOYSA-N -1 1 308.362 3.017 20 30 DGEDMM C[C@H](/N=C\c1ccccc1O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741166315 574952538 /nfs/dbraw/zinc/95/25/38/574952538.db2.gz ZVBSXQFQRSWKBD-ABYYHFPLSA-N -1 1 324.424 3.101 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccccc3)nc1-2 ZINC000741751631 574968731 /nfs/dbraw/zinc/96/87/31/574968731.db2.gz LUBAYRVXWZHEDZ-DANTVBBOSA-N -1 1 302.337 3.156 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(C)c(C)cc2OC(F)F)n1 ZINC000743419386 575050509 /nfs/dbraw/zinc/05/05/09/575050509.db2.gz UKQCMYNXJWMLCQ-UHFFFAOYSA-N -1 1 322.315 3.155 20 30 DGEDMM [O-]c1c(F)cc(CN=Nc2nncc3ccccc32)cc1F ZINC000749857919 575683602 /nfs/dbraw/zinc/68/36/02/575683602.db2.gz JNZWXCFPDRURKH-UHFFFAOYSA-N -1 1 300.268 3.060 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccsc3)nc1-2 ZINC000750722051 575747132 /nfs/dbraw/zinc/74/71/32/575747132.db2.gz ACSJXKLZMUZSLU-JDGPPOGSSA-N -1 1 308.366 3.218 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccccc3F)nc1-2 ZINC000750723732 575747876 /nfs/dbraw/zinc/74/78/76/575747876.db2.gz KEXGCOYVWYGGCS-FWWRYZNZSA-N -1 1 320.327 3.295 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3c(C)cc(Cl)cc32)n1 ZINC000750909709 575760510 /nfs/dbraw/zinc/76/05/10/575760510.db2.gz HVPQANUHJHOPIC-UHFFFAOYSA-N -1 1 318.764 3.051 20 30 DGEDMM CCOC(=O)c1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)o1 ZINC000751515297 575788050 /nfs/dbraw/zinc/78/80/50/575788050.db2.gz XPTMNZZRTBSCMY-RIYZIHGNSA-N -1 1 314.293 3.087 20 30 DGEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ccc2c(c1)OCCO2 ZINC000726427256 576022527 /nfs/dbraw/zinc/02/25/27/576022527.db2.gz HXWBOONYLGQIEL-ZROIWOOFSA-N -1 1 308.333 3.376 20 30 DGEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccc2c(c1)OCCO2 ZINC000726427255 576022851 /nfs/dbraw/zinc/02/28/51/576022851.db2.gz HXWBOONYLGQIEL-NTEUORMPSA-N -1 1 308.333 3.376 20 30 DGEDMM CC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727061294 576099549 /nfs/dbraw/zinc/09/95/49/576099549.db2.gz FSNVLWRGVNOQFU-UHFFFAOYSA-N -1 1 303.387 3.295 20 30 DGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccco1 ZINC000916900193 620649283 /nfs/dbraw/zinc/64/92/83/620649283.db2.gz NOGOUHVLKKZYMG-AWEZNQCLSA-N -1 1 310.353 3.366 20 30 DGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccco1 ZINC000916900194 620649286 /nfs/dbraw/zinc/64/92/86/620649286.db2.gz NOGOUHVLKKZYMG-CQSZACIVSA-N -1 1 310.353 3.366 20 30 DGEDMM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916913207 620650005 /nfs/dbraw/zinc/65/00/05/620650005.db2.gz VFXBLUIBTAFUGU-JTQLQIEISA-N -1 1 302.717 3.203 20 30 DGEDMM C[C@@H](Oc1ccc(CN=Nc2ccccc2F)cc1)C(=O)[O-] ZINC000794888388 602071364 /nfs/dbraw/zinc/07/13/64/602071364.db2.gz NBIFPGSBBXNUGB-LLVKDONJSA-N -1 1 302.305 3.124 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]c3cc(Cl)ccc23)n1 ZINC000918708516 620720964 /nfs/dbraw/zinc/72/09/64/620720964.db2.gz JZOFSYPJTUDEPU-UHFFFAOYSA-N -1 1 301.737 3.071 20 30 DGEDMM C=CC[C@H]1CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000890552463 617610703 /nfs/dbraw/zinc/61/07/03/617610703.db2.gz LCEBSJMRZCKSGY-NSHDSACASA-N -1 1 302.761 3.384 20 30 DGEDMM C=CC[C@@H]1CCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000890552462 617610736 /nfs/dbraw/zinc/61/07/36/617610736.db2.gz LCEBSJMRZCKSGY-LLVKDONJSA-N -1 1 302.761 3.384 20 30 DGEDMM Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc(C)c1O ZINC000806559050 617630827 /nfs/dbraw/zinc/63/08/27/617630827.db2.gz STSANMMPWWRGER-UTCJRWHESA-N -1 1 312.321 3.309 20 30 DGEDMM C#C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000890658494 617635834 /nfs/dbraw/zinc/63/58/34/617635834.db2.gz NLYWCSXPXRNPLF-CQSZACIVSA-N -1 1 323.348 3.093 20 30 DGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncsc1C1CC1 ZINC000892420493 618061625 /nfs/dbraw/zinc/06/16/25/618061625.db2.gz SUKPDUGCZLQEJC-NSHDSACASA-N -1 1 322.393 3.397 20 30 DGEDMM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000892419805 618062320 /nfs/dbraw/zinc/06/23/20/618062320.db2.gz HVKBDEKXDLUWLN-GFCCVEGCSA-N -1 1 319.368 3.275 20 30 DGEDMM N#Cc1c([N-]C(=O)c2scnc2Cl)sc2c1CCC2 ZINC000920078470 620781522 /nfs/dbraw/zinc/78/15/22/620781522.db2.gz LPFLQBLCAAKXOB-UHFFFAOYSA-N -1 1 309.803 3.471 20 30 DGEDMM C[C@@H](C#N)CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000897194414 619028178 /nfs/dbraw/zinc/02/81/78/619028178.db2.gz KKEWXXIHHJUOGT-NSHDSACASA-N -1 1 310.353 3.015 20 30 DGEDMM C#CCCc1cc(=O)n(-c2ccc(OCC(F)(F)F)cc2)[n-]1 ZINC000899349380 619328847 /nfs/dbraw/zinc/32/88/47/619328847.db2.gz BNHSONUDIPLSTD-UHFFFAOYSA-N -1 1 310.275 3.134 20 30 DGEDMM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)OCCc2ccccc21 ZINC000901374501 619491846 /nfs/dbraw/zinc/49/18/46/619491846.db2.gz LCTARWWYSPVMJX-GOSISDBHSA-N -1 1 315.344 3.032 20 30 DGEDMM COc1ccc(O[C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375518 619491996 /nfs/dbraw/zinc/49/19/96/619491996.db2.gz JNRRBJGOPZZQRK-GFCCVEGCSA-N -1 1 319.332 3.020 20 30 DGEDMM CC1CC(C#N)(C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709058 620220831 /nfs/dbraw/zinc/22/08/31/620220831.db2.gz HCFBFUCRXUPWOC-UHFFFAOYSA-N -1 1 309.163 3.033 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc3c(c1)OCCO3)O2 ZINC000915989101 620612110 /nfs/dbraw/zinc/61/21/10/620612110.db2.gz XSEBNFYIIOKURD-LZYBPNLTSA-N -1 1 310.305 3.088 20 30 DGEDMM C=CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000855383459 620897734 /nfs/dbraw/zinc/89/77/34/620897734.db2.gz WUNYKLAOTUVHAC-UHFFFAOYSA-N -1 1 306.362 3.045 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CCCC1 ZINC000921560317 620909501 /nfs/dbraw/zinc/90/95/01/620909501.db2.gz RWIKOTQNIOTTPN-INIZCTEOSA-N -1 1 310.353 3.063 20 30 DGEDMM C=CCCCCCCCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000752985439 621418798 /nfs/dbraw/zinc/41/87/98/621418798.db2.gz OZJASPOEEUVCOX-UHFFFAOYSA-N -1 1 323.462 3.469 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(O)c(OC)c2)c1 ZINC000117895678 621465500 /nfs/dbraw/zinc/46/55/00/621465500.db2.gz OASANWSHLKGVCP-ZZXKWVIFSA-N -1 1 300.310 3.011 20 30 DGEDMM CCC(N=Nc1cc(C)ccn1)c1cc(C(=O)[O-])ccc1F ZINC000756895861 621670844 /nfs/dbraw/zinc/67/08/44/621670844.db2.gz YMRZQQXINMJPKA-UHFFFAOYSA-N -1 1 301.321 3.454 20 30 DGEDMM CCC(=N[N-]c1cc(C)cc[nH+]1)c1cc(C(=O)[O-])ccc1F ZINC000756895861 621670846 /nfs/dbraw/zinc/67/08/46/621670846.db2.gz YMRZQQXINMJPKA-UHFFFAOYSA-N -1 1 301.321 3.454 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc(F)ccc1O ZINC000756901307 621671369 /nfs/dbraw/zinc/67/13/69/621671369.db2.gz OFVPJMDSUNLRPC-UHFFFAOYSA-N -1 1 318.304 3.074 20 30 DGEDMM CC(=NNCc1ccc(F)cc1F)c1cc(F)cc(F)c1[O-] ZINC000757460279 621713037 /nfs/dbraw/zinc/71/30/37/621713037.db2.gz BMOVOPZPMOKMBT-UHFFFAOYSA-N -1 1 312.266 3.462 20 30 DGEDMM COc1cc(C)c(/C=C\C(=O)c2cc(O)ccc2[O-])cc1OC ZINC000757467167 621713996 /nfs/dbraw/zinc/71/39/96/621713996.db2.gz BIQPSRVLZHNBHG-XQRVVYSFSA-N -1 1 314.337 3.320 20 30 DGEDMM COCc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000757471305 621714814 /nfs/dbraw/zinc/71/48/14/621714814.db2.gz ANFQKKCALCEFPN-ALCCZGGFSA-N -1 1 312.321 3.133 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2c(F)cccc2F)c1 ZINC000757471743 621714903 /nfs/dbraw/zinc/71/49/03/621714903.db2.gz DELVKBMOBLKMAM-FNORWQNLSA-N -1 1 304.248 3.265 20 30 DGEDMM CCC(=NNc1nc2ccccc2n1C)c1ccc(C(=O)[O-])cc1 ZINC000760244384 621924114 /nfs/dbraw/zinc/92/41/14/621924114.db2.gz XBQJBIMPFQRDCK-UHFFFAOYSA-N -1 1 322.368 3.498 20 30 DGEDMM COCCOc1ccccc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866331778 622095324 /nfs/dbraw/zinc/09/53/24/622095324.db2.gz PPTUIVGOIAYYSO-CYBMUJFWSA-N -1 1 312.369 3.462 20 30 DGEDMM Oc1ccc(Cl)cc1/C=N\[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763098339 622122984 /nfs/dbraw/zinc/12/29/84/622122984.db2.gz WLVDUXRNJOSIAK-CFMHKOELSA-N -1 1 322.836 3.108 20 30 DGEDMM CC(C)c1cc(C(=O)N=C2C[C@@H](C)ON2)c([O-])c(C(C)C)c1 ZINC000765376407 622261725 /nfs/dbraw/zinc/26/17/25/622261725.db2.gz OUCUMPOQUOZOGO-LLVKDONJSA-N -1 1 304.390 3.491 20 30 DGEDMM C=CC[C@H](C)C(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769808997 622562479 /nfs/dbraw/zinc/56/24/79/622562479.db2.gz QZNDDUKCXZXURJ-JTQLQIEISA-N -1 1 316.409 3.287 20 30 DGEDMM Cn1nc2c(c1/C=C\C(=O)c1cccc([O-])c1F)CCCC2 ZINC000871672814 622663691 /nfs/dbraw/zinc/66/36/91/622663691.db2.gz ZPIVRWBVEXPBFQ-KTKRTIGZSA-N -1 1 300.333 3.040 20 30 DGEDMM CC(C)C1(C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000872351735 622894154 /nfs/dbraw/zinc/89/41/54/622894154.db2.gz OEKMYXIFCQPOBT-UHFFFAOYSA-N -1 1 316.409 3.121 20 30 DGEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NNC2CCCC2)cs1 ZINC000872347621 622894376 /nfs/dbraw/zinc/89/43/76/622894376.db2.gz AIKJJBHFRSUMDT-UHFFFAOYSA-N -1 1 310.423 3.356 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(F)cc(C(F)(F)F)c2)n1 ZINC000772828524 622946841 /nfs/dbraw/zinc/94/68/41/622946841.db2.gz WMAWKGVMDNVPOW-UHFFFAOYSA-N -1 1 314.242 3.095 20 30 DGEDMM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)ccc1C ZINC000773142929 622991366 /nfs/dbraw/zinc/99/13/66/622991366.db2.gz IXAFIMWZOSEBCF-FNORWQNLSA-N -1 1 312.321 3.304 20 30 DGEDMM Cc1cccnc1NN=Cc1cc(O)cc(Br)c1[O-] ZINC000790191576 625615594 /nfs/dbraw/zinc/61/55/94/625615594.db2.gz WTLZNIKFTXOJPL-UHFFFAOYSA-N -1 1 322.162 3.010 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc3ccccc3c2)c1 ZINC000776328042 623412050 /nfs/dbraw/zinc/41/20/50/623412050.db2.gz OXCPEXUBNCGVQP-UHFFFAOYSA-N -1 1 302.333 3.347 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)c1 ZINC000777918469 623585248 /nfs/dbraw/zinc/58/52/48/623585248.db2.gz LYGDNPYQFZHVSK-UTCJRWHESA-N -1 1 317.272 3.344 20 30 DGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2s1 ZINC000785415099 624663246 /nfs/dbraw/zinc/66/32/46/624663246.db2.gz GXRGSIQHVBKXKS-JTQLQIEISA-N -1 1 323.377 3.365 20 30 DGEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c([O-])cccc1Cl ZINC000787842666 625061542 /nfs/dbraw/zinc/06/15/42/625061542.db2.gz IMKFMECFRUCBAL-CQSZACIVSA-N -1 1 312.756 3.335 20 30 DGEDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)c(C#N)c2)c1 ZINC000799547778 626309090 /nfs/dbraw/zinc/30/90/90/626309090.db2.gz WYKPOTKRSSCGAZ-UHFFFAOYSA-N -1 1 323.348 3.174 20 30 DGEDMM COC(=O)c1coc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])c1 ZINC000799896657 626334445 /nfs/dbraw/zinc/33/44/45/626334445.db2.gz XRVCLMBSHIGAPP-SNAWJCMRSA-N -1 1 300.310 3.285 20 30 DGEDMM N#CC(=C([O-])c1ccc(Cl)nc1)c1cnc2ccccc2n1 ZINC000802227670 626436208 /nfs/dbraw/zinc/43/62/08/626436208.db2.gz IUCTUKMKGQOUPZ-LLVKDONJSA-N -1 1 308.728 3.168 20 30 DGEDMM N#Cc1sc([N-]c2ccn(Cc3ccccn3)n2)nc1Cl ZINC000804425810 626679093 /nfs/dbraw/zinc/67/90/93/626679093.db2.gz ABRAYGLKKIWUPU-UHFFFAOYSA-N -1 1 316.777 3.052 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2nc(Cl)cs2)c(O)c1 ZINC000806558405 626720634 /nfs/dbraw/zinc/72/06/34/626720634.db2.gz BMGQQUOOEABKBY-ARJAWSKDSA-N -1 1 309.730 3.096 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C\c2scnc2C2CC2)c(O)c1 ZINC000806560790 626721190 /nfs/dbraw/zinc/72/11/90/626721190.db2.gz ONIBAFSYSIFWAU-WAYWQWQTSA-N -1 1 315.350 3.320 20 30 DGEDMM Cc1nc(-c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)co1 ZINC000809597741 626924053 /nfs/dbraw/zinc/92/40/53/626924053.db2.gz WOVGFGCKARDHGI-UHFFFAOYSA-N -1 1 319.320 3.480 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cc(F)ccc2OC)c1 ZINC000812243326 627364383 /nfs/dbraw/zinc/36/43/83/627364383.db2.gz JCOVCBZUOJQOGC-UTCJRWHESA-N -1 1 302.301 3.445 20 30 DGEDMM C#C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000812351164 627373712 /nfs/dbraw/zinc/37/37/12/627373712.db2.gz HPYAUVFLCVNLCP-CQSZACIVSA-N -1 1 303.720 3.289 20 30 DGEDMM C#C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000812352706 627374070 /nfs/dbraw/zinc/37/40/70/627374070.db2.gz AFHSYNBDWICDIV-INIZCTEOSA-N -1 1 310.740 3.022 20 30 DGEDMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000812416858 627382895 /nfs/dbraw/zinc/38/28/95/627382895.db2.gz BJWJGQFSZRYIOQ-OLZOCXBDSA-N -1 1 302.374 3.094 20 30 DGEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cc(C(F)(F)F)ccn1 ZINC000813216407 627468169 /nfs/dbraw/zinc/46/81/69/627468169.db2.gz QYOSBRPGXFKALS-MVZIDQBPSA-N -1 1 305.259 3.318 20 30 DGEDMM CCCCC1N=NC(=S)N1N=Cc1cccc([O-])c1Cl ZINC000814723369 627586648 /nfs/dbraw/zinc/58/66/48/627586648.db2.gz OINOPGVPIZCHEJ-UHFFFAOYSA-N -1 1 310.810 3.151 20 30 DGEDMM Cn1c2ccccc2nc1NN=Cc1cccc([O-])c1Cl ZINC000814807322 627593455 /nfs/dbraw/zinc/59/34/55/627593455.db2.gz PMKWWXQVCQOILC-UHFFFAOYSA-N -1 1 300.749 3.378 20 30 DGEDMM CC[C@H](NCc1nnc(C2CC2)s1)c1cccc(C#N)c1[O-] ZINC000926596265 627919863 /nfs/dbraw/zinc/91/98/63/627919863.db2.gz SBEAQBXPOMRILD-ZDUSSCGKSA-N -1 1 314.414 3.234 20 30 DGEDMM CC(C)c1ccc([C@H](C)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820191976 628232444 /nfs/dbraw/zinc/23/24/44/628232444.db2.gz CJWJKAWVXKBYNI-LBPRGKRZSA-N -1 1 324.388 3.268 20 30 DGEDMM CC(C)c1ccc([C@H](C)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820191976 628232447 /nfs/dbraw/zinc/23/24/47/628232447.db2.gz CJWJKAWVXKBYNI-LBPRGKRZSA-N -1 1 324.388 3.268 20 30 DGEDMM CC(CC1CCC1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820236074 628238325 /nfs/dbraw/zinc/23/83/25/628238325.db2.gz XCFRRKCSWSZQJL-UHFFFAOYSA-N -1 1 317.397 3.130 20 30 DGEDMM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821049628 628332312 /nfs/dbraw/zinc/33/23/12/628332312.db2.gz LUNNGBYRPCMLDV-LLVKDONJSA-N -1 1 306.439 3.211 20 30 DGEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000821320550 628356417 /nfs/dbraw/zinc/35/64/17/628356417.db2.gz RFTVCASKALCPMR-LBPRGKRZSA-N -1 1 322.345 3.485 20 30 DGEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000821320058 628356421 /nfs/dbraw/zinc/35/64/21/628356421.db2.gz HVXLZUGTCDAIKJ-GFCCVEGCSA-N -1 1 322.345 3.485 20 30 DGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822224891 628430579 /nfs/dbraw/zinc/43/05/79/628430579.db2.gz DXKKPISYIYPKHK-DAXSKMNVSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822225348 628430955 /nfs/dbraw/zinc/43/09/55/628430955.db2.gz ZQCHWCLRMHEBLH-ALCCZGGFSA-N -1 1 310.382 3.441 20 30 DGEDMM CC(=NN[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953807 628612705 /nfs/dbraw/zinc/61/27/05/628612705.db2.gz QZRNTRMRSLFFDZ-SNVBAGLBSA-N -1 1 312.402 3.003 20 30 DGEDMM CC(=NNc1cc(C)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823958103 628613596 /nfs/dbraw/zinc/61/35/96/628613596.db2.gz CBFLNMDXAUMSRY-UHFFFAOYSA-N -1 1 316.365 3.212 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@@H](C)C[C@@H]2C)o1 ZINC000824899414 628703881 /nfs/dbraw/zinc/70/38/81/628703881.db2.gz JMDSXDKODFHAOA-ZJUUUORDSA-N -1 1 317.397 3.202 20 30 DGEDMM CC[C@H]1CCCCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825195258 628737230 /nfs/dbraw/zinc/73/72/30/628737230.db2.gz VRJZBZHIHFHMFH-JTQLQIEISA-N -1 1 317.397 3.346 20 30 DGEDMM C[C@@H](NC(=O)[O-])C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000825289311 628746757 /nfs/dbraw/zinc/74/67/57/628746757.db2.gz XIHQJAOLMIOBTB-CYBMUJFWSA-N -1 1 320.820 3.060 20 30 DGEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(C(=O)[O-])cc1 ZINC000825808918 628800192 /nfs/dbraw/zinc/80/01/92/628800192.db2.gz JLNLJEGNDTYXLF-UHFFFAOYSA-N -1 1 308.341 3.108 20 30 DGEDMM C[C@@H]1c2ccccc2OCCN1[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828526808 629062648 /nfs/dbraw/zinc/06/26/48/629062648.db2.gz DPJZEBRIVJXWRX-FZKQIMNGSA-N -1 1 322.364 3.140 20 30 DGEDMM N#Cc1ccccc1-c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833075128 629555749 /nfs/dbraw/zinc/55/57/49/629555749.db2.gz LZGJNQAXNHJJSB-LJQANCHMSA-N -1 1 324.355 3.224 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cc1 ZINC000833310811 629581861 /nfs/dbraw/zinc/58/18/61/629581861.db2.gz UUJHPAIMJMFOAF-LZCJLJQNSA-N -1 1 304.248 3.265 20 30 DGEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCC1 ZINC000834957820 629812926 /nfs/dbraw/zinc/81/29/26/629812926.db2.gz SGEDFTLSANWULC-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(O[C@H]2CCOC2)cc1 ZINC000849250118 631865329 /nfs/dbraw/zinc/86/53/29/631865329.db2.gz QPVIPPZMHKCVGZ-DWCFMXGVSA-N -1 1 322.360 3.382 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cnnn2Cc2ccccc2)c1 ZINC000792882896 660991278 /nfs/dbraw/zinc/99/12/78/660991278.db2.gz BTTJKFSUJVZKOU-NTMALXAHSA-N -1 1 319.364 3.237 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ncc(CN(C)C)s2)c1 ZINC000794700230 661099834 /nfs/dbraw/zinc/09/98/34/661099834.db2.gz HWVDEARFSVVKKP-VOTSOKGWSA-N -1 1 302.399 3.115 20 30 DGEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1c(F)ccc([O-])c1F ZINC000794503501 661087943 /nfs/dbraw/zinc/08/79/43/661087943.db2.gz YVZGWKMKLBROTJ-UHFFFAOYSA-N -1 1 323.255 3.033 20 30 DGEDMM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1ncccc1F ZINC000794991253 661119648 /nfs/dbraw/zinc/11/96/48/661119648.db2.gz XXFWRHDLLHMOOF-UHFFFAOYSA-N -1 1 324.237 3.008 20 30 DGEDMM [O-]c1c(Br)cccc1C=NNc1cccc(F)n1 ZINC000795008834 661121335 /nfs/dbraw/zinc/12/13/35/661121335.db2.gz OXOKZKPLBSPWIO-UHFFFAOYSA-N -1 1 310.126 3.135 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc3ccccc23)c(=O)o1 ZINC000255299540 655693928 /nfs/dbraw/zinc/69/39/28/655693928.db2.gz LLLNEYXIPWFYMB-MWWKQMNYSA-N -1 1 312.346 3.130 20 30 DGEDMM [O-]c1ccc(C=NNCc2ccccc2)cc1Br ZINC000714419553 661199190 /nfs/dbraw/zinc/19/91/90/661199190.db2.gz CFXLGONOMRBEHQ-UHFFFAOYSA-N -1 1 305.175 3.278 20 30 DGEDMM C[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000026324642 656238585 /nfs/dbraw/zinc/23/85/85/656238585.db2.gz IIOZCLVAEONTJS-UHFFFAOYSA-N -1 1 320.348 3.002 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000128425464 658741869 /nfs/dbraw/zinc/74/18/69/658741869.db2.gz CSCOEBMYWDGROH-LBPRGKRZSA-N -1 1 316.744 3.457 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(OC)c(O)c2)c1 ZINC000156686496 658933705 /nfs/dbraw/zinc/93/37/05/658933705.db2.gz WCRHKSQIQLLGMJ-ZZXKWVIFSA-N -1 1 300.310 3.011 20 30 DGEDMM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cs1 ZINC000171146147 659263715 /nfs/dbraw/zinc/26/37/15/659263715.db2.gz LEBCWQRGJISDHZ-LBPRGKRZSA-N -1 1 313.382 3.228 20 30 DGEDMM C=C(C)C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000182612339 660067569 /nfs/dbraw/zinc/06/75/69/660067569.db2.gz IVLJOALNWBZBBC-UHFFFAOYSA-N -1 1 311.381 3.337 20 30 DGEDMM C=C(C)C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000182612339 660067570 /nfs/dbraw/zinc/06/75/70/660067570.db2.gz IVLJOALNWBZBBC-UHFFFAOYSA-N -1 1 311.381 3.337 20 30 DGEDMM C[C@H](CN1Cc2cccc(C#N)c2C1)C(=O)c1ccc([O-])cc1 ZINC000930866419 661435778 /nfs/dbraw/zinc/43/57/78/661435778.db2.gz KHQRZGLARORCIV-CYBMUJFWSA-N -1 1 306.365 3.098 20 30 DGEDMM Cc1cn2c(/C=C/C(=O)c3cc(O)ccc3[O-])c(C)nc2s1 ZINC000156659455 661864421 /nfs/dbraw/zinc/86/44/21/661864421.db2.gz RLFQTILJPBMMQY-GQCTYLIASA-N -1 1 314.366 3.320 20 30 DGEDMM CCN(C)c1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cn1 ZINC000191289799 662058546 /nfs/dbraw/zinc/05/85/46/662058546.db2.gz KBHMMHXGMSKCPO-GDNBJRDFSA-N -1 1 308.381 3.456 20 30 DGEDMM C=CCCC(C)(C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001588577514 1192450505 /nfs/dbraw/zinc/45/05/05/1192450505.db2.gz JBFJWCMLUDACPI-UHFFFAOYSA-N -1 1 323.404 3.214 20 30 DGEDMM C=CCCC(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001588577514 1192450512 /nfs/dbraw/zinc/45/05/12/1192450512.db2.gz JBFJWCMLUDACPI-UHFFFAOYSA-N -1 1 323.404 3.214 20 30 DGEDMM Cc1cc(C)c(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)c([O-])c1 ZINC001591946086 1192582251 /nfs/dbraw/zinc/58/22/51/1192582251.db2.gz ZOAJOEGJGXXMNZ-SREVYHEPSA-N -1 1 320.352 3.085 20 30 DGEDMM N#Cc1ccc(Cl)cc1OCc1ccc(-c2nn[n-]n2)s1 ZINC001592693509 1192626063 /nfs/dbraw/zinc/62/60/63/1192626063.db2.gz HWSSDZJLKOEICC-UHFFFAOYSA-N -1 1 317.761 3.032 20 30 DGEDMM Cc1cc(CN(CCC#N)CC(C)C)cc(C)c1OCC(=O)[O-] ZINC001600190835 1192801335 /nfs/dbraw/zinc/80/13/35/1192801335.db2.gz QKJJPRCPIWZRFC-UHFFFAOYSA-N -1 1 318.417 3.139 20 30 DGEDMM CC(=O)N1Cc2ccc(N[C@H](C)c3cccc(C#N)c3[O-])cc2C1 ZINC001331972435 1178323818 /nfs/dbraw/zinc/32/38/18/1178323818.db2.gz MIPBIBVWDQIWMU-GFCCVEGCSA-N -1 1 321.380 3.299 20 30 DGEDMM N#Cc1ccc([C@H](NCc2ccc(C3CC3)cc2F)C(=O)[O-])cc1 ZINC001601096903 1192918404 /nfs/dbraw/zinc/91/84/04/1192918404.db2.gz PAQTWIZJLRYIKN-SFHVURJKSA-N -1 1 324.355 3.490 20 30 DGEDMM N#Cc1ccc2[nH]cc(C=NNc3cccc(F)c3C(=O)[O-])c2c1 ZINC001601114147 1192919560 /nfs/dbraw/zinc/91/95/60/1192919560.db2.gz LTMCNFDGZYXQKR-UHFFFAOYSA-N -1 1 322.299 3.323 20 30 DGEDMM C#CC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001545886249 1181775370 /nfs/dbraw/zinc/77/53/70/1181775370.db2.gz VVXHWHXUCKIHRF-MRXNPFEDSA-N -1 1 313.784 3.469 20 30 DGEDMM O=C(c1ncoc1-c1ccon1)N([O-])Cc1ccccc1Cl ZINC001457992540 1182489003 /nfs/dbraw/zinc/48/90/03/1182489003.db2.gz IJPRAKOVOZBSOJ-UHFFFAOYSA-N -1 1 319.704 3.015 20 30 DGEDMM C=CC[C@@H]1CCCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001471432995 1183563768 /nfs/dbraw/zinc/56/37/68/1183563768.db2.gz FIGDRGHTKCETDV-GFCCVEGCSA-N -1 1 324.371 3.211 20 30 DGEDMM Cc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)[nH]c1C(=O)[O-] ZINC001607640508 1193243259 /nfs/dbraw/zinc/24/32/59/1193243259.db2.gz OMZMKOLSNVCQHT-UHFFFAOYSA-N -1 1 309.369 3.058 20 30 DGEDMM Cc1ccc(CN2CCc3ccc(C(=O)[O-])cc3C2)cc1C#N ZINC001607780961 1193256971 /nfs/dbraw/zinc/25/69/71/1193256971.db2.gz GTYUYCSLPQXICR-UHFFFAOYSA-N -1 1 306.365 3.123 20 30 DGEDMM Cc1nsc(NC(=O)NCc2cccc(Cl)c2[O-])c1C#N ZINC001476558492 1184043567 /nfs/dbraw/zinc/04/35/67/1184043567.db2.gz ZJMQXUGHGAVVCY-UHFFFAOYSA-N -1 1 322.777 3.004 20 30 DGEDMM O=C([O-])c1occc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001609006045 1193319527 /nfs/dbraw/zinc/31/95/27/1193319527.db2.gz PPEQQDFVKDZNDT-UHFFFAOYSA-N -1 1 323.270 3.138 20 30 DGEDMM Cc1cccc(C(C)C)c1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC001609430307 1193338753 /nfs/dbraw/zinc/33/87/53/1193338753.db2.gz MUNXGWNXLBUTSU-UHFFFAOYSA-N -1 1 310.361 3.338 20 30 DGEDMM Cc1cccc(C(C)C)c1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC001609430307 1193338757 /nfs/dbraw/zinc/33/87/57/1193338757.db2.gz MUNXGWNXLBUTSU-UHFFFAOYSA-N -1 1 310.361 3.338 20 30 DGEDMM CC[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)[C@H]1CCOC(C)(C)C1 ZINC001610003197 1193371927 /nfs/dbraw/zinc/37/19/27/1193371927.db2.gz VQELCMIFOXJCJN-AWEZNQCLSA-N -1 1 316.401 3.036 20 30 DGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1F ZINC000071140172 1195932283 /nfs/dbraw/zinc/93/22/83/1195932283.db2.gz DEESCLOSQDSOOK-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM O=C(N([O-])Cc1ccc(F)cc1)[C@]1(c2ccccc2)CCCO1 ZINC001611666976 1193439917 /nfs/dbraw/zinc/43/99/17/1193439917.db2.gz JMEVUTAEYKXFCR-GOSISDBHSA-N -1 1 315.344 3.249 20 30 DGEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2ncc(Cl)n2C)cc1C ZINC001520030078 1186911822 /nfs/dbraw/zinc/91/18/22/1186911822.db2.gz UWNQWFNTGRUGQO-CYBMUJFWSA-N -1 1 315.760 3.075 20 30 DGEDMM C=C(C)[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(F)c(F)c1 ZINC001616854151 1193549452 /nfs/dbraw/zinc/54/94/52/1193549452.db2.gz PNRWSGQYELOWJY-OAHLLOKOSA-N -1 1 304.296 3.113 20 30 DGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001543381740 1188330411 /nfs/dbraw/zinc/33/04/11/1188330411.db2.gz LRZBXVAPYOWFRZ-UHFFFAOYSA-N -1 1 315.344 3.368 20 30 DGEDMM N#CCc1ccsc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001543591814 1188347599 /nfs/dbraw/zinc/34/75/99/1188347599.db2.gz RBENOKQAJBLVFL-UHFFFAOYSA-N -1 1 324.365 3.162 20 30 DGEDMM COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC001547463963 1188449766 /nfs/dbraw/zinc/44/97/66/1188449766.db2.gz ACJDETLILXVQSV-QGZVFWFLSA-N -1 1 322.364 3.080 20 30 DGEDMM C=CC[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccncc1 ZINC001617743362 1193579742 /nfs/dbraw/zinc/57/97/42/1193579742.db2.gz DTAIEQJBFAVHJM-MRXNPFEDSA-N -1 1 319.364 3.383 20 30 DGEDMM N#C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC001565587708 1188978129 /nfs/dbraw/zinc/97/81/29/1188978129.db2.gz IGVTZXDWWZGXPN-LBPRGKRZSA-N -1 1 304.708 3.179 20 30 DGEDMM C=C(C[N-]S(=O)(=O)c1c(F)cc(C)cc1F)c1ccccc1 ZINC001561626970 1189452465 /nfs/dbraw/zinc/45/24/65/1189452465.db2.gz PFOPUYZXRUJWQU-UHFFFAOYSA-N -1 1 323.364 3.265 20 30 DGEDMM CSc1ccc([O-])c(C(=O)Nc2cccc(OCC#N)c2)c1 ZINC001624807958 1194015621 /nfs/dbraw/zinc/01/56/21/1194015621.db2.gz HWEXOQCZHIXDSF-UHFFFAOYSA-N -1 1 314.366 3.269 20 30 DGEDMM CC(C)N(CCC#N)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001627170634 1194115197 /nfs/dbraw/zinc/11/51/97/1194115197.db2.gz VNUFUILOSSJXAC-UHFFFAOYSA-N -1 1 300.280 3.175 20 30 DGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001628996513 1194208156 /nfs/dbraw/zinc/20/81/56/1194208156.db2.gz OVEAFIUCBQUKBS-LLVKDONJSA-N -1 1 313.382 3.434 20 30 DGEDMM CSc1ccc(CNC(=O)c2c([O-])cccc2F)cc1C#N ZINC001638253297 1194708962 /nfs/dbraw/zinc/70/89/62/1194708962.db2.gz QYOYLZMAEZKFJP-UHFFFAOYSA-N -1 1 316.357 3.055 20 30 DGEDMM C[C@H](OCc1ccc(F)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001639078366 1194749764 /nfs/dbraw/zinc/74/97/64/1194749764.db2.gz IISXFXRUIKTUIX-LBPRGKRZSA-N -1 1 321.323 3.288 20 30 DGEDMM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001640616908 1194822080 /nfs/dbraw/zinc/82/20/80/1194822080.db2.gz LMDZIEMRSFKTOD-JTQLQIEISA-N -1 1 316.307 3.359 20 30 DGEDMM CC(C)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2N)c([O-])c1 ZINC001641850491 1194874989 /nfs/dbraw/zinc/87/49/89/1194874989.db2.gz SIIFSNGNKFEVHM-UHFFFAOYSA-N -1 1 313.332 3.361 20 30 DGEDMM N#Cc1cccc(C2(C(=O)Nc3cc(F)cc(F)c3[O-])CC2)c1 ZINC001643110295 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COc1cc(Cl)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000844664941 617724329 /nfs/dbraw/zinc/72/43/29/617724329.db2.gz YYDPBIVSVVGBON-UHFFFAOYSA-N -1 1 316.810 3.030 20 30 DGEDMM N#CC1CCC(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000894596426 618399683 /nfs/dbraw/zinc/39/96/83/618399683.db2.gz UFHZMMLTXRGPKK-UHFFFAOYSA-N -1 1 321.808 3.175 20 30 DGEDMM C=C[C@H](CC)CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000909530281 618854746 /nfs/dbraw/zinc/85/47/46/618854746.db2.gz QLVFHKYEBGEQPW-LLVKDONJSA-N -1 1 302.326 3.144 20 30 DGEDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1sccc1C#N ZINC000800149453 619123219 /nfs/dbraw/zinc/12/32/19/619123219.db2.gz RBHILDPRKMGQMX-UHFFFAOYSA-N -1 1 305.290 3.228 20 30 DGEDMM CC(C)(CCC#N)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897769281 619178458 /nfs/dbraw/zinc/17/84/58/619178458.db2.gz BUPKWFOUDVDHFZ-UHFFFAOYSA-N -1 1 312.369 3.311 20 30 DGEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2cccnc2)cc1[O-] ZINC000898418149 619273886 /nfs/dbraw/zinc/27/38/86/619273886.db2.gz 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625377426 /nfs/dbraw/zinc/37/74/26/625377426.db2.gz UKQWIGLWFITJFC-DUXPYHPUSA-N -1 1 307.708 3.484 20 30 DGEDMM O=C(/C=C\c1cccc([O-])c1Cl)c1cn2c(n1)CCCC2 ZINC000905075294 619970752 /nfs/dbraw/zinc/97/07/52/619970752.db2.gz VSBRIOWMOFFLCA-FPLPWBNLSA-N -1 1 302.761 3.475 20 30 DGEDMM N#C[C@]1(C(=O)Nc2cc([O-])c(F)cc2F)CC2CCC1CC2 ZINC000909972355 620264398 /nfs/dbraw/zinc/26/43/98/620264398.db2.gz LCXILLBPXJPXHK-UDUZUONDSA-N -1 1 306.312 3.329 20 30 DGEDMM [O-]c1c(Cl)cccc1CN=Nc1ncnc2sccc21 ZINC000753161291 621429284 /nfs/dbraw/zinc/42/92/84/621429284.db2.gz HDXNDJMGLLOZMM-UHFFFAOYSA-N -1 1 304.762 3.496 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3c2cccc3C(C)C)n1 ZINC000753923065 621471696 /nfs/dbraw/zinc/47/16/96/621471696.db2.gz XBUJHONYZDNMOP-UHFFFAOYSA-N -1 1 312.373 3.213 20 30 DGEDMM [O-]c1c(Br)cc(O)cc1C=NOCc1ccccc1 ZINC000755631628 621582491 /nfs/dbraw/zinc/58/24/91/621582491.db2.gz JJEWEWVTKBIWMB-UHFFFAOYSA-N -1 1 322.158 3.411 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(Cl)cc1 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N#Cc1ccc2[nH]cc(CN=Nc3ccccc3C(=O)[O-])c2c1 ZINC000760241153 621923497 /nfs/dbraw/zinc/92/34/97/621923497.db2.gz JOBMAJBFVMAIDX-UHFFFAOYSA-N -1 1 304.309 3.184 20 30 DGEDMM CCCC[C@@H](CC)CC=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000760249754 621924479 /nfs/dbraw/zinc/92/44/79/621924479.db2.gz RZLVYMBEJNEDBW-LLVKDONJSA-N -1 1 304.398 3.073 20 30 DGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000120697148 621980768 /nfs/dbraw/zinc/98/07/68/621980768.db2.gz WQEDRCOWKNLQSS-DAFODLJHSA-N -1 1 300.285 3.199 20 30 DGEDMM O=S1(=O)[N-]C(=NN=CCCC2CCCCC2)c2ccccc21 ZINC000761780699 622029227 /nfs/dbraw/zinc/02/92/27/622029227.db2.gz COXQAHRWKNTCPA-UHFFFAOYSA-N -1 1 319.430 3.071 20 30 DGEDMM C[C@@H](Nc1ccc(N2CCOCC2)cc1)c1cccc(C#N)c1[O-] ZINC000866316987 622092591 /nfs/dbraw/zinc/09/25/91/622092591.db2.gz XPCKHKBQBLUZGK-CQSZACIVSA-N -1 1 323.396 3.274 20 30 DGEDMM COCCOc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866316574 622092643 /nfs/dbraw/zinc/09/26/43/622092643.db2.gz PQOAVSIEOQTWMA-ZDUSSCGKSA-N 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VNSVIUMSUFBWEB-UHFFFAOYSA-N -1 1 303.189 3.192 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000870689896 622496768 /nfs/dbraw/zinc/49/67/68/622496768.db2.gz CQSMSKJRIMNFQU-ZFWWWQNUSA-N -1 1 306.312 3.184 20 30 DGEDMM CC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCCC1 ZINC000769813363 622563630 /nfs/dbraw/zinc/56/36/30/622563630.db2.gz UVYZIUPGZFVLRJ-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM CC(C)=CCCC(C)=CC=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817613 622564503 /nfs/dbraw/zinc/56/45/03/622564503.db2.gz NLSRKVZJRBOMLN-DZQWHFOVSA-N -1 1 314.393 3.159 20 30 DGEDMM COc1c([O-])c(C=NNc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000772989058 622962084 /nfs/dbraw/zinc/96/20/84/622962084.db2.gz BLONESCXTGCSLO-UHFFFAOYSA-N -1 1 321.720 3.408 20 30 DGEDMM O=C1c2ccccc2CN1N=Cc1c([O-])ccc(Cl)c1F ZINC000790173649 625612772 /nfs/dbraw/zinc/61/27/72/625612772.db2.gz MBTKJTVQWJDCDR-UHFFFAOYSA-N -1 1 304.708 3.175 20 30 DGEDMM N#Cc1ccc(O)c(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000774082310 623105199 /nfs/dbraw/zinc/10/51/99/623105199.db2.gz QBMAMMDUVSQGHU-UHFFFAOYSA-N -1 1 322.242 3.241 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc2c1OCCCO2 ZINC000780187122 623875489 /nfs/dbraw/zinc/87/54/89/623875489.db2.gz APSMJXVEMJWDLK-ZROIWOOFSA-N -1 1 308.333 3.376 20 30 DGEDMM C#CCCCCCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000780256874 623897001 /nfs/dbraw/zinc/89/70/01/623897001.db2.gz NEIVLSLLOCSFPA-UHFFFAOYSA-N -1 1 302.370 3.264 20 30 DGEDMM COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c(O)c1 ZINC000782207855 624219970 /nfs/dbraw/zinc/21/99/70/624219970.db2.gz SZGMNVPQWQNKMK-HYXAFXHYSA-N -1 1 304.323 3.057 20 30 DGEDMM C=CC(C)(C)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000879517106 624575862 /nfs/dbraw/zinc/57/58/62/624575862.db2.gz BYVMWSHXHFANFK-UHFFFAOYSA-N -1 1 320.780 3.372 20 30 DGEDMM C=CC(C)(C)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000879517106 624575865 /nfs/dbraw/zinc/57/58/65/624575865.db2.gz BYVMWSHXHFANFK-UHFFFAOYSA-N -1 1 320.780 3.372 20 30 DGEDMM CC(C)C(=O)Nc1cccc(OC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000785591056 624693152 /nfs/dbraw/zinc/69/31/52/624693152.db2.gz WQLWSEBOOUXWID-UHFFFAOYSA-N -1 1 324.336 3.078 20 30 DGEDMM COc1ccccc1-n1nccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000797404880 626140231 /nfs/dbraw/zinc/14/02/31/626140231.db2.gz JWTUUSDEOQSHHY-DHZHZOJOSA-N -1 1 320.348 3.483 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc(OC)c2F)c1 ZINC000799891656 626334065 /nfs/dbraw/zinc/33/40/65/626334065.db2.gz HYXBSHNGVZEXPP-VURMDHGXSA-N -1 1 302.301 3.445 20 30 DGEDMM Cc1cc(C)c(C(=O)/C=C/c2cnc(N3CCCC3)nc2)c([O-])c1 ZINC000799895697 626334121 /nfs/dbraw/zinc/33/41/21/626334121.db2.gz RQTODCWMUZQPOS-AATRIKPKSA-N -1 1 323.396 3.295 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)cc2F)c(O)c1 ZINC000806559367 626721148 /nfs/dbraw/zinc/72/11/48/626721148.db2.gz ZBWGDQWTCLZMKJ-ZZXKWVIFSA-N -1 1 304.248 3.265 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000809614900 626926241 /nfs/dbraw/zinc/92/62/41/626926241.db2.gz WSWNAAVIGUXBBP-UHFFFAOYSA-N -1 1 307.353 3.116 20 30 DGEDMM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000136340473 627057443 /nfs/dbraw/zinc/05/74/43/627057443.db2.gz WXGZPTOQSGBRBG-JTQLQIEISA-N -1 1 308.403 3.032 20 30 DGEDMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000812416859 627383083 /nfs/dbraw/zinc/38/30/83/627383083.db2.gz BJWJGQFSZRYIOQ-QWHCGFSZSA-N -1 1 302.374 3.094 20 30 DGEDMM C#C[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(C)(C)C ZINC000813775765 627511169 /nfs/dbraw/zinc/51/11/69/627511169.db2.gz LIQJSHOWXUQKFS-ZDUSSCGKSA-N -1 1 309.793 3.222 20 30 DGEDMM CCCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OC)cc1 ZINC000814681461 627583145 /nfs/dbraw/zinc/58/31/45/627583145.db2.gz NHJYDOGDNXWPIM-UHFFFAOYSA-N -1 1 300.362 3.116 20 30 DGEDMM CC(C)[C@H]1CCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000814846393 627597749 /nfs/dbraw/zinc/59/77/49/627597749.db2.gz DXQFDONDKPEPPU-SNVBAGLBSA-N -1 1 316.409 3.121 20 30 DGEDMM O=c1[nH]c(NN=Cc2cccc([O-])c2Cl)nc2ccccc12 ZINC000814868865 627600680 /nfs/dbraw/zinc/60/06/80/627600680.db2.gz LONJUMGMHROQMJ-UHFFFAOYSA-N -1 1 314.732 3.140 20 30 DGEDMM CCCC(=NNc1ccc(C(=O)[O-])cc1OC)c1cccnc1 ZINC000814887667 627603319 /nfs/dbraw/zinc/60/33/19/627603319.db2.gz VXJWREWJIZTBSA-UHFFFAOYSA-N -1 1 313.357 3.405 20 30 DGEDMM N#Cc1cc(Cl)nc(N=NCc2cccc([O-])c2Cl)c1 ZINC000814890905 627603724 /nfs/dbraw/zinc/60/37/24/627603724.db2.gz GEIKQDBPHLRSEJ-UHFFFAOYSA-N -1 1 307.140 3.412 20 30 DGEDMM CC[C@@H](NCc1nnc(C2CC2)s1)c1cccc(C#N)c1[O-] ZINC000926596264 627919767 /nfs/dbraw/zinc/91/97/67/627919767.db2.gz SBEAQBXPOMRILD-CYBMUJFWSA-N -1 1 314.414 3.234 20 30 DGEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)O2 ZINC000822213144 628429699 /nfs/dbraw/zinc/42/96/99/628429699.db2.gz WNIWMHHGQZXKGB-NTUHNPAUSA-N -1 1 324.365 3.161 20 30 DGEDMM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC000822275891 628435433 /nfs/dbraw/zinc/43/54/33/628435433.db2.gz ZHEIUFQWSDRXCU-FLIBITNWSA-N -1 1 308.366 3.059 20 30 DGEDMM C=CCCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000823888581 628607411 /nfs/dbraw/zinc/60/74/11/628607411.db2.gz RBNOHQLMZCJZKZ-UHFFFAOYSA-N -1 1 315.381 3.122 20 30 DGEDMM CC(=NNc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958626 628614216 /nfs/dbraw/zinc/61/42/16/628614216.db2.gz TXVZCVUJWKYUBO-UHFFFAOYSA-N -1 1 320.328 3.043 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)C[C@H](C)C2)o1 ZINC000824858585 628701275 /nfs/dbraw/zinc/70/12/75/628701275.db2.gz KSDCCDGKCODJQY-AOOOYVTPSA-N -1 1 317.397 3.202 20 30 DGEDMM C[C@H](C(=O)[O-])[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000826052912 628823481 /nfs/dbraw/zinc/82/34/81/628823481.db2.gz HEIAXWNPZIQXEV-SJCJKPOMSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000826285449 628838502 /nfs/dbraw/zinc/83/85/02/628838502.db2.gz ADCJXJDPYGNYAZ-AATRIKPKSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000826285449 628838504 /nfs/dbraw/zinc/83/85/04/628838504.db2.gz ADCJXJDPYGNYAZ-AATRIKPKSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826289601 628839788 /nfs/dbraw/zinc/83/97/88/628839788.db2.gz GNBYNFJUENBNHF-HYXAFXHYSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826289601 628839789 /nfs/dbraw/zinc/83/97/89/628839789.db2.gz GNBYNFJUENBNHF-HYXAFXHYSA-N -1 1 314.345 3.272 20 30 DGEDMM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000826294191 628841392 /nfs/dbraw/zinc/84/13/92/628841392.db2.gz LKYYFVNGIJEVEY-XFXZXTDPSA-N -1 1 322.393 3.449 20 30 DGEDMM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400100 628851278 /nfs/dbraw/zinc/85/12/78/628851278.db2.gz PBMNIUVPETYGSF-KBXRYBNXSA-N -1 1 308.366 3.381 20 30 DGEDMM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400100 628851281 /nfs/dbraw/zinc/85/12/81/628851281.db2.gz PBMNIUVPETYGSF-KBXRYBNXSA-N -1 1 308.366 3.381 20 30 DGEDMM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826401383 628851567 /nfs/dbraw/zinc/85/15/67/628851567.db2.gz WXVHCCHMSCFIBK-SNAWJCMRSA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826401383 628851569 /nfs/dbraw/zinc/85/15/69/628851569.db2.gz WXVHCCHMSCFIBK-SNAWJCMRSA-N -1 1 318.308 3.103 20 30 DGEDMM CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccccc1Br ZINC000827627718 628978182 /nfs/dbraw/zinc/97/81/82/628978182.db2.gz ZRJUBORUPBOYFO-JTQLQIEISA-N -1 1 317.133 3.175 20 30 DGEDMM C=CCC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000834821589 629784676 /nfs/dbraw/zinc/78/46/76/629784676.db2.gz CLXRNYMWIGJWJZ-UHFFFAOYSA-N -1 1 309.793 3.035 20 30 DGEDMM CC[C@H](C)CC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000834957373 629812186 /nfs/dbraw/zinc/81/21/86/629812186.db2.gz IUOQMDSIRVMZTP-JTQLQIEISA-N -1 1 304.398 3.121 20 30 DGEDMM CC(=NNc1ccc(C(=O)[O-])cc1F)c1coc(C(C)C)n1 ZINC000835009518 629821593 /nfs/dbraw/zinc/82/15/93/629821593.db2.gz XXLDGQVNRRBTSP-UHFFFAOYSA-N -1 1 305.309 3.471 20 30 DGEDMM C=CCO[N-]C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 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DGEDMM N#Cc1cnc2c(c1)CC/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794950324 661115926 /nfs/dbraw/zinc/11/59/26/661115926.db2.gz TXCHCINWFGQROE-IZZDOVSWSA-N -1 1 312.275 3.150 20 30 DGEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1OC ZINC000255080736 655595095 /nfs/dbraw/zinc/59/50/95/655595095.db2.gz GKOQVHBZLGXBBY-UTCJRWHESA-N -1 1 302.301 3.445 20 30 DGEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036682859 661196353 /nfs/dbraw/zinc/19/63/53/661196353.db2.gz PZWSADFFFOEYTD-UHFFFAOYSA-N -1 1 322.773 3.043 20 30 DGEDMM COCCOc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000255833100 655908851 /nfs/dbraw/zinc/90/88/51/655908851.db2.gz SXTXOIPPHFXZLY-YWEYNIOJSA-N -1 1 314.337 3.019 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3)o2)c(=O)o1 ZINC000125782757 656446677 /nfs/dbraw/zinc/44/66/77/656446677.db2.gz PWFDGCJNMBFLGG-KOEDOTQGSA-N -1 1 322.316 3.175 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3)o2)c(=O)o1 ZINC000125782966 656448838 /nfs/dbraw/zinc/44/88/38/656448838.db2.gz 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DGEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131019 1082584059 /nfs/dbraw/zinc/58/40/59/1082584059.db2.gz MNHRBVOJTRIJPJ-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM CCN(C)c1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cn1 ZINC000588578493 1082728922 /nfs/dbraw/zinc/72/89/22/1082728922.db2.gz KBHMMHXGMSKCPO-XNTDXEJSSA-N -1 1 308.381 3.456 20 30 DGEDMM COc1ccc2c(c1OC)O/C(=C/c1ccc([O-])c(F)c1)C2=O ZINC000588618375 1082864785 /nfs/dbraw/zinc/86/47/85/1082864785.db2.gz PPDMBXVQEBZAGO-RIYZIHGNSA-N -1 1 316.284 3.165 20 30 DGEDMM CCCCCCCC[C@H](CO)NC(=O)c1c([O-])cccc1F ZINC001159099098 1083256248 /nfs/dbraw/zinc/25/62/48/1083256248.db2.gz RLSASPBJPYKOMY-CYBMUJFWSA-N -1 1 311.397 3.373 20 30 DGEDMM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625896249 1083356932 /nfs/dbraw/zinc/35/69/32/1083356932.db2.gz JLENSTZNYYFZPY-UHFFFAOYSA-N -1 1 313.263 3.276 20 30 DGEDMM N#CCc1cccc(NCc2ncc(Br)cc2[O-])c1 ZINC001181829451 1083551525 /nfs/dbraw/zinc/55/15/25/1083551525.db2.gz 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C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CC(=O)OCC ZINC001227120183 1096873116 /nfs/dbraw/zinc/87/31/16/1096873116.db2.gz HDGHXZIZNHCCDF-LLVKDONJSA-N -1 1 306.358 3.044 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1CN(C(C)(C)C)C1 ZINC001227120308 1096873224 /nfs/dbraw/zinc/87/32/24/1096873224.db2.gz JPNGPKGZHDXFRG-UHFFFAOYSA-N -1 1 303.402 3.185 20 30 DGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001227120803 1096873609 /nfs/dbraw/zinc/87/36/09/1096873609.db2.gz UOZBNMVKTNYKMH-OLZOCXBDSA-N -1 1 318.369 3.044 20 30 DGEDMM N#Cc1c([O-])ccc(O[C@H]2CCCN(c3ccccc3)C2)c1C#N ZINC001227617722 1096961983 /nfs/dbraw/zinc/96/19/83/1096961983.db2.gz HPNFMBGFUGEDEU-HNNXBMFYSA-N -1 1 319.364 3.183 20 30 DGEDMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228005238 1097030134 /nfs/dbraw/zinc/03/01/34/1097030134.db2.gz JNCAIHJWXCEFEN-MQMHXKEQSA-N -1 1 318.373 3.041 20 30 DGEDMM C[C@@H]1C[C@@H](Oc2cc([O-])ccc2C#N)CN1C(=O)OC(C)(C)C ZINC001228004346 1097030710 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CC(=O)c1cc(O)c([O-])cc1O[C@H](C#N)c1ccccc1F ZINC001234476466 1098564844 /nfs/dbraw/zinc/56/48/44/1098564844.db2.gz MMSWUXTZQSZPGB-MRXNPFEDSA-N -1 1 301.273 3.083 20 30 DGEDMM C#C[C@@H](CC)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234740762 1098658495 /nfs/dbraw/zinc/65/84/95/1098658495.db2.gz AUAMXXAEYHTGQC-NSHDSACASA-N -1 1 310.305 3.148 20 30 DGEDMM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234819838 1098670988 /nfs/dbraw/zinc/67/09/88/1098670988.db2.gz PLHWIKGYGKWQDG-AWEZNQCLSA-N -1 1 318.373 3.049 20 30 DGEDMM Cc1ccc(N2CCC[C@@H](Oc3ccccc3C=N[O-])C2)nc1 ZINC001234819734 1098671175 /nfs/dbraw/zinc/67/11/75/1098671175.db2.gz OMOSSXCINJINJA-MRXNPFEDSA-N -1 1 311.385 3.246 20 30 DGEDMM C=C[C@H](CC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877094 1098694722 /nfs/dbraw/zinc/69/47/22/1098694722.db2.gz KWNHIJMXIBETQV-MRVPVSSYSA-N -1 1 302.124 3.406 20 30 DGEDMM CCCCCCCNC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001191111846 1100402053 /nfs/dbraw/zinc/40/20/53/1100402053.db2.gz 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300.383 3.284 20 30 DGEDMM N#Cc1ccc(C(=O)NCc2cc3ccccc3s2)cc1[O-] ZINC000352454323 268036552 /nfs/dbraw/zinc/03/65/52/268036552.db2.gz ABPXIXQDSGMFKZ-UHFFFAOYSA-N -1 1 308.362 3.409 20 30 DGEDMM N#Cc1cnc(C(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC000357354725 268309891 /nfs/dbraw/zinc/30/98/91/268309891.db2.gz JQDQSZRJPZRPJF-UHFFFAOYSA-N -1 1 308.124 3.218 20 30 DGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000007056091 431329399 /nfs/dbraw/zinc/32/93/99/431329399.db2.gz YBBHPXOGWBXAHW-UHFFFAOYSA-N -1 1 310.737 3.152 20 30 DGEDMM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000077687711 431616815 /nfs/dbraw/zinc/61/68/15/431616815.db2.gz MZEWWMRUWXGDDU-UHFFFAOYSA-N -1 1 322.773 3.021 20 30 DGEDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000077688229 431617187 /nfs/dbraw/zinc/61/71/87/431617187.db2.gz VQJAWGJLQOBHAS-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000089495655 431868161 /nfs/dbraw/zinc/86/81/61/431868161.db2.gz RUDUZRJLOLBIST-UHFFFAOYSA-N -1 1 316.373 3.106 20 30 DGEDMM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000046439661 431897646 /nfs/dbraw/zinc/89/76/46/431897646.db2.gz FYYZGONHZBXUMR-NSHDSACASA-N -1 1 301.689 3.133 20 30 DGEDMM CC(=Cc1ccc(Cl)c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613515 432484579 /nfs/dbraw/zinc/48/45/79/432484579.db2.gz LOVLOXIEZOYAQE-YVMONPNESA-N -1 1 303.724 3.303 20 30 DGEDMM N#Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1[O-] ZINC000188258691 432713943 /nfs/dbraw/zinc/71/39/43/432713943.db2.gz ADBSVEZUHBTFOM-UHFFFAOYSA-N -1 1 322.320 3.292 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1[O-] ZINC000188249878 432715071 /nfs/dbraw/zinc/71/50/71/432715071.db2.gz HIULCZIQRZKTCV-UHFFFAOYSA-N -1 1 306.365 3.284 20 30 DGEDMM CCCN(CCc1cccs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189216451 432770571 /nfs/dbraw/zinc/77/05/71/432770571.db2.gz JEENPELQXCHOMV-UHFFFAOYSA-N -1 1 314.410 3.420 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1[O-] ZINC000188462749 432727299 /nfs/dbraw/zinc/72/72/99/432727299.db2.gz MYJWLLKYOUSAAT-MAUKXSAKSA-N -1 1 320.392 3.405 20 30 DGEDMM N#Cc1ccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)cc1[O-] ZINC000188488944 432729409 /nfs/dbraw/zinc/72/94/09/432729409.db2.gz SYAPPZRZORSJEU-UHFFFAOYSA-N -1 1 322.364 3.022 20 30 DGEDMM CC[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1cccc(C)c1 ZINC000188615763 432735060 /nfs/dbraw/zinc/73/50/60/432735060.db2.gz DIQBIRDDUXOUHL-MRXNPFEDSA-N -1 1 324.380 3.160 20 30 DGEDMM C#CCO[C@H](C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000296964146 432943805 /nfs/dbraw/zinc/94/38/05/432943805.db2.gz RHHWGGWAWJAXQB-SECBINFHSA-N -1 1 322.748 3.205 20 30 DGEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2-c2ccccc2)n1 ZINC000361647805 433315382 /nfs/dbraw/zinc/31/53/82/433315382.db2.gz LTDOAIKSRMRASY-ZDUSSCGKSA-N -1 1 308.366 3.127 20 30 DGEDMM COCc1nocc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000425609909 433320829 /nfs/dbraw/zinc/32/08/29/433320829.db2.gz QNGDQONLGMOKLV-UHFFFAOYSA-N -1 1 319.386 3.304 20 30 DGEDMM N#Cc1ccsc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448098985 433362155 /nfs/dbraw/zinc/36/21/55/433362155.db2.gz YTYXCSQOKSOKEX-UHFFFAOYSA-N -1 1 320.333 3.399 20 30 DGEDMM C=CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)c1 ZINC000426768586 433593885 /nfs/dbraw/zinc/59/38/85/433593885.db2.gz AIOCPIIIXIEROW-MRXNPFEDSA-N -1 1 315.369 3.458 20 30 DGEDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427136968 433661889 /nfs/dbraw/zinc/66/18/89/433661889.db2.gz NNZLTANBTJZCJI-UHFFFAOYSA-N -1 1 324.764 3.460 20 30 DGEDMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000436476630 433973834 /nfs/dbraw/zinc/97/38/34/433973834.db2.gz JPVUFNRASYHTJA-UHFFFAOYSA-N -1 1 302.330 3.141 20 30 DGEDMM O=C(NCC#Cc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000436759048 434098650 /nfs/dbraw/zinc/09/86/50/434098650.db2.gz QTLRZZAWFZXRIF-UHFFFAOYSA-N -1 1 301.345 3.327 20 30 DGEDMM CCCc1cc(=O)[n-]c(SCCOc2ccccc2C#N)n1 ZINC000314212771 434142451 /nfs/dbraw/zinc/14/24/51/434142451.db2.gz KXNRGUGUBZQNDI-UHFFFAOYSA-N -1 1 315.398 3.177 20 30 DGEDMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cccc(C#N)n2)cc1 ZINC000417578374 434450334 /nfs/dbraw/zinc/45/03/34/434450334.db2.gz YHCRAAAQRRRQLG-SFHVURJKSA-N -1 1 323.396 3.382 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1[O-] ZINC000348880488 434540783 /nfs/dbraw/zinc/54/07/83/434540783.db2.gz NWIDVKFPOVKETL-QGZVFWFLSA-N -1 1 306.365 3.284 20 30 DGEDMM Cc1cc(C#N)cnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000561288474 435210174 /nfs/dbraw/zinc/21/01/74/435210174.db2.gz NMAKRHZKTVQQOE-UHFFFAOYSA-N -1 1 312.716 3.338 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[O-] ZINC000584175339 435281947 /nfs/dbraw/zinc/28/19/47/435281947.db2.gz UEGHIUPAMVSMNA-NWDGAFQWSA-N -1 1 312.291 3.115 20 30 DGEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(F)cc1 ZINC000491535438 435769937 /nfs/dbraw/zinc/76/99/37/435769937.db2.gz BTXKJKGLWADICN-AWEZNQCLSA-N -1 1 318.298 3.112 20 30 DGEDMM C=C1CCN([C@@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000659786963 436524739 /nfs/dbraw/zinc/52/47/39/436524739.db2.gz WYVZTHWRAUTZEU-CYBMUJFWSA-N -1 1 310.191 3.227 20 30 DGEDMM N#Cc1ccc(C(=O)N2CCSC23CCCCC3)cc1[O-] ZINC000581438808 324118237 /nfs/dbraw/zinc/11/82/37/324118237.db2.gz BKJCRJUKJPXELH-UHFFFAOYSA-N -1 1 302.399 3.113 20 30 DGEDMM CCCn1ccc2ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc21 ZINC000416965861 334687805 /nfs/dbraw/zinc/68/78/05/334687805.db2.gz YBNDGLANIAOLPT-AWEZNQCLSA-N -1 1 305.403 3.095 20 30 DGEDMM N#CCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000583501502 335624832 /nfs/dbraw/zinc/62/48/32/335624832.db2.gz JYQLNTZZPNYSDS-UHFFFAOYSA-N -1 1 317.570 3.440 20 30 DGEDMM CCOc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000584597557 337374446 /nfs/dbraw/zinc/37/44/46/337374446.db2.gz APHMCVNQDSBSEF-WEVVVXLNSA-N -1 1 312.321 3.385 20 30 DGEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193360852 340576722 /nfs/dbraw/zinc/57/67/22/340576722.db2.gz BLMPZWORRUFRAV-UHFFFAOYSA-N -1 1 300.383 3.116 20 30 DGEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000540483388 340932980 /nfs/dbraw/zinc/93/29/80/340932980.db2.gz NAAADUISEPVEOX-VIFPVBQESA-N -1 1 307.337 3.127 20 30 DGEDMM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000547496657 341217729 /nfs/dbraw/zinc/21/77/29/341217729.db2.gz QWDVYKQXRNMDEB-LRDDRELGSA-N -1 1 318.398 3.184 20 30 DGEDMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)N1CCCC[C@H]1C ZINC000331235466 534280927 /nfs/dbraw/zinc/28/09/27/534280927.db2.gz LMABFSUDXGZTQK-MNOVXSKESA-N -1 1 324.808 3.140 20 30 DGEDMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000331235467 534281009 /nfs/dbraw/zinc/28/10/09/534281009.db2.gz LMABFSUDXGZTQK-QWRGUYRKSA-N -1 1 324.808 3.140 20 30 DGEDMM Cn1c2ccccc2c(Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000354474942 534711954 /nfs/dbraw/zinc/71/19/54/534711954.db2.gz XJUNTRJYGAVHKA-NSHDSACASA-N -1 1 310.744 3.112 20 30 DGEDMM N#Cc1ccc(F)c(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436583803 534786171 /nfs/dbraw/zinc/78/61/71/534786171.db2.gz KJGZRBQBNJBQPT-UHFFFAOYSA-N -1 1 320.323 3.486 20 30 DGEDMM CC(C)N(Cc1ccccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442941661 528952166 /nfs/dbraw/zinc/95/21/66/528952166.db2.gz IZMRPIBAXRXHLA-UHFFFAOYSA-N -1 1 312.344 3.454 20 30 DGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000360181029 529271088 /nfs/dbraw/zinc/27/10/88/529271088.db2.gz AVSNURQQWXDCHO-HNNXBMFYSA-N -1 1 308.403 3.052 20 30 DGEDMM C=C[C@H](CCC(=O)[O-])NCc1c(Cl)cccc1OC(F)F ZINC000669477905 547645485 /nfs/dbraw/zinc/64/54/85/547645485.db2.gz KFQRHTQMWXTICD-SECBINFHSA-N -1 1 319.735 3.450 20 30 DGEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000736661347 574762361 /nfs/dbraw/zinc/76/23/61/574762361.db2.gz FJXVMNUCMIIEEL-MGPLVRAMSA-N -1 1 316.307 3.313 20 30 DGEDMM COc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738118490 574859209 /nfs/dbraw/zinc/85/92/09/574859209.db2.gz CDENLNKJRUYWOA-PXAZEXFGSA-N -1 1 310.353 3.043 20 30 DGEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000739074414 574890835 /nfs/dbraw/zinc/89/08/35/574890835.db2.gz IZCJSIZZERZTHR-GFCCVEGCSA-N -1 1 321.292 3.408 20 30 DGEDMM CC(=NOCc1cccnc1)c1ccc(Br)cc1[O-] ZINC000746587958 575288352 /nfs/dbraw/zinc/28/83/52/575288352.db2.gz UPMOTPOVIPXAGG-UHFFFAOYSA-N -1 1 321.174 3.491 20 30 DGEDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C#N)cc2C)c1 ZINC000748402157 575584693 /nfs/dbraw/zinc/58/46/93/575584693.db2.gz FQRKQXLNBOHTKH-UHFFFAOYSA-N -1 1 323.348 3.174 20 30 DGEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000750937884 575763048 /nfs/dbraw/zinc/76/30/48/575763048.db2.gz RZWQDRDLPAAJCL-UHFFFAOYSA-N -1 1 319.430 3.071 20 30 DGEDMM C[C@@H](C#N)Oc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000727684550 576139175 /nfs/dbraw/zinc/13/91/75/576139175.db2.gz ZUZRFTFLKMQUAD-LBPRGKRZSA-N -1 1 309.325 3.122 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc3c1OCCO3)O2 ZINC000917517831 620672306 /nfs/dbraw/zinc/67/23/06/620672306.db2.gz LOFMIDMVKBVHKC-OVCLIPMQSA-N -1 1 310.305 3.088 20 30 DGEDMM O=C(/C=C/c1cnn(CC2CCC2)c1)c1cc([O-])cc(F)c1 ZINC000899413281 619338963 /nfs/dbraw/zinc/33/89/63/619338963.db2.gz NZGJZUJVDWIHED-SNAWJCMRSA-N -1 1 300.333 3.424 20 30 DGEDMM CSC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000899468608 619344430 /nfs/dbraw/zinc/34/44/30/619344430.db2.gz CLJZUDIOSLLKGH-UHFFFAOYSA-N -1 1 304.415 3.060 20 30 DGEDMM C=CCN(CC1CCCCC1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900673190 619444768 /nfs/dbraw/zinc/44/47/68/619444768.db2.gz CCHHAFSVMVPLNK-UHFFFAOYSA-N -1 1 315.417 3.268 20 30 DGEDMM C[C@@H]1CCC[C@](C#N)([N-]C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC000900736004 619448258 /nfs/dbraw/zinc/44/82/58/619448258.db2.gz HUAATIFBOFIQSL-WBMJQRKESA-N -1 1 317.339 3.239 20 30 DGEDMM CO[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000901371850 619490766 /nfs/dbraw/zinc/49/07/66/619490766.db2.gz JFNOJIUJXVEUMZ-OAHLLOKOSA-N -1 1 307.296 3.070 20 30 DGEDMM COc1ccc(O[C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375519 619492052 /nfs/dbraw/zinc/49/20/52/619492052.db2.gz JNRRBJGOPZZQRK-LBPRGKRZSA-N -1 1 319.332 3.020 20 30 DGEDMM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)on1 ZINC000901380314 619492722 /nfs/dbraw/zinc/49/27/22/619492722.db2.gz SYEVXJAEYRIWMC-UHFFFAOYSA-N -1 1 301.129 3.321 20 30 DGEDMM C=CCOc1ccc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901913124 619563651 /nfs/dbraw/zinc/56/36/51/619563651.db2.gz AUDVCFLSIIPZHC-SFHVURJKSA-N -1 1 319.376 3.030 20 30 DGEDMM C=C[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000907805668 620173563 /nfs/dbraw/zinc/17/35/63/620173563.db2.gz AXHLCOJEIKTVEX-LLVKDONJSA-N -1 1 300.333 3.260 20 30 DGEDMM N#C[C@@]1(C(=O)Nc2cc([O-])c(F)cc2F)CC2CCC1CC2 ZINC000909972354 620264405 /nfs/dbraw/zinc/26/44/05/620264405.db2.gz LCXILLBPXJPXHK-HWYSMQLTSA-N -1 1 306.312 3.329 20 30 DGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OC(C)C)cc1 ZINC000916241569 620622374 /nfs/dbraw/zinc/62/23/74/620622374.db2.gz LIIXKRPNRPROJG-UHFFFAOYSA-N -1 1 300.362 3.114 20 30 DGEDMM CCCCC1N=NC(=S)N1N=Cc1ccc([O-])c(Cl)c1 ZINC000921253367 620845203 /nfs/dbraw/zinc/84/52/03/620845203.db2.gz MLRYZBPQGUITLS-UHFFFAOYSA-N -1 1 310.810 3.151 20 30 DGEDMM N#Cc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)ccc1C1CC1 ZINC000921830320 620957717 /nfs/dbraw/zinc/95/77/17/620957717.db2.gz LJXKJCGKHDAVQY-UHFFFAOYSA-N -1 1 320.352 3.061 20 30 DGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])ccc1F ZINC000752874938 621413706 /nfs/dbraw/zinc/41/37/06/621413706.db2.gz NHYZLRVMWXJCGQ-KTAJNNJTSA-N -1 1 305.236 3.475 20 30 DGEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(F)c2)nnn1-c1ccccc1 ZINC000755589525 621579441 /nfs/dbraw/zinc/57/94/41/621579441.db2.gz VDIPIBLQNVOQAH-NTMALXAHSA-N -1 1 323.327 3.317 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cc(F)cc(F)c2)c1 ZINC000755599829 621579947 /nfs/dbraw/zinc/57/99/47/621579947.db2.gz VIINLYJPVOZWBI-HNQUOIGGSA-N -1 1 304.248 3.265 20 30 DGEDMM Cc1ncoc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000755604749 621580797 /nfs/dbraw/zinc/58/07/97/621580797.db2.gz SOIRJRFTVGOSGK-CQSZACIVSA-N -1 1 319.320 3.097 20 30 DGEDMM CCC[C@@H](C)CCCC(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000863094472 621638460 /nfs/dbraw/zinc/63/84/60/621638460.db2.gz KBISONJVURVEFW-LLVKDONJSA-N -1 1 318.425 3.463 20 30 DGEDMM Cn1c(=O)oc2cc(/C=C3/CCc4cc([O-])ccc4C3=O)ccc21 ZINC000756634596 621654481 /nfs/dbraw/zinc/65/44/81/621654481.db2.gz ZZOLPUZETMCEBI-JYRVWZFOSA-N -1 1 321.332 3.050 20 30 DGEDMM COc1ccc(C)cc1C=NNc1ccc(C(=O)[O-])cc1OC ZINC000756898843 621670849 /nfs/dbraw/zinc/67/08/49/621670849.db2.gz DIWIMBVUGZAXEE-UHFFFAOYSA-N -1 1 314.341 3.156 20 30 DGEDMM CCc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)s1 ZINC000756901657 621671497 /nfs/dbraw/zinc/67/14/97/621671497.db2.gz VAMORVYYUBHYFA-UHFFFAOYSA-N -1 1 304.371 3.463 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(O)cc1F ZINC000756900887 621671646 /nfs/dbraw/zinc/67/16/46/621671646.db2.gz DJXDQDONFIHCNZ-UHFFFAOYSA-N -1 1 318.304 3.074 20 30 DGEDMM CC(=NNCc1ccc(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000757461360 621713447 /nfs/dbraw/zinc/71/34/47/621713447.db2.gz LRRZDMCGCXAWHX-UHFFFAOYSA-N -1 1 312.266 3.462 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccccc2-n2cncn2)c1 ZINC000757467492 621713810 /nfs/dbraw/zinc/71/38/10/621713810.db2.gz DYQPUFUVZGTNCJ-CLFYSBASSA-N -1 1 305.337 3.177 20 30 DGEDMM O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cc(O)ccc1[O-] ZINC000757467405 621713845 /nfs/dbraw/zinc/71/38/45/621713845.db2.gz FILQCUOLFOHWPM-SOFGYWHQSA-N -1 1 318.332 3.451 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)c1 ZINC000757476356 621715760 /nfs/dbraw/zinc/71/57/60/621715760.db2.gz QEUHIODESAGCBZ-QPJJXVBHSA-N -1 1 323.327 3.317 20 30 DGEDMM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccccc2O)c1 ZINC000757476646 621715915 /nfs/dbraw/zinc/71/59/15/621715915.db2.gz YANDRSDQINFHRF-CMDGGOBGSA-N -1 1 312.321 3.142 20 30 DGEDMM O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090302 621823811 /nfs/dbraw/zinc/82/38/11/621823811.db2.gz JZNYNJUVSPVWAN-IWQZZHSRSA-N -1 1 321.235 3.180 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(Cl)c2Cl)n1 ZINC000761724230 622026194 /nfs/dbraw/zinc/02/61/94/622026194.db2.gz QXMSHDQBQFMOGS-UHFFFAOYSA-N -1 1 303.174 3.305 20 30 DGEDMM C[C@H](Nc1ccc(N2CCOCC2)cc1)c1cccc(C#N)c1[O-] ZINC000866316985 622092336 /nfs/dbraw/zinc/09/23/36/622092336.db2.gz XPCKHKBQBLUZGK-AWEZNQCLSA-N -1 1 323.396 3.274 20 30 DGEDMM Cc1cc(N[C@@H](C)c2cccc(C#N)c2[O-])cc(OCCO)c1 ZINC000866349812 622100348 /nfs/dbraw/zinc/10/03/48/622100348.db2.gz OVSPNUWWYAAHGO-ZDUSSCGKSA-N -1 1 312.369 3.117 20 30 DGEDMM C#CCCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765727721 622284481 /nfs/dbraw/zinc/28/44/81/622284481.db2.gz OBWGDYYGFGJBHA-UHFFFAOYSA-N -1 1 324.218 3.355 20 30 DGEDMM COC(=O)c1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1 ZINC000767765229 622420756 /nfs/dbraw/zinc/42/07/56/622420756.db2.gz XYDNCONIJMVCRG-UHFFFAOYSA-N -1 1 312.325 3.008 20 30 DGEDMM CCn1nc(/C=C/C(=O)c2cc(O)ccc2[O-])c2ccccc21 ZINC000769746103 622556083 /nfs/dbraw/zinc/55/60/83/622556083.db2.gz DCJQLHOOGMIGBO-CSKARUKUSA-N -1 1 308.337 3.364 20 30 DGEDMM Cn1cc(/C=C\C(=O)c2cccc([O-])c2F)c(C(C)(C)C)n1 ZINC000871672647 622663747 /nfs/dbraw/zinc/66/37/47/622663747.db2.gz TVPLSDGAHADEDI-HJWRWDBZSA-N -1 1 302.349 3.458 20 30 DGEDMM N#CCc1ccccc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000771213919 622727918 /nfs/dbraw/zinc/72/79/18/622727918.db2.gz YXNWDECMOTVOQN-UHFFFAOYSA-N -1 1 309.300 3.238 20 30 DGEDMM CC1(C)CCC(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)CC1 ZINC000872395616 622903827 /nfs/dbraw/zinc/90/38/27/622903827.db2.gz VFXKXERUJFMSPE-UHFFFAOYSA-N -1 1 312.417 3.258 20 30 DGEDMM C#C[C@H]1CC[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000872780392 622977770 /nfs/dbraw/zinc/97/77/70/622977770.db2.gz IMCGOFBVGYFAAZ-KOMQPUFPSA-N -1 1 322.412 3.465 20 30 DGEDMM C#C[C@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000873299871 623108401 /nfs/dbraw/zinc/10/84/01/623108401.db2.gz XEQNLBKJCYYLQA-AULYBMBSSA-N -1 1 306.793 3.037 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(OC)cccc2OC)c1 ZINC000776189766 623393713 /nfs/dbraw/zinc/39/37/13/623393713.db2.gz KNRJOISIZMPNHC-CSKARUKUSA-N -1 1 314.337 3.314 20 30 DGEDMM COC(=O)c1ccccc1N=NC(C)c1ccc(C(=O)[O-])cc1 ZINC000776189703 623394046 /nfs/dbraw/zinc/39/40/46/623394046.db2.gz PEHIZCMKKCYMMS-UHFFFAOYSA-N -1 1 312.325 3.008 20 30 DGEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1N1CCCC1 ZINC000874943977 623398446 /nfs/dbraw/zinc/39/84/46/623398446.db2.gz QDDHMFWRYBRYCG-UHFFFAOYSA-N -1 1 321.380 3.425 20 30 DGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780366043 623917597 /nfs/dbraw/zinc/91/75/97/623917597.db2.gz RNOQBVORVABCLE-UHFFFAOYSA-N -1 1 308.309 3.297 20 30 DGEDMM C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc([O-])c1Cl ZINC000877849561 624068236 /nfs/dbraw/zinc/06/82/36/624068236.db2.gz JTSIDKGQCOLLOZ-MRXNPFEDSA-N -1 1 312.756 3.245 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2scnc2C2CC2)c1 ZINC000782348866 624242586 /nfs/dbraw/zinc/24/25/86/624242586.db2.gz VCQFMOBPJXPONW-WAYWQWQTSA-N -1 1 315.350 3.320 20 30 DGEDMM N#Cc1ccsc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000128041664 624705876 /nfs/dbraw/zinc/70/58/76/624705876.db2.gz IRGQONISXDHMSC-UHFFFAOYSA-N -1 1 309.253 3.058 20 30 DGEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)c1ccc2[nH]ccc2c1 ZINC000788551580 625215096 /nfs/dbraw/zinc/21/50/96/625215096.db2.gz QZALZPPPGFPBJH-UHFFFAOYSA-N -1 1 305.337 3.412 20 30 DGEDMM N#CCCCCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801374675 626402247 /nfs/dbraw/zinc/40/22/47/626402247.db2.gz QCTONVIXMAFPAA-UHFFFAOYSA-N -1 1 319.748 3.082 20 30 DGEDMM C#C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1F ZINC000804418817 626677906 /nfs/dbraw/zinc/67/79/06/626677906.db2.gz XCVVIGHZOYAZGW-OAHLLOKOSA-N -1 1 321.710 3.428 20 30 DGEDMM O=C([O-])c1ccc(C(=O)/C=C/c2scnc2C2CC2)c(O)c1 ZINC000806560786 626721015 /nfs/dbraw/zinc/72/10/15/626721015.db2.gz ONIBAFSYSIFWAU-AATRIKPKSA-N -1 1 315.350 3.320 20 30 DGEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(C)(C)C ZINC000807879965 626774644 /nfs/dbraw/zinc/77/46/44/626774644.db2.gz OKJGJQVYEGKAHC-NSHDSACASA-N -1 1 301.283 3.221 20 30 DGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C2CC2)cc1 ZINC000808979975 626873222 /nfs/dbraw/zinc/87/32/22/626873222.db2.gz QEAGHUOTJKVRMK-CQSZACIVSA-N -1 1 323.352 3.076 20 30 DGEDMM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1nc(C#N)cs1 ZINC000811687527 627305586 /nfs/dbraw/zinc/30/55/86/627305586.db2.gz GRGWFIIPGCRXLB-FGROQZRYSA-N -1 1 300.314 3.243 20 30 DGEDMM CC(=NOCCOC(C)C)c1ccc(Br)cc1[O-] ZINC000812238638 627363326 /nfs/dbraw/zinc/36/33/26/627363326.db2.gz BINNCZGSCARTEG-UHFFFAOYSA-N -1 1 316.195 3.320 20 30 DGEDMM C#C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000812351947 627373856 /nfs/dbraw/zinc/37/38/56/627373856.db2.gz WYRAMWCECMIJHR-OAHLLOKOSA-N -1 1 310.740 3.022 20 30 DGEDMM C#C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000812351942 627374128 /nfs/dbraw/zinc/37/41/28/627374128.db2.gz WYRAMWCECMIJHR-HNNXBMFYSA-N -1 1 310.740 3.022 20 30 DGEDMM Cn1nccc1-c1ccccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000814187763 627548597 /nfs/dbraw/zinc/54/85/97/627548597.db2.gz RNHDIOQBWMPIAR-ZDLGFXPLSA-N -1 1 318.332 3.409 20 30 DGEDMM O=C([O-])c1cccc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000814809958 627593904 /nfs/dbraw/zinc/59/39/04/627593904.db2.gz SWYCPELFUVNVKI-UHFFFAOYSA-N -1 1 319.704 3.392 20 30 DGEDMM COC(=O)c1cccc(NN=Cc2cccc([O-])c2Cl)c1 ZINC000814900983 627604669 /nfs/dbraw/zinc/60/46/69/627604669.db2.gz QYMLUHUBWQYISK-UHFFFAOYSA-N -1 1 304.733 3.278 20 30 DGEDMM O=C([O-])COc1ccc(CN=Nc2ccc(F)c(F)c2F)cc1 ZINC000814945378 627612215 /nfs/dbraw/zinc/61/22/15/627612215.db2.gz WPIZEXGCRXICSE-UHFFFAOYSA-N -1 1 324.258 3.013 20 30 DGEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928404823 628149053 /nfs/dbraw/zinc/14/90/53/628149053.db2.gz RAKDBFKDHCUXSR-UHFFFAOYSA-N -1 1 324.384 3.323 20 30 DGEDMM C=C(C)COc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000819722227 628183127 /nfs/dbraw/zinc/18/31/27/628183127.db2.gz DIRAFUTWVSIMRS-UHFFFAOYSA-N -1 1 311.345 3.027 20 30 DGEDMM C=C(C)COc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000819722227 628183133 /nfs/dbraw/zinc/18/31/33/628183133.db2.gz DIRAFUTWVSIMRS-UHFFFAOYSA-N -1 1 311.345 3.027 20 30 DGEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2o1 ZINC000821320408 628356135 /nfs/dbraw/zinc/35/61/35/628356135.db2.gz PEULZGVUVNPRGC-GFCCVEGCSA-N -1 1 306.277 3.016 20 30 DGEDMM N#C[C@H](C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2o1 ZINC000821320408 628356138 /nfs/dbraw/zinc/35/61/38/628356138.db2.gz PEULZGVUVNPRGC-GFCCVEGCSA-N -1 1 306.277 3.016 20 30 DGEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000821320059 628356182 /nfs/dbraw/zinc/35/61/82/628356182.db2.gz HVXLZUGTCDAIKJ-LBPRGKRZSA-N -1 1 322.345 3.485 20 30 DGEDMM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1C ZINC000822284517 628436540 /nfs/dbraw/zinc/43/65/40/628436540.db2.gz SFUPMWVMIYYRTB-VURMDHGXSA-N -1 1 310.382 3.441 20 30 DGEDMM O=C1c2ccsc2CCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504106 628570478 /nfs/dbraw/zinc/57/04/78/628570478.db2.gz MHSYPWBCIQUONO-FPLPWBNLSA-N -1 1 314.395 3.202 20 30 DGEDMM C=C(CC)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000823877866 628605990 /nfs/dbraw/zinc/60/59/90/628605990.db2.gz JDPRRALMDNJHFR-UHFFFAOYSA-N -1 1 322.372 3.432 20 30 DGEDMM CC(=NN[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953806 628612855 /nfs/dbraw/zinc/61/28/55/628612855.db2.gz QZRNTRMRSLFFDZ-JTQLQIEISA-N -1 1 312.402 3.003 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)C[C@@H](C)C2)o1 ZINC000824858587 628701373 /nfs/dbraw/zinc/70/13/73/628701373.db2.gz KSDCCDGKCODJQY-NXEZZACHSA-N -1 1 317.397 3.202 20 30 DGEDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000825256684 628743743 /nfs/dbraw/zinc/74/37/43/628743743.db2.gz ZIJQAOIKKRTHQT-HIFRSBDPSA-N -1 1 320.820 3.060 20 30 DGEDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1C#N)c1ccccc1 ZINC000826054968 628824057 /nfs/dbraw/zinc/82/40/57/628824057.db2.gz UBLNROWSTLEDRY-SJCJKPOMSA-N -1 1 312.344 3.249 20 30 DGEDMM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826297095 628841685 /nfs/dbraw/zinc/84/16/85/628841685.db2.gz VCDVJELPHFTRLB-VOTSOKGWSA-N -1 1 310.382 3.441 20 30 DGEDMM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826297095 628841688 /nfs/dbraw/zinc/84/16/88/628841688.db2.gz VCDVJELPHFTRLB-VOTSOKGWSA-N -1 1 310.382 3.441 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1F ZINC000826400066 628851448 /nfs/dbraw/zinc/85/14/48/628851448.db2.gz OAUFFRHYHBYXHR-GQCTYLIASA-N -1 1 318.308 3.103 20 30 DGEDMM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401454 628851562 /nfs/dbraw/zinc/85/15/62/628851562.db2.gz ZJLBHKYDKIQHSU-PLNGDYQASA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401454 628851564 /nfs/dbraw/zinc/85/15/64/628851564.db2.gz ZJLBHKYDKIQHSU-PLNGDYQASA-N -1 1 316.773 3.478 20 30 DGEDMM CCC(F)(F)C(=O)[N-][C@H](C#N)c1ccccc1Br ZINC000827627719 628978108 /nfs/dbraw/zinc/97/81/08/628978108.db2.gz ZRJUBORUPBOYFO-SNVBAGLBSA-N -1 1 317.133 3.175 20 30 DGEDMM CC(C)(C(=O)[O-])[C@H](NCc1ccccc1C#N)c1ccccc1 ZINC000833412546 629601221 /nfs/dbraw/zinc/60/12/21/629601221.db2.gz BHLIKNGMQFMFMP-QGZVFWFLSA-N -1 1 308.381 3.500 20 30 DGEDMM O=C([O-])c1ccccc1NN=Cc1cn2cc(Cl)ccc2n1 ZINC000833783815 629650147 /nfs/dbraw/zinc/65/01/47/629650147.db2.gz SSTMXVBBWKYKKJ-UHFFFAOYSA-N -1 1 314.732 3.132 20 30 DGEDMM N#Cc1cccc(C2(NCc3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000833978229 629664213 /nfs/dbraw/zinc/66/42/13/629664213.db2.gz GIROTTBBLUYQIL-UHFFFAOYSA-N -1 1 307.353 3.427 20 30 DGEDMM N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])s1 ZINC000833972270 629664548 /nfs/dbraw/zinc/66/45/48/629664548.db2.gz YBJWQACMBGDYBV-HUUCEWRRSA-N -1 1 319.430 3.117 20 30 DGEDMM C[C@@H](NN=Cc1cccc(Br)c1[O-])C(F)(F)F ZINC000834996565 629817571 /nfs/dbraw/zinc/81/75/71/629817571.db2.gz UBKFCKRAYBCBJR-ZCFIWIBFSA-N -1 1 311.101 3.029 20 30 DGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])C=C[C@H]2CCOC2)s1 ZINC000835387877 629920894 /nfs/dbraw/zinc/92/08/94/629920894.db2.gz MNLBVPVLBZPPJH-KBIXYVOKSA-N -1 1 304.415 3.210 20 30 DGEDMM C=CCC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CCCC1 ZINC000836991216 630198736 /nfs/dbraw/zinc/19/87/36/630198736.db2.gz RGTYRJAGEYHMAV-UHFFFAOYSA-N -1 1 317.433 3.480 20 30 DGEDMM COc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)cc(OC)c1[O-] ZINC000843271520 630639754 /nfs/dbraw/zinc/63/97/54/630639754.db2.gz ZMEQXLBGIJBSDE-AATRIKPKSA-N -1 1 316.357 3.083 20 30 DGEDMM C#CC[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000843681796 630687257 /nfs/dbraw/zinc/68/72/57/630687257.db2.gz PPFJGPRUYRENRO-NSHDSACASA-N -1 1 322.202 3.030 20 30 DGEDMM CC(=NNCC(F)(F)F)c1ccc([O-])c(Br)c1 ZINC000844592712 630741816 /nfs/dbraw/zinc/74/18/16/630741816.db2.gz HNDPGSVTZSUGIZ-UHFFFAOYSA-N -1 1 311.101 3.031 20 30 DGEDMM CSCCON=C(C)c1ccc(Br)cc1[O-] ZINC000794577822 661092318 /nfs/dbraw/zinc/09/23/18/661092318.db2.gz ZTDPNKZQFFBEOA-UHFFFAOYSA-N -1 1 304.209 3.258 20 30 DGEDMM CC(=NNCc1ccccc1N(C)C)c1ccc(F)cc1[O-] ZINC000794951290 661115894 /nfs/dbraw/zinc/11/58/94/661115894.db2.gz DMZGHSDQNRJCKS-UHFFFAOYSA-N -1 1 301.365 3.111 20 30 DGEDMM COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc([O-])c(F)c1)C2 ZINC000794962241 661116981 /nfs/dbraw/zinc/11/69/81/661116981.db2.gz YCKKOEBSBOZFDX-LFYBBSHMSA-N -1 1 314.312 3.371 20 30 DGEDMM COc1cc(/C=C\C(=O)c2cc(C)ccc2[O-])cc(OC)c1O ZINC000254962193 655550042 /nfs/dbraw/zinc/55/00/42/655550042.db2.gz SKTOGNKDIFJATL-ALCCZGGFSA-N -1 1 314.337 3.320 20 30 DGEDMM N#Cc1csc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000176906119 655865316 /nfs/dbraw/zinc/86/53/16/655865316.db2.gz MKQHISGIXMIKNI-UHFFFAOYSA-N -1 1 309.253 3.058 20 30 DGEDMM COCCOc1ccccc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000156650986 658932645 /nfs/dbraw/zinc/93/26/45/658932645.db2.gz IQYWUOLXIYABID-SOFGYWHQSA-N -1 1 314.337 3.019 20 30 DGEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(-n3cncn3)cc2)c1 ZINC000156698960 658936005 /nfs/dbraw/zinc/93/60/05/658936005.db2.gz UGSFLEJGKGDQOJ-WEVVVXLNSA-N -1 1 305.337 3.177 20 30 DGEDMM C#CCCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188099928 661915835 /nfs/dbraw/zinc/91/58/35/661915835.db2.gz GHQWJHFMGOZGSK-UHFFFAOYSA-N -1 1 324.204 3.214 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2nccn2-c2ccccc2)c1 ZINC000191319914 662059346 /nfs/dbraw/zinc/05/93/46/662059346.db2.gz LQGOPIDFEHHFAH-MDZDMXLPSA-N -1 1 320.348 3.483 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc3ccccc23)c(=O)o1 ZINC000192538713 662103256 /nfs/dbraw/zinc/10/32/56/662103256.db2.gz LLLNEYXIPWFYMB-MOEXGYKKSA-N -1 1 312.346 3.130 20 30 DGEDMM CCCCCCC[C@@H](C)CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001577505925 1191906165 /nfs/dbraw/zinc/90/61/65/1191906165.db2.gz PGSKNKBAVBZCCF-GFCCVEGCSA-N -1 1 319.409 3.186 20 30 DGEDMM CCCCCCC[C@@H](C)CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001577505925 1191906168 /nfs/dbraw/zinc/90/61/68/1191906168.db2.gz PGSKNKBAVBZCCF-GFCCVEGCSA-N -1 1 319.409 3.186 20 30 DGEDMM CC[C@@H](C)CON=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl ZINC001590409420 1192506336 /nfs/dbraw/zinc/50/63/36/1192506336.db2.gz GZPFCERUKOJJKS-MRVPVSSYSA-N -1 1 311.748 3.056 20 30 DGEDMM CC[C@@H](C)CON=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl ZINC001590409420 1192506339 /nfs/dbraw/zinc/50/63/39/1192506339.db2.gz GZPFCERUKOJJKS-MRVPVSSYSA-N -1 1 311.748 3.056 20 30 DGEDMM CCCCCCCCCCNc1nccnc1-c1nnn[n-]1 ZINC001590593054 1192530119 /nfs/dbraw/zinc/53/01/19/1192530119.db2.gz UYPKRTYGDCPMCV-UHFFFAOYSA-N -1 1 303.414 3.209 20 30 DGEDMM CCCCCCCCCCNc1nccnc1-c1nn[n-]n1 ZINC001590593054 1192530121 /nfs/dbraw/zinc/53/01/21/1192530121.db2.gz UYPKRTYGDCPMCV-UHFFFAOYSA-N -1 1 303.414 3.209 20 30 DGEDMM CCCCCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590592794 1192530474 /nfs/dbraw/zinc/53/04/74/1192530474.db2.gz KCLOAZUEKPLZJQ-UHFFFAOYSA-N -1 1 319.409 3.282 20 30 DGEDMM CCCCCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590592794 1192530475 /nfs/dbraw/zinc/53/04/75/1192530475.db2.gz KCLOAZUEKPLZJQ-UHFFFAOYSA-N -1 1 319.409 3.282 20 30 DGEDMM N#CC1(c2ccc(C(=O)Nc3cc([O-])c(F)cc3F)cc2)CC1 ZINC001625894260 1176764014 /nfs/dbraw/zinc/76/40/14/1176764014.db2.gz UYIOEFOVWGCBRE-UHFFFAOYSA-N -1 1 314.291 3.478 20 30 DGEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC001601101396 1192918864 /nfs/dbraw/zinc/91/88/64/1192918864.db2.gz OCEIAUCNWDXHRI-ZDUSSCGKSA-N -1 1 324.764 3.328 20 30 DGEDMM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001601123214 1192919982 /nfs/dbraw/zinc/91/99/82/1192919982.db2.gz PZENQSAMSYWRIN-HNNXBMFYSA-N -1 1 300.745 3.127 20 30 DGEDMM N#Cc1cccc([C@@H](NCc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001601118843 1192920276 /nfs/dbraw/zinc/92/02/76/1192920276.db2.gz PAAVNMIBZYCXGA-OAHLLOKOSA-N -1 1 318.735 3.266 20 30 DGEDMM N#Cc1cccc([C@H](NCc2cccc(Cl)c2F)C(=O)[O-])c1 ZINC001601118068 1192920317 /nfs/dbraw/zinc/92/03/17/1192920317.db2.gz GZWAECXBYCUWKX-HNNXBMFYSA-N -1 1 318.735 3.266 20 30 DGEDMM N#Cc1ccsc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001342952659 1179214696 /nfs/dbraw/zinc/21/46/96/1179214696.db2.gz QXZZPKQVZAAIIH-UHFFFAOYSA-N -1 1 304.718 3.062 20 30 DGEDMM COc1nc(C([O-])=C(C#N)c2cccc(F)n2)cc2ccccc21 ZINC001347106896 1179778042 /nfs/dbraw/zinc/77/80/42/1179778042.db2.gz JNXDGELNEGLMGW-CYBMUJFWSA-N -1 1 321.311 3.268 20 30 DGEDMM Cc1ccc(CNC(=S)Nc2scc([O-])c2C#N)cc1 ZINC001200306913 1180529973 /nfs/dbraw/zinc/52/99/73/1180529973.db2.gz GLEBWHWWVASCLD-UHFFFAOYSA-N -1 1 303.412 3.120 20 30 DGEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001300735281 1180919591 /nfs/dbraw/zinc/91/95/91/1180919591.db2.gz DLCSZDUSZMAFES-BBRMVZONSA-N -1 1 301.386 3.378 20 30 DGEDMM CCN(Cc1cncc(C(=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC001605461690 1193153023 /nfs/dbraw/zinc/15/30/23/1193153023.db2.gz IKXYRBYBZQMHAI-CYBMUJFWSA-N -1 1 309.369 3.235 20 30 DGEDMM N#Cc1cc(Cl)cc(OCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001606361860 1193200036 /nfs/dbraw/zinc/20/00/36/1193200036.db2.gz NJHBLNRCWHOUMQ-UHFFFAOYSA-N -1 1 317.761 3.032 20 30 DGEDMM N#C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC001465505344 1183154192 /nfs/dbraw/zinc/15/41/92/1183154192.db2.gz SZLPWWQJDOVVIE-OAHLLOKOSA-N -1 1 309.369 3.143 20 30 DGEDMM N#Cc1ccc(C2(NC(=O)c3ccc([O-])c(F)c3)CCC2)cc1 ZINC001469495517 1183412807 /nfs/dbraw/zinc/41/28/07/1183412807.db2.gz YYKXWRDGAFHOPW-UHFFFAOYSA-N -1 1 310.328 3.212 20 30 DGEDMM N#Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)cc1[O-] ZINC001471502422 1183570066 /nfs/dbraw/zinc/57/00/66/1183570066.db2.gz FUJGJAMJVJKOFD-DOTOQJQBSA-N -1 1 310.328 3.019 20 30 DGEDMM Cc1cc([C@H](NCc2ccc(C#N)cc2F)C(=O)[O-])ccc1F ZINC001607612273 1193240994 /nfs/dbraw/zinc/24/09/94/1193240994.db2.gz MPZXFVRADQKKGL-INIZCTEOSA-N -1 1 316.307 3.060 20 30 DGEDMM N#CCc1cccc2c1CCN([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC001608189448 1193282453 /nfs/dbraw/zinc/28/24/53/1193282453.db2.gz SMZXTGYJSOFWPY-GOSISDBHSA-N -1 1 324.355 3.076 20 30 DGEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCc2ccccc21 ZINC001610122612 1193377727 /nfs/dbraw/zinc/37/77/27/1193377727.db2.gz ABCIPMPTOAFFOA-GOSISDBHSA-N -1 1 306.365 3.376 20 30 DGEDMM O=C([O-])C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)C1CC1 ZINC001610752222 1193406806 /nfs/dbraw/zinc/40/68/06/1193406806.db2.gz QZIQXPPEQIPEIX-HYDYUIDNSA-N -1 1 302.157 3.371 20 30 DGEDMM O=C(c1nc(Cl)cs1)N([O-])Cc1ccccc1Cl ZINC001611650850 1193439485 /nfs/dbraw/zinc/43/94/85/1193439485.db2.gz MYWOWAOSPBFNPO-UHFFFAOYSA-N -1 1 303.170 3.482 20 30 DGEDMM Cc1c(Br)scc1C([O-])=C(C#N)c1nccn1C ZINC001515837682 1186772396 /nfs/dbraw/zinc/77/23/96/1186772396.db2.gz QKAQTQIEZYKILG-QMMMGPOBSA-N -1 1 324.203 3.043 20 30 DGEDMM N#Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(Cl)c1 ZINC001517073616 1186801151 /nfs/dbraw/zinc/80/11/51/1186801151.db2.gz VUZPSNZMJMXLAT-UHFFFAOYSA-N -1 1 323.739 3.305 20 30 DGEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@H]1C ZINC001520541319 1186952414 /nfs/dbraw/zinc/95/24/14/1186952414.db2.gz MPSZUIBDIYVTOK-LLVKDONJSA-N -1 1 318.808 3.479 20 30 DGEDMM N#Cc1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001540287789 1188228885 /nfs/dbraw/zinc/22/88/85/1188228885.db2.gz JIGOFJWHHXBWME-UHFFFAOYSA-N -1 1 323.739 3.305 20 30 DGEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC001626301445 1194071320 /nfs/dbraw/zinc/07/13/20/1194071320.db2.gz SMVQEXBLVBIMRX-UHFFFAOYSA-N -1 1 317.747 3.460 20 30 DGEDMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001629093529 1194213667 /nfs/dbraw/zinc/21/36/67/1194213667.db2.gz WPQKRQRFKNPSTD-INIZCTEOSA-N -1 1 312.344 3.154 20 30 DGEDMM O=C(Nc1ccccc1C#Cc1ccccc1)c1cncc([O-])c1 ZINC001629591779 1194242710 /nfs/dbraw/zinc/24/27/10/1194242710.db2.gz GSCACEMEIMULKH-UHFFFAOYSA-N -1 1 314.344 3.439 20 30 DGEDMM N#Cc1cccc(O[N-]C(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC001635510219 1194555645 /nfs/dbraw/zinc/55/56/45/1194555645.db2.gz CEMNNYZMNVQDJL-UHFFFAOYSA-N -1 1 323.739 3.484 20 30 DGEDMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)c1ccc(C#N)cc1 ZINC001638528071 1194723137 /nfs/dbraw/zinc/72/31/37/1194723137.db2.gz KWAMSTPLUMQWIH-UHFFFAOYSA-N -1 1 316.307 3.458 20 30 DGEDMM N#Cc1c[nH]c2cc(C(=O)Nc3cc([O-])c(F)cc3F)ccc12 ZINC001638528434 1194723317 /nfs/dbraw/zinc/72/33/17/1194723317.db2.gz WHKLWRPUCSITJB-UHFFFAOYSA-N -1 1 313.263 3.276 20 30 DGEDMM CCc1ccc(C#CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001640405514 1194811559 /nfs/dbraw/zinc/81/15/59/1194811559.db2.gz WAXONMSXMHZWSP-UHFFFAOYSA-N -1 1 313.784 3.276 20 30 DGEDMM C=CC(C)(C)CCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001642170890 1194891479 /nfs/dbraw/zinc/89/14/79/1194891479.db2.gz VSQFELOBKHRDQF-UHFFFAOYSA-N -1 1 302.349 3.412 20 30 DGEDMM COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1C ZINC001645779841 1195201237 /nfs/dbraw/zinc/20/12/37/1195201237.db2.gz HAWZOZPUZOZKJP-GFCCVEGCSA-N -1 1 310.353 3.072 20 30 DGEDMM C=CCSCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001648707732 1195324660 /nfs/dbraw/zinc/32/46/60/1195324660.db2.gz FUOLPNINMJQCTE-UHFFFAOYSA-N -1 1 322.817 3.243 20 30 DGEDMM Cc1c(C#N)cccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001650870098 1195390498 /nfs/dbraw/zinc/39/04/98/1195390498.db2.gz DSZQLQXGMJBCAV-UHFFFAOYSA-N -1 1 300.745 3.407 20 30 DGEDMM O=C(C(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001651223619 1195427615 /nfs/dbraw/zinc/42/76/15/1195427615.db2.gz MPTVVMIEDOMOGK-UHFFFAOYSA-N -1 1 307.708 3.080 20 30 DGEDMM CCCCCCCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654188809 1195782023 /nfs/dbraw/zinc/78/20/23/1195782023.db2.gz RHPHMNGPMDTROS-UHFFFAOYSA-N -1 1 309.366 3.176 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1C ZINC000071140165 1195932060 /nfs/dbraw/zinc/93/20/60/1195932060.db2.gz BGNASRQXXZZXMR-UHFFFAOYSA-N -1 1 304.346 3.115 20 30 DGEDMM CSc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000071140218 1195932242 /nfs/dbraw/zinc/93/22/42/1195932242.db2.gz UIVBHDAGPBSQLN-UHFFFAOYSA-N -1 1 322.386 3.220 20 30 DGEDMM C#CCN(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001663717657 1196934037 /nfs/dbraw/zinc/93/40/37/1196934037.db2.gz PZMZORBCISMOCU-UHFFFAOYSA-N -1 1 305.299 3.445 20 30 DGEDMM C=CCNC(=O)c1ccc(NCc2ccc([O-])c(F)c2F)cc1 ZINC001665127987 1197099976 /nfs/dbraw/zinc/09/99/76/1197099976.db2.gz SFSZIBXGYZTOLJ-UHFFFAOYSA-N -1 1 318.323 3.198 20 30 DGEDMM N#CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000313464431 1199766116 /nfs/dbraw/zinc/76/61/16/1199766116.db2.gz MDHGGLMSGCPZTG-UHFFFAOYSA-N -1 1 306.774 3.207 20 30 DGEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000316870946 1199817837 /nfs/dbraw/zinc/81/78/37/1199817837.db2.gz UQMRJMFXVPUFDM-UHFFFAOYSA-N 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324.764 3.460 20 30 DGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000026547791 431679369 /nfs/dbraw/zinc/67/93/69/431679369.db2.gz BWNVFPZXTJOJHD-UHFFFAOYSA-N -1 1 300.383 3.289 20 30 DGEDMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000029044022 431714098 /nfs/dbraw/zinc/71/40/98/431714098.db2.gz PWPXPRLVCVEOQA-UHFFFAOYSA-N -1 1 316.382 3.148 20 30 DGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C ZINC000091480131 431905423 /nfs/dbraw/zinc/90/54/23/431905423.db2.gz HQLDPJAIAOHKKS-SNVBAGLBSA-N -1 1 306.309 3.058 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000048652194 431929015 /nfs/dbraw/zinc/92/90/15/431929015.db2.gz HENPTCSZRDXLMH-UHFFFAOYSA-N -1 1 306.774 3.321 20 30 DGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])cc1F ZINC000154785876 432521241 /nfs/dbraw/zinc/52/12/41/432521241.db2.gz LSNPPIWXCKLLRO-UHFFFAOYSA-N -1 1 312.344 3.455 20 30 DGEDMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188551500 432732442 /nfs/dbraw/zinc/73/24/42/432732442.db2.gz 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433538617 /nfs/dbraw/zinc/53/86/17/433538617.db2.gz OUTPZZZFCYXYTM-UHFFFAOYSA-N -1 1 310.401 3.263 20 30 DGEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427122351 433657571 /nfs/dbraw/zinc/65/75/71/433657571.db2.gz BDHPWDBNGLCWIB-UHFFFAOYSA-N -1 1 322.386 3.220 20 30 DGEDMM Cc1cc(C#N)cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000456974151 433913666 /nfs/dbraw/zinc/91/36/66/433913666.db2.gz XIEIMRYZCUSOAX-UHFFFAOYSA-N -1 1 324.384 3.221 20 30 DGEDMM COc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c([O-])c1 ZINC000436678594 434068166 /nfs/dbraw/zinc/06/81/66/434068166.db2.gz CPGNLYMMBIXGMK-UHFFFAOYSA-N -1 1 323.352 3.099 20 30 DGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1Cl ZINC000311713896 434115702 /nfs/dbraw/zinc/11/57/02/434115702.db2.gz KOARCQNAOQRHHE-UHFFFAOYSA-N -1 1 312.803 3.382 20 30 DGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000439252510 434581107 /nfs/dbraw/zinc/58/11/07/434581107.db2.gz ZUKMLGNBZUFANY-UHFFFAOYSA-N -1 1 315.398 3.018 20 30 DGEDMM N#Cc1c(F)cccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000573692220 434917026 /nfs/dbraw/zinc/91/70/26/434917026.db2.gz BUUHQIXPJIZYTQ-UHFFFAOYSA-N -1 1 301.346 3.363 20 30 DGEDMM CCSc1cccc(F)c1[N-]C(=O)c1ccc(C#N)cn1 ZINC000583847491 435247648 /nfs/dbraw/zinc/24/76/48/435247648.db2.gz OFKNIZRDUVDRAB-UHFFFAOYSA-N -1 1 301.346 3.457 20 30 DGEDMM COc1cc(C)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000564823506 435273278 /nfs/dbraw/zinc/27/32/78/435273278.db2.gz YIXNJZZJSOOHCC-CQSZACIVSA-N -1 1 317.348 3.437 20 30 DGEDMM C#C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(Cl)cc1 ZINC000491279040 435725567 /nfs/dbraw/zinc/72/55/67/435725567.db2.gz WMFBDCKHTPMUNK-LBPRGKRZSA-N -1 1 321.710 3.428 20 30 DGEDMM CCc1nc(SCc2cccc(F)c2C#N)[n-]c(=O)c1C ZINC000575815196 316064516 /nfs/dbraw/zinc/06/45/16/316064516.db2.gz DDWIEMVAZJKSDZ-UHFFFAOYSA-N -1 1 303.362 3.356 20 30 DGEDMM COc1c(Cl)cccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000584354144 336076885 /nfs/dbraw/zinc/07/68/85/336076885.db2.gz CYWDVHUFRGPVLH-UHFFFAOYSA-N -1 1 316.810 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CC(=N[N-]c1oc(C)nc1C#N)c1c(Cl)nc2sccn21 ZINC000741839542 574972940 /nfs/dbraw/zinc/97/29/40/574972940.db2.gz JGGSEBKWQRJIKI-UHFFFAOYSA-N -1 1 320.765 3.053 20 30 DGEDMM [O-]c1ccc(C=NNCCCOc2ccccc2)cc1Cl ZINC000729147471 575219809 /nfs/dbraw/zinc/21/98/09/575219809.db2.gz DBNNERFOCFQERI-UHFFFAOYSA-N -1 1 304.777 3.438 20 30 DGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1 ZINC000747703441 575533615 /nfs/dbraw/zinc/53/36/15/575533615.db2.gz BHBTWXVNVOPZPF-CQSZACIVSA-N -1 1 304.271 3.299 20 30 DGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748640587 575599548 /nfs/dbraw/zinc/59/95/48/575599548.db2.gz VFYRGGIRPJSBBW-UHFFFAOYSA-N -1 1 312.394 3.238 20 30 DGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccsc3)nc1-2 ZINC000750722056 575747452 /nfs/dbraw/zinc/74/74/52/575747452.db2.gz ACSJXKLZMUZSLU-ZZKXABKFSA-N -1 1 308.366 3.218 20 30 DGEDMM C=CCN1C(=O)/C(=C\c2ccc([O-])c(Cl)c2)SC1=S ZINC000033313274 620666593 /nfs/dbraw/zinc/66/65/93/620666593.db2.gz DJXXNXVGVATZSQ-YRNVUSSQSA-N -1 1 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CC(=NNCC(F)(F)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000863181890 621646030 /nfs/dbraw/zinc/64/60/30/621646030.db2.gz YUHPPIYFZWDSRS-UHFFFAOYSA-N -1 1 318.192 3.182 20 30 DGEDMM N#Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1[O-] ZINC000863242221 621653312 /nfs/dbraw/zinc/65/33/12/621653312.db2.gz ORJCKHCBWNKWQP-OKZBNKHCSA-N -1 1 318.376 3.140 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(F)cc1 ZINC000756898742 621670960 /nfs/dbraw/zinc/67/09/60/621670960.db2.gz AZKJKEKEGSORFF-UHFFFAOYSA-N -1 1 302.305 3.369 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(C)ccc1O ZINC000756901525 621671403 /nfs/dbraw/zinc/67/14/03/621671403.db2.gz TZJFPORUSPLFNX-UHFFFAOYSA-N -1 1 314.341 3.244 20 30 DGEDMM Cc1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1C#N ZINC000863404691 621671723 /nfs/dbraw/zinc/67/17/23/621671723.db2.gz ZNVAYBQEHSDOSX-UHFFFAOYSA-N -1 1 316.348 3.169 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccc(O)c2OC)c1 ZINC000757466906 621713826 /nfs/dbraw/zinc/71/38/26/621713826.db2.gz AMBYJZCRGOQBFJ-SOFGYWHQSA-N -1 1 300.310 3.011 20 30 DGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cccnc2Cl)c1 ZINC000757473235 621715539 /nfs/dbraw/zinc/71/55/39/621715539.db2.gz NJOCMIFKPVQDJW-HYXAFXHYSA-N -1 1 303.701 3.035 20 30 DGEDMM Cc1ccc(NN=Cc2cc(O)c([O-])c(Br)c2)nc1 ZINC000757576958 621725538 /nfs/dbraw/zinc/72/55/38/621725538.db2.gz XCNBBFPMTGLUDT-UHFFFAOYSA-N -1 1 322.162 3.010 20 30 DGEDMM O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090299 621823780 /nfs/dbraw/zinc/82/37/80/621823780.db2.gz JZNYNJUVSPVWAN-HNQUOIGGSA-N -1 1 321.235 3.180 20 30 DGEDMM C=CCCCCCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000805218543 621980974 /nfs/dbraw/zinc/98/09/74/621980974.db2.gz CYTMGSMSQGOJST-UHFFFAOYSA-N -1 1 305.422 3.480 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CCCc3ccc(Cl)cc32)n1 ZINC000761252866 621997357 /nfs/dbraw/zinc/99/73/57/621997357.db2.gz WCAKSPLQEYTXEE-UHFFFAOYSA-N -1 1 302.765 3.297 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(C#N)s1 ZINC000762450870 622076399 /nfs/dbraw/zinc/07/63/99/622076399.db2.gz AWFRJOSDYTVXTR-UHFFFAOYSA-N -1 1 315.354 3.163 20 30 DGEDMM CO[C@@H](C)c1nc(CN[C@@H](C)c2cccc(C#N)c2[O-])cs1 ZINC000866280393 622084161 /nfs/dbraw/zinc/08/41/61/622084161.db2.gz VFZUGTUUHLBVSB-QWRGUYRKSA-N -1 1 317.414 3.279 20 30 DGEDMM O=C([O-])c1ccc(NN=Cc2csc(-c3ccccc3)n2)nc1 ZINC000763372373 622141597 /nfs/dbraw/zinc/14/15/97/622141597.db2.gz XAQVAYDOUYENOW-UHFFFAOYSA-N -1 1 324.365 3.349 20 30 DGEDMM CCc1cccc2c1NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764839282 622225175 /nfs/dbraw/zinc/22/51/75/622225175.db2.gz AQDHULADHYCXAW-UHFFFAOYSA-N -1 1 323.381 3.022 20 30 DGEDMM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764840385 622225186 /nfs/dbraw/zinc/22/51/86/622225186.db2.gz HXYMNHCOHWNSAQ-UHFFFAOYSA-N -1 1 323.381 3.076 20 30 DGEDMM O=C([O-])c1ccc2c(C=NNc3cccc(Cl)c3)n[nH]c2c1 ZINC000765549726 622272992 /nfs/dbraw/zinc/27/29/92/622272992.db2.gz ZKCIDPLGSMNOKC-UHFFFAOYSA-N -1 1 314.732 3.361 20 30 DGEDMM COc1cc(C=NNc2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000767335467 622391129 /nfs/dbraw/zinc/39/11/29/622391129.db2.gz FCMFYIHLUWVWPK-UHFFFAOYSA-N -1 1 301.733 3.372 20 30 DGEDMM CC(=NNc1cn[nH]c(=O)c1Cl)c1ccc([O-])c(Cl)c1 ZINC000768771713 622476024 /nfs/dbraw/zinc/47/60/24/622476024.db2.gz DUIDMMVAGGFMET-UHFFFAOYSA-N -1 1 313.144 3.031 20 30 DGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cn(C)nc1C(C)(C)C)O2 ZINC000769607466 622544368 /nfs/dbraw/zinc/54/43/68/622544368.db2.gz LBDXVKRKTDMFGP-AUWJEWJLSA-N -1 1 312.369 3.348 20 30 DGEDMM CC(CC1CCC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769807961 622562534 /nfs/dbraw/zinc/56/25/34/622562534.db2.gz YXMLOSDZUVDXBO-UHFFFAOYSA-N -1 1 316.409 3.265 20 30 DGEDMM N#Cc1cccc(OCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000771200091 622725761 /nfs/dbraw/zinc/72/57/61/622725761.db2.gz SVYITSPSIQEGCE-UHFFFAOYSA-N -1 1 311.272 3.032 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccn(-c3ccccc3)n2)c1 ZINC000773153245 622992399 /nfs/dbraw/zinc/99/23/99/622992399.db2.gz JJBPETBWROZIDX-CLFYSBASSA-N -1 1 320.348 3.483 20 30 DGEDMM Cc1cc(=O)[n-]c(NN=C2CCCOc3cc(Cl)ccc32)n1 ZINC000774575598 623162022 /nfs/dbraw/zinc/16/20/22/623162022.db2.gz PWLWXXXMNYCEKL-UHFFFAOYSA-N -1 1 318.764 3.133 20 30 DGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 ZINC000776316656 623411144 /nfs/dbraw/zinc/41/11/44/623411144.db2.gz NEAYBGRKWZHDBZ-UHFFFAOYSA-N -1 1 322.151 3.405 20 30 DGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cccc2c1OCCCO2 ZINC000780187121 623875099 /nfs/dbraw/zinc/87/50/99/623875099.db2.gz APSMJXVEMJWDLK-NTEUORMPSA-N -1 1 308.333 3.376 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(C)cc(OC)nc2C)c1 ZINC000781550350 624090660 /nfs/dbraw/zinc/09/06/60/624090660.db2.gz UASDNTUIBPMCME-VURMDHGXSA-N -1 1 313.353 3.317 20 30 DGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc2cnccc2c1 ZINC000782253983 624228233 /nfs/dbraw/zinc/22/82/33/624228233.db2.gz KSQJSDXDMHJNLD-UHFFFAOYSA-N -1 1 321.336 3.388 20 30 DGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)C1CCCCCC1 ZINC000783824378 624398721 /nfs/dbraw/zinc/39/87/21/624398721.db2.gz RRUAULSLRPYOPP-UHFFFAOYSA-N -1 1 319.430 3.071 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ncc(C(F)(F)F)s1 ZINC000788351234 625133407 /nfs/dbraw/zinc/13/34/07/625133407.db2.gz PTCGVEDBSBDFSL-WTKPLQERSA-N -1 1 313.256 3.484 20 30 DGEDMM CCc1cccc(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000788732528 625253008 /nfs/dbraw/zinc/25/30/08/625253008.db2.gz NOUICVJJFPSWOX-WAVCKPEOSA-N -1 1 318.756 3.131 20 30 DGEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cncs1 ZINC000796749249 626078226 /nfs/dbraw/zinc/07/82/26/626078226.db2.gz YIZAGNVCIMLSHQ-CYBMUJFWSA-N -1 1 321.361 3.257 20 30 DGEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000797833762 626172832 /nfs/dbraw/zinc/17/28/32/626172832.db2.gz JKDWFDJUNIFHSW-VIFPVBQESA-N -1 1 324.204 3.213 20 30 DGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(C)C ZINC000798473018 626219563 /nfs/dbraw/zinc/21/95/63/626219563.db2.gz YJWVNIWIYCSHKP-NSHDSACASA-N -1 1 324.204 3.069 20 30 DGEDMM CCCCCCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000799645335 626317029 /nfs/dbraw/zinc/31/70/29/626317029.db2.gz VVOJHFQYHSSLPI-UHFFFAOYSA-N -1 1 300.380 3.307 20 30 DGEDMM CC[C@@H](C#N)OC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000801411198 626403489 /nfs/dbraw/zinc/40/34/89/626403489.db2.gz QWVVPLFSNMDSQT-AWEZNQCLSA-N -1 1 313.357 3.160 20 30 DGEDMM Cc1ccccc1-n1cc(/C=C/C(=O)c2ccc([O-])cc2)nn1 ZINC000806569260 626722260 /nfs/dbraw/zinc/72/22/60/626722260.db2.gz OTNXLHMIAFBTHL-DHZHZOJOSA-N -1 1 305.337 3.177 20 30 DGEDMM COC(=O)c1cc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])cn1C ZINC000811691416 627306246 /nfs/dbraw/zinc/30/62/46/627306246.db2.gz OLFKMMSQSLWCGL-WAYWQWQTSA-N -1 1 313.353 3.030 20 30 DGEDMM Cc1cccnc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000889888666 627477307 /nfs/dbraw/zinc/47/73/07/627477307.db2.gz APPIGQMGRJJRNC-KRWDZBQOSA-N -1 1 323.396 3.485 20 30 DGEDMM O=C([O-])c1ccc2c(c1)CCCC2=NNc1nc2ccccc2[nH]1 ZINC000814708208 627585256 /nfs/dbraw/zinc/58/52/56/627585256.db2.gz DVTPHMRLFRDNBO-UHFFFAOYSA-N -1 1 320.352 3.414 20 30 DGEDMM C=CCC(F)(F)C(=O)[N-][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000815881372 627709039 /nfs/dbraw/zinc/70/90/39/627709039.db2.gz LZKSQGQDZADISY-LLVKDONJSA-N -1 1 323.261 3.066 20 30 DGEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(Br)c2)on1 ZINC000821021653 628327078 /nfs/dbraw/zinc/32/70/78/628327078.db2.gz KJNKQBYSJSVDSZ-HYXAFXHYSA-N -1 1 324.130 3.047 20 30 DGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c2ccccc12 ZINC000822924188 628510402 /nfs/dbraw/zinc/51/04/02/628510402.db2.gz YRQACVVVVCTZNP-FNORWQNLSA-N -1 1 321.365 3.306 20 30 DGEDMM CC(C)(C)c1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000824136982 628630384 /nfs/dbraw/zinc/63/03/84/628630384.db2.gz VYMXOTVBLVGJSE-UHFFFAOYSA-N -1 1 310.361 3.203 20 30 DGEDMM CC(C)(C)c1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000824136982 628630386 /nfs/dbraw/zinc/63/03/86/628630386.db2.gz VYMXOTVBLVGJSE-UHFFFAOYSA-N -1 1 310.361 3.203 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCC[C@H]2C)o1 ZINC000824352494 628653796 /nfs/dbraw/zinc/65/37/96/628653796.db2.gz FYNVTGZNMGTSQK-GHMZBOCLSA-N -1 1 317.397 3.202 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H](C)[C@H]2C)o1 ZINC000824352755 628653852 /nfs/dbraw/zinc/65/38/52/628653852.db2.gz LTFTVXJBDYZHTI-NXEZZACHSA-N -1 1 317.397 3.202 20 30 DGEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000825256683 628743608 /nfs/dbraw/zinc/74/36/08/628743608.db2.gz ZIJQAOIKKRTHQT-DZGCQCFKSA-N -1 1 320.820 3.060 20 30 DGEDMM CC(C)(C#N)CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000826072269 628825465 /nfs/dbraw/zinc/82/54/65/628825465.db2.gz UEALMJGHZDUMJD-UHFFFAOYSA-N -1 1 324.808 3.262 20 30 DGEDMM CC(C)(C#N)CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000826072269 628825467 /nfs/dbraw/zinc/82/54/67/628825467.db2.gz UEALMJGHZDUMJD-UHFFFAOYSA-N -1 1 324.808 3.262 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000826286379 628839716 /nfs/dbraw/zinc/83/97/16/628839716.db2.gz ZWZYJZZCIATKIA-PLNGDYQASA-N -1 1 302.384 3.194 20 30 DGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000826286379 628839720 /nfs/dbraw/zinc/83/97/20/628839720.db2.gz ZWZYJZZCIATKIA-PLNGDYQASA-N -1 1 302.384 3.194 20 30 DGEDMM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401455 628850460 /nfs/dbraw/zinc/85/04/60/628850460.db2.gz ZJLBHKYDKIQHSU-SNAWJCMRSA-N -1 1 316.773 3.478 20 30 DGEDMM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401455 628850463 /nfs/dbraw/zinc/85/04/63/628850463.db2.gz ZJLBHKYDKIQHSU-SNAWJCMRSA-N -1 1 316.773 3.478 20 30 DGEDMM C[C@@]1(C#N)CCCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833551139 629619549 /nfs/dbraw/zinc/61/95/49/629619549.db2.gz GXUKRMMXMGFFAM-IBGZPJMESA-N -1 1 324.380 3.369 20 30 DGEDMM C=C[C@@H](C)O[N-]C(=O)C1(Cc2ccccc2Br)CC1 ZINC000846552481 631260296 /nfs/dbraw/zinc/26/02/96/631260296.db2.gz IQDLAJXBBVERFL-LLVKDONJSA-N -1 1 324.218 3.394 20 30 DGEDMM Cc1ccc([C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F)o1 ZINC000847220548 631441307 /nfs/dbraw/zinc/44/13/07/631441307.db2.gz KNEKWAYDZTYPDB-BQBZGAKWSA-N -1 1 307.165 3.208 20 30 DGEDMM C[C@H](NN=Cc1cc(O)c([O-])c(Br)c1)C(C)(C)C ZINC000793111257 661005629 /nfs/dbraw/zinc/00/56/29/661005629.db2.gz FJUMEXKCUKEZJO-QMMMGPOBSA-N -1 1 315.211 3.218 20 30 DGEDMM CCNc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000793210973 661013237 /nfs/dbraw/zinc/01/32/37/661013237.db2.gz ZZQOWLMVLMAFIY-LBPRGKRZSA-N -1 1 300.749 3.052 20 30 DGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3ccccc3s2)c(=O)o1 ZINC000254944602 655547196 /nfs/dbraw/zinc/54/71/96/655547196.db2.gz NRSMSINYGDLXAY-WLMCBFPDSA-N -1 1 312.346 3.130 20 30 DGEDMM CCOC(=O)c1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)o1 ZINC000255207710 655646672 /nfs/dbraw/zinc/64/66/72/655646672.db2.gz AYUUSNLSQPENNF-BENRWUELSA-N -1 1 312.321 3.374 20 30 DGEDMM O=C(/C=C\c1cn2cc(Cl)ccc2n1)c1cc(O)ccc1[O-] ZINC000255313682 655697635 /nfs/dbraw/zinc/69/76/35/655697635.db2.gz KBKBVPHIIBFVLH-RQOWECAXSA-N -1 1 314.728 3.295 20 30 DGEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnc3c(C)cccn23)c1 ZINC000255721122 655891716 /nfs/dbraw/zinc/89/17/16/655891716.db2.gz IPSGLECEIIFNLE-ALCCZGGFSA-N -1 1 308.337 3.253 20 30 DGEDMM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000299736722 656222191 /nfs/dbraw/zinc/22/21/91/656222191.db2.gz CGGBVQMCUHXBIF-HXUAIIEXSA-N -1 1 309.321 3.285 20 30 DGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccco1 ZINC000000012201 658146175 /nfs/dbraw/zinc/14/61/75/658146175.db2.gz JBWATVQJGAMVOS-SECBINFHSA-N -1 1 306.680 3.033 20 30 DGEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)c1 ZINC000127575211 658183212 /nfs/dbraw/zinc/18/32/12/658183212.db2.gz QGSZSNRWQYPDNK-NSHDSACASA-N -1 1 302.717 3.203 20 30 DGEDMM O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000157311206 659047198 /nfs/dbraw/zinc/04/71/98/659047198.db2.gz MZKWMGLJQIUAMQ-ORCRQEGFSA-N -1 1 303.245 3.041 20 30 DGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccn(-c2ccccc2)n1 ZINC000179514711 659931958 /nfs/dbraw/zinc/93/19/58/659931958.db2.gz ACJLMJVRHMLVLY-LICLKQGHSA-N -1 1 304.305 3.194 20 30 DGEDMM C=C[C@H](CC)CC(=O)NCc1cccc(Br)c1[O-] ZINC000935663508 661800525 /nfs/dbraw/zinc/80/05/25/661800525.db2.gz UPFANSWIKPZIIK-SNVBAGLBSA-N -1 1 312.207 3.373 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000193399312 662133195 /nfs/dbraw/zinc/13/31/95/662133195.db2.gz WDTZWRRTYSNCKM-GFCCVEGCSA-N -1 1 302.717 3.203 20 30 DGEDMM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000193399326 662133225 /nfs/dbraw/zinc/13/32/25/662133225.db2.gz WDTZWRRTYSNCKM-LBPRGKRZSA-N -1 1 302.717 3.203 20 30 DGEDMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)c1cccc(C#N)c1 ZINC001583259628 1192139789 /nfs/dbraw/zinc/13/97/89/1192139789.db2.gz YXIRYNIYWVNZEH-UHFFFAOYSA-N -1 1 300.745 3.123 20 30 DGEDMM N#C[C@H](NC(=O)c1ccc([O-])cn1)c1c(Cl)cccc1Cl ZINC001584985773 1192234320 /nfs/dbraw/zinc/23/43/20/1192234320.db2.gz GUXZJVXOAQHPCA-LBPRGKRZSA-N -1 1 322.151 3.089 20 30 DGEDMM CC(C)(CCC#N)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589272503 1192462060 /nfs/dbraw/zinc/46/20/60/1192462060.db2.gz NOVZBOLEEIXXNI-UHFFFAOYSA-N -1 1 321.388 3.157 20 30 DGEDMM CC(C)(CCC#N)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589272503 1192462062 /nfs/dbraw/zinc/46/20/62/1192462062.db2.gz NOVZBOLEEIXXNI-UHFFFAOYSA-N -1 1 321.388 3.157 20 30 DGEDMM C[C@@H]1CC(=Cc2nc(-c3nnn[n-]3)cs2)C(=O)c2ccccc21 ZINC001590181228 1192492950 /nfs/dbraw/zinc/49/29/50/1192492950.db2.gz MVZRVLMLALITQN-SBMLRHLQSA-N -1 1 323.381 3.097 20 30 DGEDMM C[C@@H]1CC(=Cc2nc(-c3nn[n-]n3)cs2)C(=O)c2ccccc21 ZINC001590181228 1192492952 /nfs/dbraw/zinc/49/29/52/1192492952.db2.gz MVZRVLMLALITQN-SBMLRHLQSA-N -1 1 323.381 3.097 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCCC[C@@H]2C)o1 ZINC001590255468 1192498787 /nfs/dbraw/zinc/49/87/87/1192498787.db2.gz SXLHNAXCZHDOCI-JTQLQIEISA-N -1 1 317.397 3.346 20 30 DGEDMM Cc1cc(C)c(C(=O)C=Cc2ccccc2-c2nn[nH]n2)c([O-])c1 ZINC001591945354 1192582179 /nfs/dbraw/zinc/58/21/79/1192582179.db2.gz HHSKSPAZSKZAFT-BQYQJAHWSA-N -1 1 320.352 3.085 20 30 DGEDMM Cc1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)oc1C(=O)[O-] ZINC001600185455 1192800774 /nfs/dbraw/zinc/80/07/74/1192800774.db2.gz AQKXUOFXCXKAGS-BQYQJAHWSA-N -1 1 313.353 3.244 20 30 DGEDMM Cc1cc(C#N)nc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001333724707 1178660967 /nfs/dbraw/zinc/66/09/67/1178660967.db2.gz NILNGFVLRYYHAD-UHFFFAOYSA-N -1 1 321.380 3.067 20 30 DGEDMM Cc1nn(C(C)C)c(C)c1CN=Nc1cccc(C(=O)[O-])c1F ZINC001600766866 1192898982 /nfs/dbraw/zinc/89/89/82/1192898982.db2.gz RZUZLXHNVORETN-UHFFFAOYSA-N -1 1 318.352 3.364 20 30 DGEDMM Cc1oc(C=NNc2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600837970 1192903561 /nfs/dbraw/zinc/90/35/61/1192903561.db2.gz JDVAMKOAKFZJNR-UHFFFAOYSA-N -1 1 323.692 3.294 20 30 DGEDMM Cc1oc(CNC2(c3ccc(C#N)cc3)CCC2)cc1C(=O)[O-] ZINC001600852227 1192904391 /nfs/dbraw/zinc/90/43/91/1192904391.db2.gz PFEPTNTVDQEWJM-UHFFFAOYSA-N -1 1 310.353 3.327 20 30 DGEDMM N#CC1(C(=O)[O-])CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC001601053026 1192914595 /nfs/dbraw/zinc/91/45/95/1192914595.db2.gz KTWXEAZMFPSRKH-OWOJBTEDSA-N -1 1 304.777 3.044 20 30 DGEDMM Cc1cccnc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC001342677015 1179172743 /nfs/dbraw/zinc/17/27/43/1179172743.db2.gz QQNSUELMFGJAPU-KRWDZBQOSA-N -1 1 323.396 3.485 20 30 DGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nn2C)n1 ZINC001344849103 1179485431 /nfs/dbraw/zinc/48/54/31/1179485431.db2.gz UHGXHIXFMLEHPS-LLVKDONJSA-N -1 1 314.414 3.367 20 30 DGEDMM COc1cc(C#N)ccc1OC(=O)c1cccc(Cl)c1[O-] ZINC001348112077 1179829868 /nfs/dbraw/zinc/82/98/68/1179829868.db2.gz BBPLMMUWRLZKCD-UHFFFAOYSA-N -1 1 303.701 3.145 20 30 DGEDMM C=C(CC(C)C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001349311646 1179891809 /nfs/dbraw/zinc/89/18/09/1179891809.db2.gz PYFKRGHSCVQMEM-UHFFFAOYSA-N -1 1 315.413 3.416 20 30 DGEDMM C=C(C)[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001602747406 1192996523 /nfs/dbraw/zinc/99/65/23/1192996523.db2.gz QOZXHXZVXMURHT-HNNXBMFYSA-N -1 1 306.312 3.398 20 30 DGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC3(C2)CCCC3)o1 ZINC001603406377 1193017066 /nfs/dbraw/zinc/01/70/66/1193017066.db2.gz GMOYZOHXFNVRBF-UHFFFAOYSA-N -1 1 315.381 3.100 20 30 DGEDMM CCCCCCC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604176725 1193058406 /nfs/dbraw/zinc/05/84/06/1193058406.db2.gz XQSPEFFAKQTTOB-GFCCVEGCSA-N -1 1 319.409 3.186 20 30 DGEDMM CCCCCCC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604176725 1193058409 /nfs/dbraw/zinc/05/84/09/1193058409.db2.gz XQSPEFFAKQTTOB-GFCCVEGCSA-N -1 1 319.409 3.186 20 30 DGEDMM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1OCC(=O)[O-] ZINC001604322560 1193064846 /nfs/dbraw/zinc/06/48/46/1193064846.db2.gz MUULPTIPFDHKJM-UONOGXRCSA-N -1 1 324.380 3.433 20 30 DGEDMM N#Cc1cccc2c1CN(C(=O)Cc1ccc([O-])c(Cl)c1)C2 ZINC001469689699 1183430320 /nfs/dbraw/zinc/43/03/20/1183430320.db2.gz JISQLMZFQYCXFO-UHFFFAOYSA-N -1 1 312.756 3.002 20 30 DGEDMM CC1(C)C[C@@]1(NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001470491998 1183491262 /nfs/dbraw/zinc/49/12/62/1183491262.db2.gz RZBMEDZUWUFJOU-LJQANCHMSA-N -1 1 306.365 3.319 20 30 DGEDMM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001475646324 1184012941 /nfs/dbraw/zinc/01/29/41/1184012941.db2.gz MHZSXAXBSNARBX-UHFFFAOYSA-N -1 1 321.364 3.375 20 30 DGEDMM N#Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC001608207271 1193282906 /nfs/dbraw/zinc/28/29/06/1193282906.db2.gz FCMJGMKTXGDEGS-QGZVFWFLSA-N -1 1 312.344 3.393 20 30 DGEDMM N#Cc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC001608207267 1193283298 /nfs/dbraw/zinc/28/32/98/1193283298.db2.gz FCMJGMKTXGDEGS-KRWDZBQOSA-N -1 1 312.344 3.393 20 30 DGEDMM N#Cc1ccc([C@@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC001608202527 1193283360 /nfs/dbraw/zinc/28/33/60/1193283360.db2.gz RMOSRZVWROKHEW-OAHLLOKOSA-N -1 1 318.735 3.266 20 30 DGEDMM C#CCCCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001611040568 1193420502 /nfs/dbraw/zinc/42/05/02/1193420502.db2.gz VYGMHQAEKWFDAE-UHFFFAOYSA-N -1 1 302.761 3.127 20 30 DGEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@@H]1C ZINC001520541404 1186951998 /nfs/dbraw/zinc/95/19/98/1186951998.db2.gz MPSZUIBDIYVTOK-NSHDSACASA-N -1 1 318.808 3.479 20 30 DGEDMM N#Cc1nnc2ccccc2c1NCc1ccc([O-])c(Cl)c1 ZINC001612852948 1193462371 /nfs/dbraw/zinc/46/23/71/1193462371.db2.gz GJUIABVYUVDJIM-UHFFFAOYSA-N -1 1 310.744 3.473 20 30 DGEDMM N#Cc1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)co1 ZINC001531592447 1187698502 /nfs/dbraw/zinc/69/85/02/1187698502.db2.gz HZFWDXUTJMRLTD-UHFFFAOYSA-N -1 1 314.301 3.061 20 30 DGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1F ZINC001540781175 1188260371 /nfs/dbraw/zinc/26/03/71/1188260371.db2.gz IHGSIBGFRJGATL-UHFFFAOYSA-N -1 1 312.344 3.455 20 30 DGEDMM N#Cc1sccc1C(=O)Nc1cccc([O-])c1Br ZINC001556696963 1189014800 /nfs/dbraw/zinc/01/48/00/1189014800.db2.gz JNBUAFKVIDZOLW-UHFFFAOYSA-N -1 1 323.171 3.340 20 30 DGEDMM Cc1ccc(C2(CNC(=O)c3ccc(C#N)c([O-])c3)CC2)c(C)c1 ZINC001556791610 1189020902 /nfs/dbraw/zinc/02/09/02/1189020902.db2.gz VUKAZOZGOSWIEF-UHFFFAOYSA-N -1 1 320.392 3.342 20 30 DGEDMM C#CCC1(C(=O)NCCc2c(F)cc([O-])cc2F)CCCCC1 ZINC001558515174 1189130711 /nfs/dbraw/zinc/13/07/11/1189130711.db2.gz APPVNGJSTCXVQI-UHFFFAOYSA-N -1 1 321.367 3.303 20 30 DGEDMM C#C[C@@H](CCC)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001558974996 1189160373 /nfs/dbraw/zinc/16/03/73/1189160373.db2.gz HUUTXUPISFLNEX-NSHDSACASA-N -1 1 302.761 3.126 20 30 DGEDMM Cc1cc(C#N)cc(NCc2ncc(Br)cc2[O-])c1 ZINC001560885179 1189399971 /nfs/dbraw/zinc/39/99/71/1189399971.db2.gz USNSLPKWUVAZDT-UHFFFAOYSA-N -1 1 318.174 3.342 20 30 DGEDMM C=C1CCC(CNC(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001565321255 1189637764 /nfs/dbraw/zinc/63/77/64/1189637764.db2.gz FTFMPSYXOQMVKM-UHFFFAOYSA-N -1 1 324.371 3.259 20 30 DGEDMM CC(C)C1CCC(CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC001622412720 1193900588 /nfs/dbraw/zinc/90/05/88/1193900588.db2.gz JCEHBKPJTFUHCM-UHFFFAOYSA-N -1 1 300.402 3.456 20 30 DGEDMM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC001623438086 1193932687 /nfs/dbraw/zinc/93/26/87/1193932687.db2.gz ACJDETLILXVQSV-KRWDZBQOSA-N -1 1 322.364 3.080 20 30 DGEDMM C[C@]1(C#N)CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001623743377 1193953709 /nfs/dbraw/zinc/95/37/09/1193953709.db2.gz OHBOHOVTZRJQGO-CQSZACIVSA-N -1 1 312.291 3.177 20 30 DGEDMM COc1ccc(C#N)cc1NC(=O)c1cc(SC)ccc1[O-] ZINC001627046217 1194109143 /nfs/dbraw/zinc/10/91/43/1194109143.db2.gz NNTLNEBDWBFDNF-UHFFFAOYSA-N -1 1 314.366 3.247 20 30 DGEDMM CCC(CC)CN(CCC#N)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001628445806 1194178918 /nfs/dbraw/zinc/17/89/18/1194178918.db2.gz NJPOGZDMFPAWRM-UHFFFAOYSA-N -1 1 316.401 3.305 20 30 DGEDMM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001630315950 1194280311 /nfs/dbraw/zinc/28/03/11/1194280311.db2.gz FTTFZMRJBKKYHA-UHFFFAOYSA-N -1 1 316.307 3.340 20 30 DGEDMM N#CCc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001630988809 1194313593 /nfs/dbraw/zinc/31/35/93/1194313593.db2.gz GFEZRHUUGZGMQM-UHFFFAOYSA-N -1 1 300.745 3.042 20 30 DGEDMM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1C#N ZINC001632309050 1194381690 /nfs/dbraw/zinc/38/16/90/1194381690.db2.gz SBAIBXFGKSABHQ-UHFFFAOYSA-N -1 1 302.717 3.178 20 30 DGEDMM C=CCCC[C@@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001633585425 1194444528 /nfs/dbraw/zinc/44/45/28/1194444528.db2.gz QSMUAFYTBKRJLN-LLVKDONJSA-N -1 1 312.360 3.257 20 30 DGEDMM CCNc1ccc(C#N)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001636232611 1194601849 /nfs/dbraw/zinc/60/18/49/1194601849.db2.gz TVSOGEJMEMDUNO-UHFFFAOYSA-N -1 1 323.352 3.151 20 30 DGEDMM N#Cc1ccsc1C(=O)Nc1cccc([O-])c1Br ZINC001637140889 1194653572 /nfs/dbraw/zinc/65/35/72/1194653572.db2.gz UBIVIXKSROHZKO-UHFFFAOYSA-N -1 1 323.171 3.340 20 30 DGEDMM O=C([C@@H]1Cc2ccccc2O1)N([O-])Cc1ccccc1Cl ZINC001639054531 1194748891 /nfs/dbraw/zinc/74/88/91/1194748891.db2.gz QGCOMDVKZOXCOF-HNNXBMFYSA-N -1 1 303.745 3.062 20 30 DGEDMM C=CCCCCCCCNC(=O)c1cnc(SC)[n-]c1=O ZINC001642066530 1194886496 /nfs/dbraw/zinc/88/64/96/1194886496.db2.gz YYLOBFFWGXGVBU-UHFFFAOYSA-N -1 1 309.435 3.161 20 30 DGEDMM C=CCCCCSc1nc(C)c(CCC(=O)OCC)c(=O)[n-]1 ZINC001644191998 1195088695 /nfs/dbraw/zinc/08/86/95/1195088695.db2.gz TZNHSFHZIISOSV-UHFFFAOYSA-N -1 1 324.446 3.435 20 30 DGEDMM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc([O-])c(F)c1 ZINC001652286634 1195575497 /nfs/dbraw/zinc/57/54/97/1195575497.db2.gz UCVRUUVOBROXAC-UHFFFAOYSA-N -1 1 312.344 3.154 20 30 DGEDMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000081301581 1197198008 /nfs/dbraw/zinc/19/80/08/1197198008.db2.gz SQFPEPSNNIGDTG-UHFFFAOYSA-N -1 1 304.346 3.001 20 30 DGEDMM C=CCCC[C@H](C)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001673493957 1197669122 /nfs/dbraw/zinc/66/91/22/1197669122.db2.gz HKDMPRWKDJLPPG-ZDUSSCGKSA-N -1 1 314.389 3.444 20 30 DGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1C ZINC000092131032 1198534688 /nfs/dbraw/zinc/53/46/88/1198534688.db2.gz ACIQHTLNXNKXBC-UHFFFAOYSA-N -1 1 300.383 3.170 20 30 DGEDMM