smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)/C=C\c2coc(-c3ccc(C)cc3)n2)c(OC)cc1[O-] ZINC000254965513 1080105971 /nfs/dbraw/zinc/10/59/71/1080105971.db2.gz MNCRZHQHELBJGB-HJWRWDBZSA-N -1 3 365.385 4.269 20 30 FIEDHM CCOc1cc(/C=C\C(=O)c2occc2C)cc(Br)c1[O-] ZINC000254989282 1080168642 /nfs/dbraw/zinc/16/86/42/1080168642.db2.gz IYPDPJIEHGQLCC-PLNGDYQASA-N -1 3 351.196 4.351 20 30 FIEDHM CN(Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1)C(=O)C(F)(F)F ZINC000255018382 1080368392 /nfs/dbraw/zinc/36/83/92/1080368392.db2.gz PHKHGCGCHKOHCY-UHFFFAOYSA-N -1 3 370.758 4.317 20 30 FIEDHM N#CCCn1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1-c1ccccc1 ZINC000430307847 1080666539 /nfs/dbraw/zinc/66/65/39/1080666539.db2.gz SQGZWBMUSOBTFO-UHFFFAOYSA-N -1 3 366.808 4.075 20 30 FIEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000255064463 1081066499 /nfs/dbraw/zinc/06/64/99/1081066499.db2.gz STBUIMOUYQUQTR-UHFFFAOYSA-N -1 3 352.825 4.391 20 30 FIEDHM N#C[C@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1cccc(Cl)c1Cl ZINC000121608396 1083297389 /nfs/dbraw/zinc/29/73/89/1083297389.db2.gz AGORZAGXHSQKDE-NSHDSACASA-N -1 3 359.134 4.405 20 30 FIEDHM CCOc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1[O-] ZINC000211779147 1083336920 /nfs/dbraw/zinc/33/69/20/1083336920.db2.gz LUOJFKVXIDJVLS-FPLPWBNLSA-N -1 3 359.809 4.299 20 30 FIEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])o2)cc1 ZINC000102784546 1083599964 /nfs/dbraw/zinc/59/99/64/1083599964.db2.gz KTXHTDWAMXSQKC-UHFFFAOYSA-N -1 3 368.776 4.342 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000066544174 1084641814 /nfs/dbraw/zinc/64/18/14/1084641814.db2.gz XNPNPWJDIOZDSE-QGZVFWFLSA-N -1 3 364.426 4.317 20 30 FIEDHM CC[C@H]1CCCC[C@@H]1c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000551535732 1084674748 /nfs/dbraw/zinc/67/47/48/1084674748.db2.gz GSMLBBYBNMZCQH-HOCLYGCPSA-N -1 3 354.454 4.128 20 30 FIEDHM Cc1csc(C(C#N)=C([O-])c2cc(Br)cn2C(C)C)n1 ZINC000173898180 1084707209 /nfs/dbraw/zinc/70/72/09/1084707209.db2.gz UUSRILBFVWJBPW-NSHDSACASA-N -1 3 352.257 4.087 20 30 FIEDHM N#CCn1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc2ccccc21 ZINC000643778784 1085186706 /nfs/dbraw/zinc/18/67/06/1085186706.db2.gz USLFDBQNCCDYNW-CQSZACIVSA-N -1 3 368.318 4.069 20 30 FIEDHM COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)cc(Br)c1[O-] ZINC000255555317 1085784781 /nfs/dbraw/zinc/78/47/81/1085784781.db2.gz VQSQCPGSQNUKNY-RQOWECAXSA-N -1 3 368.614 4.108 20 30 FIEDHM Cn1cc(Oc2ccccc2C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000549569746 1085826583 /nfs/dbraw/zinc/82/65/83/1085826583.db2.gz ADNMAQDICZQUHQ-IBGZPJMESA-N -1 3 368.396 4.251 20 30 FIEDHM N#CC(=C([O-])c1ccc(Cl)c2ncccc12)c1cnc2ccccc2n1 ZINC000549572465 1085834986 /nfs/dbraw/zinc/83/49/86/1085834986.db2.gz UERJELJLHGARLF-CQSZACIVSA-N -1 3 358.788 4.321 20 30 FIEDHM CCOc1cc(/C=C\C(=O)c2ccccc2C#N)cc(Br)c1[O-] ZINC000588618258 1087612975 /nfs/dbraw/zinc/61/29/75/1087612975.db2.gz JUWDEDPSDNXFML-FPLPWBNLSA-N -1 3 372.218 4.321 20 30 FIEDHM N#CC(=C([O-])c1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)cs1 ZINC000647370935 1087781119 /nfs/dbraw/zinc/78/11/19/1087781119.db2.gz GLSXQRIQTZYDQU-GFCCVEGCSA-N -1 3 352.337 4.409 20 30 FIEDHM C=CCCn1cc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)nn1 ZINC000424653300 1088132898 /nfs/dbraw/zinc/13/28/98/1088132898.db2.gz XQZUYEDYYSYCGK-UHFFFAOYSA-N -1 3 350.875 4.260 20 30 FIEDHM Cc1cc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)sc1Cl ZINC000188124346 1090177737 /nfs/dbraw/zinc/17/77/37/1090177737.db2.gz RVYRSJKWLPAMQO-CYBMUJFWSA-N -1 3 354.884 4.033 20 30 FIEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CSCc1ccco1 ZINC000759833756 1091277268 /nfs/dbraw/zinc/27/72/68/1091277268.db2.gz MHWOILKCCUSXNM-XOVSCCBYSA-N -1 3 360.822 4.027 20 30 FIEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1C(C)C ZINC000432775235 1092315427 /nfs/dbraw/zinc/31/54/27/1092315427.db2.gz HHVGYBZRUHZPHM-UHFFFAOYSA-N -1 3 358.463 4.108 20 30 FIEDHM CCCc1c(NCc2cc([O-])cc(F)c2)cnn1-c1cccc(C#N)c1 ZINC000438918344 1092564687 /nfs/dbraw/zinc/56/46/87/1092564687.db2.gz KCMCSAARCMZEOE-UHFFFAOYSA-N -1 3 350.397 4.153 20 30 FIEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000442891995 1092846821 /nfs/dbraw/zinc/84/68/21/1092846821.db2.gz DBAFNZBNEQFIPI-FQEVSTJZSA-N -1 3 372.490 4.337 20 30 FIEDHM COc1cc(/C=C\C(=O)c2ccc(F)cc2F)cc(Br)c1[O-] ZINC000212510206 1093370870 /nfs/dbraw/zinc/37/08/70/1093370870.db2.gz MXYPAFMNXCBBKC-DJWKRKHSSA-N -1 3 369.161 4.338 20 30 FIEDHM O=C(CCSc1ccccc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000072673353 1093582747 /nfs/dbraw/zinc/58/27/47/1093582747.db2.gz QNDVYUZDYNJBKF-UHFFFAOYSA-N -1 3 350.753 4.247 20 30 FIEDHM O=C(CCSc1ccccc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000072673353 1093582752 /nfs/dbraw/zinc/58/27/52/1093582752.db2.gz QNDVYUZDYNJBKF-UHFFFAOYSA-N -1 3 350.753 4.247 20 30 FIEDHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000120622923 1093905592 /nfs/dbraw/zinc/90/55/92/1093905592.db2.gz GTUDHAFUHVSFRX-UHFFFAOYSA-N -1 3 359.385 4.320 20 30 FIEDHM COc1cc(/C=C2\Cc3c(cccc3C)C2=O)cc(Br)c1[O-] ZINC000729149269 1093935162 /nfs/dbraw/zinc/93/51/62/1093935162.db2.gz CTWJAKWLSBGSHU-WUXMJOGZSA-N -1 3 359.219 4.294 20 30 FIEDHM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3ccccn3)s2)c(F)c1 ZINC000501329175 1094638017 /nfs/dbraw/zinc/63/80/17/1094638017.db2.gz XTFMFGJMKOYHFQ-CQSZACIVSA-N -1 3 367.405 4.151 20 30 FIEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000329038468 1094721280 /nfs/dbraw/zinc/72/12/80/1094721280.db2.gz ZNERUJQCMQQYMB-QLFBSQMISA-N -1 3 350.484 4.253 20 30 FIEDHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329369529 1094865916 /nfs/dbraw/zinc/86/59/16/1094865916.db2.gz AKOIGNSUXXAFJY-KCXAZCMYSA-N -1 3 372.856 4.261 20 30 FIEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000664293253 1096246812 /nfs/dbraw/zinc/24/68/12/1096246812.db2.gz UIXJNSDCVDJFAV-CRAIPNDOSA-N -1 3 366.465 4.414 20 30 FIEDHM C=CCN(CCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000533256586 1098916758 /nfs/dbraw/zinc/91/67/58/1098916758.db2.gz UYHMUWUGCUHYOH-UHFFFAOYSA-N -1 3 359.429 4.312 20 30 FIEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000437192497 1099697270 /nfs/dbraw/zinc/69/72/70/1099697270.db2.gz XWYVVSFOLFTFGZ-HNNXBMFYSA-N -1 3 364.430 4.032 20 30 FIEDHM N#Cc1c([N-]C(=O)c2nc(-c3ccccc3)cs2)sc2c1CCC2 ZINC000192468723 1099775553 /nfs/dbraw/zinc/77/55/53/1099775553.db2.gz NQSVHVYIMMXSQC-UHFFFAOYSA-N -1 3 351.456 4.484 20 30 FIEDHM COCc1c(C(=O)[N-]c2snc(C)c2C#N)sc2cccc(F)c21 ZINC000439291764 1101315858 /nfs/dbraw/zinc/31/58/58/1101315858.db2.gz BXEBDGOFFCZABI-UHFFFAOYSA-N -1 3 361.423 4.076 20 30 FIEDHM N#Cc1ccc(Nc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2)cc1 ZINC000523424647 1108196198 /nfs/dbraw/zinc/19/61/98/1108196198.db2.gz HECRFVPPWMNOSM-UHFFFAOYSA-N -1 3 361.376 4.077 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(Cn3ccnc3)c2)s1 ZINC000453779872 1108735255 /nfs/dbraw/zinc/73/52/55/1108735255.db2.gz NQKQTBZTPXQTOG-INIZCTEOSA-N -1 3 364.474 4.175 20 30 FIEDHM Cc1cccc([O-])c1C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000600036226 1112819070 /nfs/dbraw/zinc/81/90/70/1112819070.db2.gz AIKWJGAHVOEICU-CYBMUJFWSA-N -1 3 362.351 4.274 20 30 FIEDHM N#Cc1cccc(C2CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)c1 ZINC001142657154 1113099488 /nfs/dbraw/zinc/09/94/88/1113099488.db2.gz PREIDDISNFBBAQ-UHFFFAOYSA-N -1 3 354.837 4.289 20 30 FIEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cccc(C)c1 ZINC000488106956 1113855752 /nfs/dbraw/zinc/85/57/52/1113855752.db2.gz QCNGTJMIGFIRHE-CQSZACIVSA-N -1 3 367.478 4.097 20 30 FIEDHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593193466 1115304727 /nfs/dbraw/zinc/30/47/27/1115304727.db2.gz CWSAOCMBXRTJNE-UHFFFAOYSA-N -1 3 372.490 4.384 20 30 FIEDHM N#CC1(c2ccc(CN[C@@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000596021509 1115571969 /nfs/dbraw/zinc/57/19/69/1115571969.db2.gz PXDIDJPOJBBHMC-QGZVFWFLSA-N -1 3 374.362 4.176 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@H](C)C1CC1 ZINC000601714124 1115661583 /nfs/dbraw/zinc/66/15/83/1115661583.db2.gz HSBCJWCIFCVMJD-MRXNPFEDSA-N -1 3 363.461 4.040 20 30 FIEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3coc(-c4cccnc4)n3)sc2C1 ZINC000598801388 1115755387 /nfs/dbraw/zinc/75/53/87/1115755387.db2.gz YVEQQSHHUDABDB-NSHDSACASA-N -1 3 364.430 4.047 20 30 FIEDHM COC(=O)c1oc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C ZINC000599408642 1115814694 /nfs/dbraw/zinc/81/46/94/1115814694.db2.gz ABUMSRRNKFGZHP-LBPRGKRZSA-N -1 3 358.419 4.021 20 30 FIEDHM CCCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)CCC ZINC000063327700 1116047361 /nfs/dbraw/zinc/04/73/61/1116047361.db2.gz GPJBHZMIOVYSRJ-OAHLLOKOSA-N -1 3 359.514 4.003 20 30 FIEDHM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1ccc(C(F)(F)F)cn1 ZINC000463064792 1117948965 /nfs/dbraw/zinc/94/89/65/1117948965.db2.gz PWDADHMSSWRWLF-ZDUSSCGKSA-N -1 3 366.726 4.179 20 30 FIEDHM Cc1ccnc2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc12 ZINC000464425795 1118560419 /nfs/dbraw/zinc/56/04/19/1118560419.db2.gz KQPZAFCSLUVSIL-OAHLLOKOSA-N -1 3 355.319 4.447 20 30 FIEDHM CCCc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)[nH]c(C)c1C(=O)OC ZINC000177764033 1119350568 /nfs/dbraw/zinc/35/05/68/1119350568.db2.gz INHUSWLZSIIYIB-ZDUSSCGKSA-N -1 3 373.478 4.132 20 30 FIEDHM C=CCC[C@@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000187119508 1119767669 /nfs/dbraw/zinc/76/76/69/1119767669.db2.gz FAZMPCTVMLNCEZ-HXUWFJFHSA-N -1 3 373.456 4.434 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccccc2OC(F)(F)F)c(OC)cc1[O-] ZINC000763104412 1121116727 /nfs/dbraw/zinc/11/67/27/1121116727.db2.gz MGZAFPXKUZKDKF-FPLPWBNLSA-N -1 3 368.307 4.204 20 30 FIEDHM COc1cc(C(=O)/C=C/c2ccccc2Br)c(OC)cc1[O-] ZINC000763104375 1121117634 /nfs/dbraw/zinc/11/76/34/1121117634.db2.gz MBUBPTUDBSCEPZ-BQYQJAHWSA-N -1 3 363.207 4.068 20 30 FIEDHM COc1cc(C(=O)/C=C\c2csc(Br)c2)c(OC)cc1[O-] ZINC000763105431 1121118222 /nfs/dbraw/zinc/11/82/22/1121118222.db2.gz QTRVTYDYRDXDEH-ARJAWSKDSA-N -1 3 369.236 4.130 20 30 FIEDHM CN(c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1F)C1CCCCC1 ZINC000915983031 1121362960 /nfs/dbraw/zinc/36/29/60/1121362960.db2.gz NWMLEXXCIOJHGW-UHFFFAOYSA-N -1 3 358.413 4.462 20 30 FIEDHM CCOc1cc(C=NNCc2cccc3cccnc32)cc(Cl)c1[O-] ZINC000915963157 1121364291 /nfs/dbraw/zinc/36/42/91/1121364291.db2.gz NTOBJONWMKYMEM-UHFFFAOYSA-N -1 3 355.825 4.116 20 30 FIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1csc(-c2ccccn2)n1 ZINC000915988096 1121367753 /nfs/dbraw/zinc/36/77/53/1121367753.db2.gz QGHIXQDOQVRTAK-BKLZJWBFSA-N -1 3 352.390 4.433 20 30 FIEDHM CCCCCCN([O-])C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001649056744 1121384282 /nfs/dbraw/zinc/38/42/82/1121384282.db2.gz HQERZOUVZIABRI-IAGOWNOFSA-N -1 3 370.534 4.458 20 30 FIEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC001649069846 1121541762 /nfs/dbraw/zinc/54/17/62/1121541762.db2.gz JZKUZUGRYOWLAM-UHFFFAOYSA-N -1 3 363.392 4.137 20 30 FIEDHM COc1ccc2c(c1)OCC(C(=O)N([O-])Cc1cccc3ccccc31)=C2 ZINC001649069577 1121543245 /nfs/dbraw/zinc/54/32/45/1121543245.db2.gz DDWTZYIOJZIWPS-UHFFFAOYSA-N -1 3 361.397 4.042 20 30 FIEDHM N#Cc1ccc2ncc(NCc3cc(Cl)c4cccnc4c3[O-])nc2c1 ZINC001168522425 1121986568 /nfs/dbraw/zinc/98/65/68/1121986568.db2.gz QVXQFBXYVZIAKX-UHFFFAOYSA-N -1 3 361.792 4.021 20 30 FIEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)c(OCc2ccccc2)c1 ZINC000917557413 1122361288 /nfs/dbraw/zinc/36/12/88/1122361288.db2.gz KYUJRLJSSTWMKC-UHFFFAOYSA-N -1 3 362.429 4.226 20 30 FIEDHM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nc(-c2ccncc2)cs1 ZINC000128852833 1122434180 /nfs/dbraw/zinc/43/41/80/1122434180.db2.gz PWAMSQLSJIVEKU-AWEZNQCLSA-N -1 3 371.368 4.297 20 30 FIEDHM COCCOc1ccc(N=Cc2cc(Br)ccc2[O-])cc1F ZINC000920176803 1123403940 /nfs/dbraw/zinc/40/39/40/1123403940.db2.gz AECYFHHGRDQBNS-UHFFFAOYSA-N -1 3 368.202 4.070 20 30 FIEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(-c2cccs2)cc1F ZINC000920383377 1123449922 /nfs/dbraw/zinc/44/99/22/1123449922.db2.gz GBHZKSBRSRDRCO-UHFFFAOYSA-N -1 3 374.462 4.008 20 30 FIEDHM Cc1cc(C)cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000921255733 1123596047 /nfs/dbraw/zinc/59/60/47/1123596047.db2.gz AZOILQAFQGCJAU-UHFFFAOYSA-N -1 3 354.504 4.358 20 30 FIEDHM CCOC(=O)c1sc([N-]C(=O)c2cc3occc3s2)c(C#N)c1C ZINC000609853613 1123859672 /nfs/dbraw/zinc/85/96/72/1123859672.db2.gz PTDZOVVMOPDYHE-UHFFFAOYSA-N -1 3 360.416 4.165 20 30 FIEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C1CCCCC1 ZINC000542831176 1124415943 /nfs/dbraw/zinc/41/59/43/1124415943.db2.gz NIELUQILHDTIEK-MRXNPFEDSA-N -1 3 361.449 4.074 20 30 FIEDHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@@H]1CCC[C@H]1C#N ZINC000602978359 568036446 /nfs/dbraw/zinc/03/64/46/568036446.db2.gz PNUGKISXHWKBSA-GOEBONIOSA-N -1 3 364.474 4.188 20 30 FIEDHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)[C@@H]1CCC[C@@H]1C#N ZINC000602978687 568036516 /nfs/dbraw/zinc/03/65/16/568036516.db2.gz VCHDFWYPCBKLBD-GDBMZVCRSA-N -1 3 364.474 4.188 20 30 FIEDHM COc1ccccc1OCc1ccc(C(=O)[N-]c2nnc(C(C)C)s2)o1 ZINC000049612420 568133702 /nfs/dbraw/zinc/13/37/02/568133702.db2.gz JNDPMLUCMHZFNH-UHFFFAOYSA-N -1 3 373.434 4.478 20 30 FIEDHM CCSc1cccc(F)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000291629279 568232223 /nfs/dbraw/zinc/23/22/23/568232223.db2.gz JCZCZBNDHQBRII-UHFFFAOYSA-N -1 3 373.453 4.098 20 30 FIEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(Oc3ccncc3)c2)nc(C)n1 ZINC000604690944 568346107 /nfs/dbraw/zinc/34/61/07/568346107.db2.gz QIQVYNSUWSCTNY-SFHVURJKSA-N -1 3 358.401 4.079 20 30 FIEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(F)cc2F)CCCC1 ZINC000090028540 1082601150 /nfs/dbraw/zinc/60/11/50/1082601150.db2.gz WBEMEQGKLTUQJB-UHFFFAOYSA-N -1 3 360.286 4.202 20 30 FIEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(F)cc2F)CCCC1 ZINC000090028540 1082601153 /nfs/dbraw/zinc/60/11/53/1082601153.db2.gz WBEMEQGKLTUQJB-UHFFFAOYSA-N -1 3 360.286 4.202 20 30 FIEDHM CSc1ccncc1[N-]C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000610543942 1082940690 /nfs/dbraw/zinc/94/06/90/1082940690.db2.gz INHWBYMDOCFKMK-UHFFFAOYSA-N -1 3 365.414 4.099 20 30 FIEDHM [O-]c1c(O)ccc(C=Nc2cccc(COCCc3ccccc3)c2)c1O ZINC000255377647 1082977890 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C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1C ZINC000124102400 1121661990 /nfs/dbraw/zinc/66/19/90/1121661990.db2.gz XFQHXPMFLDMCTC-AWEZNQCLSA-N -1 3 367.478 4.097 20 30 FIEDHM N#CC(=C([O-])C=Cc1ccc(Br)o1)c1ccc2ccccc2n1 ZINC000916848826 1121872738 /nfs/dbraw/zinc/87/27/38/1121872738.db2.gz ITGCQUDUPGGMED-DEBLGDTFSA-N -1 3 367.202 4.480 20 30 FIEDHM Cc1nc(C(C)C)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916882710 1121909393 /nfs/dbraw/zinc/90/93/93/1121909393.db2.gz AWZWVKKRCNEBRO-ZDUSSCGKSA-N -1 3 361.854 4.190 20 30 FIEDHM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)o2)cc1 ZINC000916898688 1121913309 /nfs/dbraw/zinc/91/33/09/1121913309.db2.gz GVWIKZXVTPTDKI-SFHVURJKSA-N -1 3 372.380 4.110 20 30 FIEDHM N#CC(=C([O-])C=Cc1ccccc1F)c1nc2ccccc2n1C(F)F ZINC000917040096 1122012379 /nfs/dbraw/zinc/01/23/79/1122012379.db2.gz IJPXUQTTZLZKDW-XPSMFNQNSA-N -1 3 355.319 4.460 20 30 FIEDHM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000553267972 1122056303 /nfs/dbraw/zinc/05/63/03/1122056303.db2.gz SODSJDWGQLSFHH-UHFFFAOYSA-N -1 3 350.399 4.151 20 30 FIEDHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000066629120 1122080276 /nfs/dbraw/zinc/08/02/76/1122080276.db2.gz ANRLFGHDMNEOQF-LLVKDONJSA-N -1 3 358.389 4.370 20 30 FIEDHM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000066629120 1122080284 /nfs/dbraw/zinc/08/02/84/1122080284.db2.gz ANRLFGHDMNEOQF-LLVKDONJSA-N -1 3 358.389 4.370 20 30 FIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1 ZINC000131569275 1122083154 /nfs/dbraw/zinc/08/31/54/1122083154.db2.gz USQKGQPFXHIBIV-ACJLOTCBSA-N -1 3 360.417 4.038 20 30 FIEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000066801717 1122098020 /nfs/dbraw/zinc/09/80/20/1122098020.db2.gz RNVBAZAOPJXZQI-CYBMUJFWSA-N -1 3 364.430 4.383 20 30 FIEDHM C=CCCO[N-]C(=O)CC[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001168627436 1122188968 /nfs/dbraw/zinc/18/89/68/1122188968.db2.gz PTOAYTFLWMZPLP-KRWDZBQOSA-N -1 3 368.518 4.254 20 30 FIEDHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000195104056 1123136466 /nfs/dbraw/zinc/13/64/66/1123136466.db2.gz UTRWHJNEXAJISE-SNVBAGLBSA-N -1 3 374.535 4.437 20 30 FIEDHM CC(C)C(=O)Nc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000920942360 1123539620 /nfs/dbraw/zinc/53/96/20/1123539620.db2.gz ZXVVFDWUDHMBPP-UHFFFAOYSA-N -1 3 361.239 4.500 20 30 FIEDHM COc1cc(/C=C2\Cc3c(cccc3F)C2=O)cc(Br)c1[O-] ZINC000921264451 1123606853 /nfs/dbraw/zinc/60/68/53/1123606853.db2.gz UEGOIERYVNZIEF-BJMVGYQFSA-N -1 3 363.182 4.125 20 30 FIEDHM COc1cc(C(=O)/C=C/c2ncc(-c3ccccc3)s2)c(OC)cc1[O-] ZINC000179742738 1124049616 /nfs/dbraw/zinc/04/96/16/1124049616.db2.gz YHHYTMQBHNNWFI-CMDGGOBGSA-N -1 3 367.426 4.429 20 30 FIEDHM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000130959379 1125308671 /nfs/dbraw/zinc/30/86/71/1125308671.db2.gz IXFKQRYOGLEZNG-LBPRGKRZSA-N -1 3 369.686 4.152 20 30 FIEDHM CC(C)N(Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000063750953 205293407 /nfs/dbraw/zinc/29/34/07/205293407.db2.gz AIPZQXNZEVEUQS-UHFFFAOYSA-N -1 3 372.428 4.364 20 30 FIEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436580665 567915522 /nfs/dbraw/zinc/91/55/22/567915522.db2.gz HAOQFHCFNQHNQW-UHFFFAOYSA-N -1 3 370.452 4.321 20 30 FIEDHM CC(C)(C)c1csc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c1C#N ZINC000570142290 568454348 /nfs/dbraw/zinc/45/43/48/568454348.db2.gz MUUAYUSMYYVXJD-GFCCVEGCSA-N -1 3 361.492 4.478 20 30 FIEDHM N#CC[C@@H](CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccccc1 ZINC000619473427 1125602333 /nfs/dbraw/zinc/60/23/33/1125602333.db2.gz QGZPGHXKVYMPCN-HNNXBMFYSA-N -1 3 364.836 4.178 20 30 FIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2CC)cc1 ZINC000160167152 1079535651 /nfs/dbraw/zinc/53/56/51/1079535651.db2.gz TWNMWFCSPFEHSX-HNNXBMFYSA-N -1 3 355.463 4.009 20 30 FIEDHM Cc1cc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)ccc1[O-] ZINC000728232516 1080724271 /nfs/dbraw/zinc/72/42/71/1080724271.db2.gz VQHMMZRNQJDHLT-GORDUTHDSA-N -1 3 361.191 4.088 20 30 FIEDHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000609107022 1081288851 /nfs/dbraw/zinc/28/88/51/1081288851.db2.gz SYADFHSLMVDKBR-UHFFFAOYSA-N -1 3 362.426 4.067 20 30 FIEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=CSCc1ccco1 ZINC000255136323 1081390011 /nfs/dbraw/zinc/39/00/11/1081390011.db2.gz MECFHSIFNYZFFT-SIJIIQCFSA-N -1 3 364.426 4.408 20 30 FIEDHM CC(C)(C)c1csc([N-]C(=O)c2csc(-c3ncc[nH]3)n2)c1C#N ZINC000891146587 1081505902 /nfs/dbraw/zinc/50/59/02/1081505902.db2.gz XKWGDUDIJKMVHL-UHFFFAOYSA-N -1 3 357.464 4.016 20 30 FIEDHM N#Cc1cccc(COc2cccc(N=Cc3ccc(O)c([O-])c3O)c2)c1 ZINC000255166004 1081541163 /nfs/dbraw/zinc/54/11/63/1081541163.db2.gz PVVQXWMMTCNNIY-UHFFFAOYSA-N -1 3 360.369 4.005 20 30 FIEDHM N#Cc1cccc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000160542970 1082006686 /nfs/dbraw/zinc/00/66/86/1082006686.db2.gz FANAWODHEVTKPY-UHFFFAOYSA-N -1 3 370.434 4.267 20 30 FIEDHM CCOc1cccc(C=Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1O ZINC000255267469 1082313089 /nfs/dbraw/zinc/31/30/89/1082313089.db2.gz RRFPILLQAZNBEB-UHFFFAOYSA-N -1 3 363.417 4.267 20 30 FIEDHM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430584298 1082528641 /nfs/dbraw/zinc/52/86/41/1082528641.db2.gz OWERYZVWHDFTNW-OAHLLOKOSA-N -1 3 370.474 4.480 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)s1 ZINC000430597853 1082557948 /nfs/dbraw/zinc/55/79/48/1082557948.db2.gz QYKHTPTVDKFAQZ-HNNXBMFYSA-N -1 3 350.447 4.116 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)s1 ZINC000430597855 1082558155 /nfs/dbraw/zinc/55/81/55/1082558155.db2.gz QYKHTPTVDKFAQZ-OAHLLOKOSA-N -1 3 350.447 4.116 20 30 FIEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc2ccccc2n1C(F)F ZINC000255369570 1082961981 /nfs/dbraw/zinc/96/19/81/1082961981.db2.gz PVEPPAUJBYVGGT-HWPRWLFBSA-N -1 3 372.762 4.369 20 30 FIEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)cc1)c1nc(C2CC2)cs1 ZINC000647377091 1083362131 /nfs/dbraw/zinc/36/21/31/1083362131.db2.gz OSAYLYLIKBVUBA-CYBMUJFWSA-N -1 3 366.364 4.452 20 30 FIEDHM CC(C)(C)c1cc([N-]C(=O)c2csc(-c3cnccn3)n2)c(C#N)s1 ZINC000179552774 1083557777 /nfs/dbraw/zinc/55/77/77/1083557777.db2.gz QPJGPDWKJKAYNW-UHFFFAOYSA-N -1 3 369.475 4.083 20 30 FIEDHM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)NCC(F)(F)F ZINC000181377986 1083893880 /nfs/dbraw/zinc/89/38/80/1083893880.db2.gz NTIKMMGFWXEEJC-MRVPVSSYSA-N -1 3 368.199 4.170 20 30 FIEDHM Cc1cccc(-n2ncc(C([O-])=C(C#N)c3ccccn3)c2C(F)(F)F)c1 ZINC000613296496 1084557607 /nfs/dbraw/zinc/55/76/07/1084557607.db2.gz HJGPEJXCUIKXHU-AWEZNQCLSA-N -1 3 370.334 4.085 20 30 FIEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nccc4ccccc43)c2)o1 ZINC000582521836 1085092498 /nfs/dbraw/zinc/09/24/98/1085092498.db2.gz UCGLXDPTYIPNCR-GOSISDBHSA-N -1 3 354.369 4.083 20 30 FIEDHM COc1cc(C(=O)/C=C\c2c(F)ccc(Br)c2F)ccc1[O-] ZINC000799890545 1085191652 /nfs/dbraw/zinc/19/16/52/1085191652.db2.gz PUVIXPLHXGONDZ-CLTKARDFSA-N -1 3 369.161 4.338 20 30 FIEDHM N#Cc1cccc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1 ZINC000158766986 1086052957 /nfs/dbraw/zinc/05/29/57/1086052957.db2.gz BBHVOQIPBXPTQB-UHFFFAOYSA-N -1 3 365.439 4.409 20 30 FIEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3c(C4CC4)cnn3C)n2)cc1 ZINC000659041872 1087957237 /nfs/dbraw/zinc/95/72/37/1087957237.db2.gz IWZCZWIARSRULG-HNNXBMFYSA-N -1 3 362.458 4.220 20 30 FIEDHM Cc1cc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)sc1Cl ZINC000188124321 1090177461 /nfs/dbraw/zinc/17/74/61/1090177461.db2.gz RVYRSJKWLPAMQO-ZDUSSCGKSA-N -1 3 354.884 4.033 20 30 FIEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122921168 1090320757 /nfs/dbraw/zinc/32/07/57/1090320757.db2.gz YPGSBRFROUNYDL-OAHLLOKOSA-N -1 3 362.385 4.019 20 30 FIEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122921405 1090322822 /nfs/dbraw/zinc/32/28/22/1090322822.db2.gz YPGSBRFROUNYDL-HNNXBMFYSA-N -1 3 362.385 4.019 20 30 FIEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CSCc1ccco1 ZINC000759833755 1091277460 /nfs/dbraw/zinc/27/74/60/1091277460.db2.gz MHWOILKCCUSXNM-JWJUJFCLSA-N -1 3 360.822 4.027 20 30 FIEDHM CCOc1cc(/C=C/C(=O)c2ccccc2C#N)cc(Br)c1[O-] ZINC000194590897 1091395307 /nfs/dbraw/zinc/39/53/07/1091395307.db2.gz JUWDEDPSDNXFML-BQYQJAHWSA-N -1 3 372.218 4.321 20 30 FIEDHM Cn1c(C(C#N)=C([O-])c2ccncc2Oc2ccccc2)nc2ccccc21 ZINC000442037300 1092395968 /nfs/dbraw/zinc/39/59/68/1092395968.db2.gz XJFLCSWSOKNYGV-KRWDZBQOSA-N -1 3 368.396 4.251 20 30 FIEDHM CCc1c(C)sc([N-]C(=O)c2csc(-c3ncccc3F)n2)c1C#N ZINC000512789719 1093342894 /nfs/dbraw/zinc/34/28/94/1093342894.db2.gz ZTJHFYCVGMDDKP-UHFFFAOYSA-N -1 3 372.450 4.401 20 30 FIEDHM N#Cc1c([N-]C(=O)c2csc(-c3ncccc3F)n2)sc2c1CCC2 ZINC000512957251 1093603482 /nfs/dbraw/zinc/60/34/82/1093603482.db2.gz NDNACQXWWFJWBD-UHFFFAOYSA-N -1 3 370.434 4.018 20 30 FIEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000729148633 1093934297 /nfs/dbraw/zinc/93/42/97/1093934297.db2.gz CPVOWWSSFNZGQH-UHFFFAOYSA-N -1 3 362.710 4.470 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)c2ccc(Br)cc2n1 ZINC000054452514 1094458469 /nfs/dbraw/zinc/45/84/69/1094458469.db2.gz HNWWSAXTTZODCC-OAHLLOKOSA-N -1 3 366.218 4.191 20 30 FIEDHM N#CC(=C([O-])c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccn1 ZINC000041493748 1094612068 /nfs/dbraw/zinc/61/20/68/1094612068.db2.gz ZLTXNSPWHTZMNY-CQSZACIVSA-N -1 3 362.410 4.071 20 30 FIEDHM C=CCNC(=O)c1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436917917 1099433582 /nfs/dbraw/zinc/43/35/82/1099433582.db2.gz CUTZIOPKHMLJIS-UHFFFAOYSA-N -1 3 371.396 4.178 20 30 FIEDHM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000517520119 1100449101 /nfs/dbraw/zinc/44/91/01/1100449101.db2.gz VOAJMRSPAJGPPS-OAHLLOKOSA-N -1 3 360.504 4.065 20 30 FIEDHM COCc1ncc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)s1 ZINC000519565049 1102707089 /nfs/dbraw/zinc/70/70/89/1102707089.db2.gz ZLZHUXFZJJTXDM-UHFFFAOYSA-N -1 3 355.444 4.142 20 30 FIEDHM N#Cc1ccccc1COc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000426702876 1102931583 /nfs/dbraw/zinc/93/15/83/1102931583.db2.gz DENUOGFOMFPKQM-UHFFFAOYSA-N -1 3 372.424 4.125 20 30 FIEDHM N#Cc1ccccc1COc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000426805481 1102987988 /nfs/dbraw/zinc/98/79/88/1102987988.db2.gz BVZKKCVEPRKORM-JOCHJYFZSA-N -1 3 372.424 4.053 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c(F)c1 ZINC000507970882 1105283934 /nfs/dbraw/zinc/28/39/34/1105283934.db2.gz PIADDAOCVFSGIL-UHFFFAOYSA-N -1 3 352.390 4.165 20 30 FIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cn(CC(C)C)c4ccccc34)nc1-2 ZINC000530946942 1107418825 /nfs/dbraw/zinc/41/88/25/1107418825.db2.gz FCQHJRFSGAWGQB-MRXNPFEDSA-N -1 3 371.444 4.367 20 30 FIEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000525934719 1109565294 /nfs/dbraw/zinc/56/52/94/1109565294.db2.gz QORXANAOIWHCSW-NHCUHLMSSA-N -1 3 356.425 4.457 20 30 FIEDHM Cc1ccc(C)c(C(=O)c2ccccc2C([O-])=C(C#N)c2ccccn2)c1 ZINC000041482515 1111479755 /nfs/dbraw/zinc/47/97/55/1111479755.db2.gz JGNWENMJVJYNJR-FQEVSTJZSA-N -1 3 354.409 4.420 20 30 FIEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)o1 ZINC000128727675 1113362116 /nfs/dbraw/zinc/36/21/16/1113362116.db2.gz QNSZUWGHAWVITR-KRWDZBQOSA-N -1 3 352.434 4.236 20 30 FIEDHM CN(C)c1cc(C([O-])=C(C#N)c2nccc3ccccc32)c2ccccc2n1 ZINC000483210999 1113466087 /nfs/dbraw/zinc/46/60/87/1113466087.db2.gz FRMSJFZZSBEYOU-LJQANCHMSA-N -1 3 366.424 4.339 20 30 FIEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nccc2ccccc21 ZINC000483231804 1113472921 /nfs/dbraw/zinc/47/29/21/1113472921.db2.gz GCFKDKHFSAFBQH-QGZVFWFLSA-N -1 3 356.360 4.254 20 30 FIEDHM Cc1csc(C(C#N)=C([O-])c2cc3ccccc3n2CC(F)(F)F)n1 ZINC000489883691 1114182081 /nfs/dbraw/zinc/18/20/81/1114182081.db2.gz JDYCAWFSWPMGNQ-LBPRGKRZSA-N -1 3 363.364 4.459 20 30 FIEDHM COC(=O)c1cc(N=Cc2cc(Br)ccc2[O-])ccc1Cl ZINC000912787374 1114198667 /nfs/dbraw/zinc/19/86/67/1114198667.db2.gz LYDAQAWKGBIZSK-UHFFFAOYSA-N -1 3 368.614 4.345 20 30 FIEDHM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2)c1 ZINC000586800063 1114395578 /nfs/dbraw/zinc/39/55/78/1114395578.db2.gz LMXPGJMSSVOWPA-UHFFFAOYSA-N -1 3 364.298 4.092 20 30 FIEDHM C[C@H]1Cc2sc([N-]C(=O)c3snnc3C3CC3)c(C#N)c2[C@H](C)C1 ZINC000591005043 1115009059 /nfs/dbraw/zinc/00/90/59/1115009059.db2.gz FHEMIZXDEQBSQQ-RKDXNWHRSA-N -1 3 358.492 4.287 20 30 FIEDHM COc1ccc(C=NNc2ccc(Cl)cc2)c(Br)c1[O-] ZINC000760997936 1115266513 /nfs/dbraw/zinc/26/65/13/1115266513.db2.gz XPCAJOQUNSNEMQ-UHFFFAOYSA-N -1 3 355.619 4.263 20 30 FIEDHM CCOc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1OC ZINC000592975364 1115272945 /nfs/dbraw/zinc/27/29/45/1115272945.db2.gz CCAIYFCRVKWTFB-ZDUSSCGKSA-N -1 3 370.405 4.333 20 30 FIEDHM COC(=O)c1oc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C ZINC000599408641 1115814774 /nfs/dbraw/zinc/81/47/74/1115814774.db2.gz ABUMSRRNKFGZHP-GFCCVEGCSA-N -1 3 358.419 4.021 20 30 FIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(C)C)n(C(C)(C)C)n3)nc21 ZINC000605363198 1115891129 /nfs/dbraw/zinc/89/11/29/1115891129.db2.gz OIYNYDIPGUWWIZ-CQSZACIVSA-N -1 3 363.465 4.436 20 30 FIEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000606916269 1115983305 /nfs/dbraw/zinc/98/33/05/1115983305.db2.gz HUSBKCBYIQFISD-UHFFFAOYSA-N -1 3 354.454 4.368 20 30 FIEDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000608955240 1116138020 /nfs/dbraw/zinc/13/80/20/1116138020.db2.gz CHXAGTQNIDCLFQ-UHFFFAOYSA-N -1 3 364.426 4.460 20 30 FIEDHM N#C[C@@H]([N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccccc1F ZINC000464405220 1118553179 /nfs/dbraw/zinc/55/31/79/1118553179.db2.gz NKBOONYNJHJRDS-CYBMUJFWSA-N -1 3 358.241 4.117 20 30 FIEDHM C=CCCC[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000913696357 1118972632 /nfs/dbraw/zinc/97/26/32/1118972632.db2.gz ICOIXTIYLBIYJY-LJQANCHMSA-N -1 3 365.477 4.206 20 30 FIEDHM CC(=O)Nc1cccc([C@@H](C)/N=C\c2cc(Br)ccc2[O-])c1 ZINC000914557273 1120361736 /nfs/dbraw/zinc/36/17/36/1120361736.db2.gz OJLBDCZUZSFPBK-XEQXHXIFSA-N -1 3 361.239 4.293 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc2c1O[C@H](C)C2 ZINC000915099345 1120802984 /nfs/dbraw/zinc/80/29/84/1120802984.db2.gz QRDWYWWBUPIVEK-BXUZGUMPSA-N -1 3 364.426 4.118 20 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Cc1ccc(NC(=O)c2ccccc2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255687839 1083403548 /nfs/dbraw/zinc/40/35/48/1083403548.db2.gz FAMRYOYKNJTFKE-UHFFFAOYSA-N -1 3 362.385 4.115 20 30 FIEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000092828703 1083764135 /nfs/dbraw/zinc/76/41/35/1083764135.db2.gz XZJYLYYYIAFCNQ-UHFFFAOYSA-N -1 3 371.425 4.120 20 30 FIEDHM CC(N=Nc1nc(C(F)(F)F)nc2ccccc21)c1ccc([O-])c(F)c1 ZINC000728425894 1083983979 /nfs/dbraw/zinc/98/39/79/1083983979.db2.gz OJJISYJUJUHWKT-UHFFFAOYSA-N -1 3 364.302 4.329 20 30 FIEDHM CC(=NNC(=S)Nc1ccccc1C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000728427047 1084012157 /nfs/dbraw/zinc/01/21/57/1084012157.db2.gz GOEPPOZENITGAO-UHFFFAOYSA-N -1 3 371.359 4.261 20 30 FIEDHM CC(=NNC(=S)Nc1ccc(OC(C)C)cc1)c1ccc([O-])c(F)c1 ZINC000728429663 1084053716 /nfs/dbraw/zinc/05/37/16/1084053716.db2.gz LOVDZRUYLDAZOI-UHFFFAOYSA-N -1 3 361.442 4.029 20 30 FIEDHM Cc1ccc(C(=O)N2CCC(/N=C/c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000066255485 1084235101 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N#CCCN(Cc1ccco1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179494525 1088755843 /nfs/dbraw/zinc/75/58/43/1088755843.db2.gz HEFAKLFEAKHAHJ-UHFFFAOYSA-N -1 3 362.385 4.334 20 30 FIEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000119075600 1089622082 /nfs/dbraw/zinc/62/20/82/1089622082.db2.gz BMEUEWPJCTVKBM-ZDUSSCGKSA-N -1 3 350.344 4.148 20 30 FIEDHM Cc1cc(Br)cc2cc(C([O-])=C(C#N)c3ccccn3)oc21 ZINC000122755063 1090035862 /nfs/dbraw/zinc/03/58/62/1090035862.db2.gz QRYKTFHQZYXAGG-ZDUSSCGKSA-N -1 3 355.191 4.389 20 30 FIEDHM Cc1ccccc1-n1ncc(C([O-])=C(C#N)c2ccccn2)c1C(F)(F)F ZINC000041480763 1090225563 /nfs/dbraw/zinc/22/55/63/1090225563.db2.gz GYQYNEHLARHMTI-ZDUSSCGKSA-N -1 3 370.334 4.085 20 30 FIEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1Cl ZINC000534401703 1092888432 /nfs/dbraw/zinc/88/84/32/1092888432.db2.gz XQRFUSPVFBTDJG-ZDUSSCGKSA-N -1 3 361.294 4.053 20 30 FIEDHM Cc1cc2c(o1)c(C([O-])=C(C#N)c1ccccn1)ccc2Br ZINC000443529665 1093244092 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CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436759950 1099275542 /nfs/dbraw/zinc/27/55/42/1099275542.db2.gz IYXUWCUPWDPLLO-UHFFFAOYSA-N -1 3 356.425 4.127 20 30 FIEDHM N#C[C@@H]([N-]C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000161234762 1099435391 /nfs/dbraw/zinc/43/53/91/1099435391.db2.gz CRVMEOKXKYHMAE-CYBMUJFWSA-N -1 3 359.134 4.405 20 30 FIEDHM Cc1nsc([N-]C(=O)c2csc(-c3ccc(Cl)s3)n2)c1C#N ZINC001270192066 1099748767 /nfs/dbraw/zinc/74/87/67/1099748767.db2.gz SZMFYWGLHVDJCI-UHFFFAOYSA-N -1 3 366.880 4.414 20 30 FIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccccc3F)o2)c1 ZINC000127567370 1102003986 /nfs/dbraw/zinc/00/39/86/1102003986.db2.gz ILYFEANHCHZTJJ-INIZCTEOSA-N -1 3 362.360 4.355 20 30 FIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(C)c1Cl ZINC000508660893 1102340991 /nfs/dbraw/zinc/34/09/91/1102340991.db2.gz KSFJKMLTIUQIOY-UHFFFAOYSA-N -1 3 357.841 4.117 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2ccsc21 ZINC000501685890 1102411272 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C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1csc(-c2ccccn2)n1 ZINC000915988099 1121368452 /nfs/dbraw/zinc/36/84/52/1121368452.db2.gz QGHIXQDOQVRTAK-ZDIKFAODSA-N -1 3 352.390 4.433 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001649056937 1121380910 /nfs/dbraw/zinc/38/09/10/1121380910.db2.gz MBWQWWZGLSMDEZ-SFHVURJKSA-N -1 3 373.415 4.453 20 30 FIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000131491585 1121632528 /nfs/dbraw/zinc/63/25/28/1121632528.db2.gz LKPROIXFNNLDBC-XIKOKIGWSA-N -1 3 356.372 4.439 20 30 FIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2ccccc2o1 ZINC000916936699 1121936318 /nfs/dbraw/zinc/93/63/18/1121936318.db2.gz SZJGTXNOTVZRFR-GFCCVEGCSA-N -1 3 356.740 4.186 20 30 FIEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccccn1 ZINC000066507070 1122070524 /nfs/dbraw/zinc/07/05/24/1122070524.db2.gz DFSXXJUFLGAGPX-CYBMUJFWSA-N -1 3 357.200 4.064 20 30 FIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1 ZINC000131569504 1122085866 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C=CC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000186908364 568012166 /nfs/dbraw/zinc/01/21/66/568012166.db2.gz YDBGJWRAKHXFDU-OAHLLOKOSA-N -1 3 360.251 4.131 20 30 FIEDHM C=CC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000186908345 568012173 /nfs/dbraw/zinc/01/21/73/568012173.db2.gz YDBGJWRAKHXFDU-HNNXBMFYSA-N -1 3 360.251 4.131 20 30 FIEDHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C#N)ccc2Cl)c(F)c1F ZINC000569562806 568407601 /nfs/dbraw/zinc/40/76/01/568407601.db2.gz CIGUPJWBJMQXLB-UHFFFAOYSA-N -1 3 352.699 4.084 20 30 FIEDHM CC(=O)Nc1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000255054940 1080704420 /nfs/dbraw/zinc/70/44/20/1080704420.db2.gz UYGWGEMARFKBSU-UHFFFAOYSA-N -1 3 351.175 4.003 20 30 FIEDHM Cc1cc(C(=O)/C=C/c2cnn(Cc3ccccc3Cl)c2)ccc1[O-] ZINC000728232961 1080707155 /nfs/dbraw/zinc/70/71/55/1080707155.db2.gz YYVUBEYAVVFXGU-SOFGYWHQSA-N -1 3 352.821 4.495 20 30 FIEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)c(Br)cc1O ZINC000728232510 1080724668 /nfs/dbraw/zinc/72/46/68/1080724668.db2.gz 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CC1(C)COc2c1cccc2C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000434613679 1088854833 /nfs/dbraw/zinc/85/48/33/1088854833.db2.gz DZBGSLRXUFVANC-CYBMUJFWSA-N -1 3 360.335 4.260 20 30 FIEDHM Cc1csc([N-]C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c1C#N ZINC000515249248 1089913106 /nfs/dbraw/zinc/91/31/06/1089913106.db2.gz CHOUTMKFLFCJPB-UHFFFAOYSA-N -1 3 369.425 4.024 20 30 FIEDHM Cc1cc2cc(C([O-])=C(C#N)c3ccccn3)oc2c(Br)c1 ZINC000122753501 1090037356 /nfs/dbraw/zinc/03/73/56/1090037356.db2.gz VPMFPGVGDUDOME-GFCCVEGCSA-N -1 3 355.191 4.389 20 30 FIEDHM Cc1nc(-c2ccc(F)c(F)c2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000182060281 1090045589 /nfs/dbraw/zinc/04/55/89/1090045589.db2.gz SEPMZKULRFAGKE-GFCCVEGCSA-N -1 3 355.369 4.282 20 30 FIEDHM Cc1cc(O[C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1C(C)C ZINC000051266447 1090153650 /nfs/dbraw/zinc/15/36/50/1090153650.db2.gz ZRQYLDIDUFLTOB-SNVBAGLBSA-N -1 3 356.348 4.311 20 30 FIEDHM Cc1cc(O[C@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1C(C)C ZINC000051266447 1090153660 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FIEDHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329369535 1094866490 /nfs/dbraw/zinc/86/64/90/1094866490.db2.gz AKOIGNSUXXAFJY-WQVCFCJDSA-N -1 3 372.856 4.261 20 30 FIEDHM O=C(CC1(C(F)(F)F)CC1)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000504329659 1096750695 /nfs/dbraw/zinc/75/06/95/1096750695.db2.gz PICUBEBFVQFIDO-LLVKDONJSA-N -1 3 361.232 4.417 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Cn3ccnc3)c2)n1 ZINC000436698157 1099229518 /nfs/dbraw/zinc/22/95/18/1099229518.db2.gz OQPHQJWOFRSPCF-MRXNPFEDSA-N -1 3 350.447 4.001 20 30 FIEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000438953657 1101044341 /nfs/dbraw/zinc/04/43/41/1101044341.db2.gz BKQSYKPDEFJDRU-QGZVFWFLSA-N -1 3 372.421 4.204 20 30 FIEDHM Cc1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(C)s1 ZINC000760240715 1101941680 /nfs/dbraw/zinc/94/16/80/1101941680.db2.gz GWHIBCPDKUYXHC-UHFFFAOYSA-N -1 3 360.533 4.420 20 30 FIEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)c(Br)cc2F)c(F)c1 ZINC000160768549 1102459731 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C[C@H]1CCCc2ncc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)n21 ZINC001649026254 1121265355 /nfs/dbraw/zinc/26/53/55/1121265355.db2.gz VMNQFRMTBQIMBS-JTQLQIEISA-N -1 3 354.237 4.119 20 30 FIEDHM O=C(c1ccc(-c2c[nH]cn2)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026249 1121265424 /nfs/dbraw/zinc/26/54/24/1121265424.db2.gz VLIHVYXKIVUVMV-UHFFFAOYSA-N -1 3 362.216 4.415 20 30 FIEDHM O=C(c1cc(Br)cs1)N([O-])CCCCc1ccccc1 ZINC001649046223 1121306157 /nfs/dbraw/zinc/30/61/57/1121306157.db2.gz NWGGBVYVILHRNS-UHFFFAOYSA-N -1 3 354.269 4.365 20 30 FIEDHM CC(C)(C)OC(=O)[C@H](C(=O)N([O-])CCCCc1ccccc1)C(C)(C)C ZINC001649052245 1121344107 /nfs/dbraw/zinc/34/41/07/1121344107.db2.gz VGPRWNRSWTWYRP-KRWDZBQOSA-N -1 3 363.498 4.231 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccccc2OCc2cccnc2)ccc1[O-] ZINC000915985861 1121365966 /nfs/dbraw/zinc/36/59/66/1121365966.db2.gz YQMATDWMAMJKCA-NTMALXAHSA-N -1 3 361.397 4.271 20 30 FIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1csc(-c2ccccn2)n1 ZINC000915988098 1121368060 /nfs/dbraw/zinc/36/80/60/1121368060.db2.gz QGHIXQDOQVRTAK-UVIKPUKZSA-N -1 3 352.390 4.433 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C2CCCCC2)CC1 ZINC000916440032 1121501344 /nfs/dbraw/zinc/50/13/44/1121501344.db2.gz WUCWBZDNZULZQN-UHFFFAOYSA-N -1 3 369.509 4.027 20 30 FIEDHM Cc1c(C(=O)N([O-])Cc2cccc3ccccc32)cnn1CCC(C)C ZINC001649069873 1121541811 /nfs/dbraw/zinc/54/18/11/1121541811.db2.gz KOQZIRSYZQCKEB-UHFFFAOYSA-N -1 3 351.450 4.422 20 30 FIEDHM COc1cc(C(=O)N([O-])Cc2cccc3ccccc32)c2ccccc2n1 ZINC001649070194 1121542324 /nfs/dbraw/zinc/54/23/24/1121542324.db2.gz VDCPVCFWXYBHOQ-UHFFFAOYSA-N -1 3 358.397 4.428 20 30 FIEDHM Cn1ncc(C(=O)N([O-])Cc2cccc3ccccc32)c1Cc1ccccc1 ZINC001649070136 1121542505 /nfs/dbraw/zinc/54/25/05/1121542505.db2.gz SBPYLMTZIBOSQN-UHFFFAOYSA-N -1 3 371.440 4.196 20 30 FIEDHM O=C(Cc1ccc(OCc2ccccc2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001649069898 1121542538 /nfs/dbraw/zinc/54/25/38/1121542538.db2.gz LDWJQHYDWPSYKC-UHFFFAOYSA-N -1 3 365.404 4.365 20 30 FIEDHM O=C([C@@H]1CCOc2c(F)cccc21)N([O-])Cc1cccc2ccccc21 ZINC001649070387 1121543969 /nfs/dbraw/zinc/54/39/69/1121543969.db2.gz YYGHPODAZHNOFX-GOSISDBHSA-N -1 3 351.377 4.263 20 30 FIEDHM CCC(=NN=c1[nH]c2ccccc2[nH]1)c1cc(Br)ccc1[O-] ZINC000916581170 1121555746 /nfs/dbraw/zinc/55/57/46/1121555746.db2.gz OYTNLNCPVNQMHW-UHFFFAOYSA-N -1 3 359.227 4.257 20 30 FIEDHM Cc1ccc(-c2cncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2)cc1 ZINC000124416915 1121692534 /nfs/dbraw/zinc/69/25/34/1121692534.db2.gz MJEIRYUWJHYKKF-GOSISDBHSA-N -1 3 352.397 4.423 20 30 FIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1 ZINC000131499341 1121739965 /nfs/dbraw/zinc/73/99/65/1121739965.db2.gz QYDGQMIOQNKHGG-BDJLRTHQSA-N -1 3 355.463 4.235 20 30 FIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3)oc2C)cc1 ZINC000916908934 1121930888 /nfs/dbraw/zinc/93/08/88/1121930888.db2.gz GNMBRLRUQZWCDS-GOSISDBHSA-N -1 3 373.412 4.174 20 30 FIEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000916913044 1121932875 /nfs/dbraw/zinc/93/28/75/1121932875.db2.gz VDGIDXRWNYDICL-LLVKDONJSA-N -1 3 361.854 4.019 20 30 FIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2ccccc2o1 ZINC000916936700 1121936221 /nfs/dbraw/zinc/93/62/21/1121936221.db2.gz SZJGTXNOTVZRFR-LBPRGKRZSA-N -1 3 356.740 4.186 20 30 FIEDHM CC(C)(C)c1cc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c(C#N)s1 ZINC000091208580 1122251144 /nfs/dbraw/zinc/25/11/44/1122251144.db2.gz AZUSJAUANCEQGQ-NSHDSACASA-N -1 3 361.492 4.478 20 30 FIEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc([O-])c1F ZINC000128362307 1122258443 /nfs/dbraw/zinc/25/84/43/1122258443.db2.gz NBIHMMLNRCRLFJ-UHFFFAOYSA-N -1 3 355.287 4.367 20 30 FIEDHM Cc1ncc(CO)c(C=Nc2ccc(Oc3cccc(F)c3)cc2)c1[O-] ZINC000917558759 1122353257 /nfs/dbraw/zinc/35/32/57/1122353257.db2.gz XKQCVFVLAWWUMT-UHFFFAOYSA-N -1 3 352.365 4.270 20 30 FIEDHM Cc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000194792909 1122832877 /nfs/dbraw/zinc/83/28/77/1122832877.db2.gz KKPYMMOHGUSHCG-JTQLQIEISA-N -1 3 360.508 4.183 20 30 FIEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2-c2cc3ccccc3o2)ccc1[O-] ZINC000920065324 1123325279 /nfs/dbraw/zinc/32/52/79/1123325279.db2.gz VTENXURAURTSEM-HJWRWDBZSA-N -1 3 374.396 4.444 20 30 FIEDHM CCOc1cc(/C=C2\COc3c(F)cc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000920066092 1123326464 /nfs/dbraw/zinc/32/64/64/1123326464.db2.gz LILLXXRZVLUUAO-XCVCLJGOSA-N -1 3 366.747 4.381 20 30 FIEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)COc1cccc(Cl)c1Cl ZINC000920387097 1123450560 /nfs/dbraw/zinc/45/05/60/1123450560.db2.gz KAQORCSLEULZJV-QPSQBJGBSA-N -1 3 374.651 4.211 20 30 FIEDHM CCOc1ccc(N=Cc2cc(Br)ccc2[O-])cc1OC ZINC000920947672 1123540930 /nfs/dbraw/zinc/54/09/30/1123540930.db2.gz QMSZBFYPRDHDQD-UHFFFAOYSA-N -1 3 350.212 4.313 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC1CCCC1 ZINC000181462608 1124944698 /nfs/dbraw/zinc/94/46/98/1124944698.db2.gz BBWXTPUEHARSBW-HNNXBMFYSA-N -1 3 356.447 4.272 20 30 FIEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186627408 567961010 /nfs/dbraw/zinc/96/10/10/567961010.db2.gz HFZYRXIJXNMPQS-UHFFFAOYSA-N -1 3 364.445 4.025 20 30 FIEDHM CCc1cc([O-])ccc1NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000481556129 568047702 /nfs/dbraw/zinc/04/77/02/568047702.db2.gz IOEKXJCICHQQCB-UHFFFAOYSA-N -1 3 353.447 4.073 20 30 FIEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128663731 568134466 /nfs/dbraw/zinc/13/44/66/568134466.db2.gz OKGNPYJIYJFQIY-UHFFFAOYSA-N -1 3 362.360 4.234 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cc1C(F)(F)F ZINC000568795476 568221977 /nfs/dbraw/zinc/22/19/77/568221977.db2.gz QICUQTOHDKIZEP-UHFFFAOYSA-N -1 3 374.771 4.172 20 30 FIEDHM COc1c(Br)ccc(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001212492640 1125533373 /nfs/dbraw/zinc/53/33/73/1125533373.db2.gz GLNZKACUMBCJNT-UHFFFAOYSA-N -1 3 355.138 4.057 20 30 FIEDHM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000160193419 1079587020 /nfs/dbraw/zinc/58/70/20/1079587020.db2.gz LITMPNHGIDOTOI-WFASDCNBSA-N -1 3 355.463 4.180 20 30 FIEDHM N#Cc1c2c(sc1[N-]C(=O)c1cnc([C@H]3CCCO3)s1)CCCCC2 ZINC000134606920 1080317490 /nfs/dbraw/zinc/31/74/90/1080317490.db2.gz GDVRJPJLOBPQCX-CYBMUJFWSA-N -1 3 373.503 4.449 20 30 FIEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2cccc(C)c2)c(OC)cc1[O-] ZINC000255050905 1080661734 /nfs/dbraw/zinc/66/17/34/1080661734.db2.gz SHYKNGFIKUHRCG-FPLPWBNLSA-N -1 3 364.401 4.004 20 30 FIEDHM COc1cc(Br)c(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1O ZINC000728232039 1080671848 /nfs/dbraw/zinc/67/18/48/1080671848.db2.gz RHNOJOYADZMJEE-ZZXKWVIFSA-N -1 3 363.207 4.073 20 30 FIEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000255122598 1081293166 /nfs/dbraw/zinc/29/31/66/1081293166.db2.gz LKGLKHZKGXZIBS-CKXPSTMWSA-N -1 3 355.319 4.460 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1C ZINC000430595749 1082548359 /nfs/dbraw/zinc/54/83/59/1082548359.db2.gz VMCSEYHIUVIIGH-CYBMUJFWSA-N -1 3 358.463 4.256 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(-n3cccn3)c2)s1 ZINC000430606809 1082602718 /nfs/dbraw/zinc/60/27/18/1082602718.db2.gz ATTVULUZMPTBGT-HNNXBMFYSA-N -1 3 350.447 4.116 20 30 FIEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC000121570975 1083161130 /nfs/dbraw/zinc/16/11/30/1083161130.db2.gz CPXOYCDUMHLAJC-LBPRGKRZSA-N -1 3 356.447 4.015 20 30 FIEDHM COCc1nc2cc(N=Cc3cc(Br)ccc3[O-])ccc2o1 ZINC000255827475 1083554566 /nfs/dbraw/zinc/55/45/66/1083554566.db2.gz DZDLTLHQOWXIQU-UHFFFAOYSA-N -1 3 361.195 4.193 20 30 FIEDHM COc1cc(C(=O)/C=C\c2sccc2Br)c(OC)cc1[O-] ZINC000588467768 1083566194 /nfs/dbraw/zinc/56/61/94/1083566194.db2.gz WAYHRLNHVVDKPG-ARJAWSKDSA-N -1 3 369.236 4.130 20 30 FIEDHM Cc1cc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)sc1Cl ZINC000431641214 1083648879 /nfs/dbraw/zinc/64/88/79/1083648879.db2.gz VYAREWCJMXWVCR-CQSZACIVSA-N -1 3 368.911 4.423 20 30 FIEDHM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482513 1083896396 /nfs/dbraw/zinc/89/63/96/1083896396.db2.gz JHUWQDWXXMOZBO-XPSMFNQNSA-N -1 3 362.838 4.043 20 30 FIEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000177601812 1084137795 /nfs/dbraw/zinc/13/77/95/1084137795.db2.gz CRZSMZFJIDKNGQ-LBPRGKRZSA-N -1 3 369.229 4.025 20 30 FIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccc2ccccc2n1 ZINC000255491293 1084699819 /nfs/dbraw/zinc/69/98/19/1084699819.db2.gz BBMMAZNUVVOMGK-MUSGIIIZSA-N -1 3 352.397 4.011 20 30 FIEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000051655349 1084965175 /nfs/dbraw/zinc/96/51/75/1084965175.db2.gz LKGLKHZKGXZIBS-VFNNOXKTSA-N -1 3 355.319 4.460 20 30 FIEDHM COc1cc(C(=O)/C=C/c2c(F)ccc(Br)c2F)ccc1[O-] ZINC000799890546 1085191332 /nfs/dbraw/zinc/19/13/32/1085191332.db2.gz PUVIXPLHXGONDZ-XVNBXDOJSA-N -1 3 369.161 4.338 20 30 FIEDHM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([O-])c2ccccc2c1 ZINC000329521285 1087007970 /nfs/dbraw/zinc/00/79/70/1087007970.db2.gz OUBBJAMSKQMADG-SFHVURJKSA-N -1 3 366.461 4.031 20 30 FIEDHM COc1cc(/C=C\C(=O)c2c(Cl)nc3ccccn32)cc(Cl)c1[O-] ZINC000255585150 1087150295 /nfs/dbraw/zinc/15/02/95/1087150295.db2.gz OPIFQAXBXGLWDZ-WAYWQWQTSA-N -1 3 363.200 4.251 20 30 FIEDHM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)s1 ZINC000414988677 1089034654 /nfs/dbraw/zinc/03/46/54/1089034654.db2.gz PSDOAAKMTBSONH-UHFFFAOYSA-N -1 3 359.476 4.190 20 30 FIEDHM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)C)C3)s1 ZINC000415741047 1089885467 /nfs/dbraw/zinc/88/54/67/1089885467.db2.gz KBHIMKRXFIACMD-LLVKDONJSA-N -1 3 373.503 4.292 20 30 FIEDHM Cc1ccc(-c2nc(NC(=O)c3ccccc3-c3ccccc3C#N)n[n-]2)o1 ZINC000181888978 1090019621 /nfs/dbraw/zinc/01/96/21/1090019621.db2.gz OIXUCFCSZTXNAH-UHFFFAOYSA-N -1 3 369.384 4.164 20 30 FIEDHM Cc1cc(Br)cc2cc(C([O-])=C(C#N)c3ccccn3)oc21 ZINC000122755245 1090045446 /nfs/dbraw/zinc/04/54/46/1090045446.db2.gz QRYKTFHQZYXAGG-CYBMUJFWSA-N -1 3 355.191 4.389 20 30 FIEDHM C=CCOc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417634770 1090946042 /nfs/dbraw/zinc/94/60/42/1090946042.db2.gz VUHQAWKDCQLEGM-SJLPKXTDSA-N -1 3 357.837 4.308 20 30 FIEDHM C=C(C)COc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000417633337 1090946142 /nfs/dbraw/zinc/94/61/42/1090946142.db2.gz UCKFEGFZQUMDQF-OALUTQOASA-N -1 3 367.445 4.053 20 30 FIEDHM C=CCCCCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001211794232 1093335158 /nfs/dbraw/zinc/33/51/58/1093335158.db2.gz LOEXWJLRXIPFPW-UHFFFAOYSA-N -1 3 353.381 4.259 20 30 FIEDHM CCCCOc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(Cl)c1 ZINC000473481016 1093409184 /nfs/dbraw/zinc/40/91/84/1093409184.db2.gz HNPCSECUVIHOJB-INIZCTEOSA-N -1 3 357.841 4.416 20 30 FIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621372 1093659825 /nfs/dbraw/zinc/65/98/25/1093659825.db2.gz QSONICPGIKJBCN-QGZVFWFLSA-N -1 3 361.426 4.260 20 30 FIEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000329038471 1094721191 /nfs/dbraw/zinc/72/11/91/1094721191.db2.gz ZNERUJQCMQQYMB-RBSFLKMASA-N -1 3 350.484 4.253 20 30 FIEDHM CC(C)[C@@H]1N(C(=O)NCc2ccc([O-])c(Br)c2)CC12CCC2 ZINC000330206407 1095417145 /nfs/dbraw/zinc/41/71/45/1095417145.db2.gz FCFWRGGTULWOLD-HNNXBMFYSA-N -1 3 367.287 4.079 20 30 FIEDHM Cc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)c(Br)s1 ZINC000459848070 1101424811 /nfs/dbraw/zinc/42/48/11/1101424811.db2.gz WYKZIQDMRDTFSN-UHFFFAOYSA-N -1 3 356.270 4.016 20 30 FIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3)n2)c1 ZINC000127593955 1102066048 /nfs/dbraw/zinc/06/60/48/1102066048.db2.gz DTINZJQZTUDSQO-INIZCTEOSA-N -1 3 361.426 4.080 20 30 FIEDHM N#Cc1cscc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000507523311 1103467161 /nfs/dbraw/zinc/46/71/61/1103467161.db2.gz AKYOSCBKQHVFQX-AWEZNQCLSA-N -1 3 366.471 4.192 20 30 FIEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1nc2cc(Cl)ccc2s1 ZINC000551772740 1103613539 /nfs/dbraw/zinc/61/35/39/1103613539.db2.gz PVKYTYHOWOZLCH-ZDUSSCGKSA-N -1 3 352.806 4.087 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CCC(C)C)cc1 ZINC000520138702 1104117188 /nfs/dbraw/zinc/11/71/88/1104117188.db2.gz UMHXGGLMQFBXOY-UHFFFAOYSA-N -1 3 365.477 4.436 20 30 FIEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000536458603 1105140349 /nfs/dbraw/zinc/14/03/49/1105140349.db2.gz HCTNHYZKDJKQLP-UHFFFAOYSA-N -1 3 361.637 4.319 20 30 FIEDHM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000467430652 1105278291 /nfs/dbraw/zinc/27/82/91/1105278291.db2.gz RVCWBBQISMNTQH-MRXNPFEDSA-N -1 3 369.490 4.046 20 30 FIEDHM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000508131878 1105328675 /nfs/dbraw/zinc/32/86/75/1105328675.db2.gz LLMCGBOXDUFLPL-UHFFFAOYSA-N -1 3 369.490 4.048 20 30 FIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cn(CC(C)C)c4ccccc34)nc1-2 ZINC000530946941 1107418627 /nfs/dbraw/zinc/41/86/27/1107418627.db2.gz FCQHJRFSGAWGQB-INIZCTEOSA-N -1 3 371.444 4.367 20 30 FIEDHM C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)c2c([O-])cccc21 ZINC000447533127 1109570332 /nfs/dbraw/zinc/57/03/32/1109570332.db2.gz ZCBNTIOYISTQDW-ZDUSSCGKSA-N -1 3 359.385 4.073 20 30 FIEDHM CCCOc1ccc(C([O-])=C(C#N)c2ccncn2)c(OC2CCCC2)c1 ZINC000482900793 1113392514 /nfs/dbraw/zinc/39/25/14/1113392514.db2.gz SVSZVZRRQDEVBM-SFHVURJKSA-N -1 3 365.433 4.077 20 30 FIEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nccc2ccccc21 ZINC000483231801 1113473028 /nfs/dbraw/zinc/47/30/28/1113473028.db2.gz GCFKDKHFSAFBQH-KRWDZBQOSA-N -1 3 356.360 4.254 20 30 FIEDHM COc1cc(C(=O)/C=C/c2cnn(Cc3ccccc3Cl)c2)ccc1[O-] ZINC000028621359 1114003726 /nfs/dbraw/zinc/00/37/26/1114003726.db2.gz FCUKNNRSHBMCMA-SOFGYWHQSA-N -1 3 368.820 4.195 20 30 FIEDHM COc1cc(/C=C/C(=O)c2c(Cl)nc3ccccn32)cc(Cl)c1[O-] ZINC000150957439 1114241506 /nfs/dbraw/zinc/24/15/06/1114241506.db2.gz OPIFQAXBXGLWDZ-AATRIKPKSA-N -1 3 363.200 4.251 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC000592696833 1115257199 /nfs/dbraw/zinc/25/71/99/1115257199.db2.gz HAAUJBPWKDKIOL-OAQYLSRUSA-N -1 3 369.509 4.074 20 30 FIEDHM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000596021505 1115572140 /nfs/dbraw/zinc/57/21/40/1115572140.db2.gz PXDIDJPOJBBHMC-KRWDZBQOSA-N -1 3 374.362 4.176 20 30 FIEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ncnc4ccsc43)sc2C1 ZINC000598799566 1115754734 /nfs/dbraw/zinc/75/47/34/1115754734.db2.gz HKYMORRKBNHWHS-VIFPVBQESA-N -1 3 354.460 4.002 20 30 FIEDHM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cs1 ZINC000171365496 1115863838 /nfs/dbraw/zinc/86/38/38/1115863838.db2.gz NWQVIARCBLDHRL-MRXNPFEDSA-N -1 3 361.426 4.080 20 30 FIEDHM CSc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c2ccccn12 ZINC000608552872 1116115196 /nfs/dbraw/zinc/11/51/96/1116115196.db2.gz XACUQBLZRHLGQJ-AWEZNQCLSA-N -1 3 358.426 4.094 20 30 FIEDHM C=CC[C@@H](C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)c1ccccc1 ZINC000186795004 1119749280 /nfs/dbraw/zinc/74/92/80/1119749280.db2.gz MSMCMHWNJVDVBX-HXUWFJFHSA-N -1 3 373.456 4.298 20 30 FIEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000193770278 1121062128 /nfs/dbraw/zinc/06/21/28/1121062128.db2.gz FLQNPRXNXTUXLL-GFCCVEGCSA-N -1 3 359.307 4.069 20 30 FIEDHM COc1cc(C(=O)/C=C\c2cccc3c2OC(C)(C)C3)c(OC)cc1[O-] ZINC000763105387 1121118922 /nfs/dbraw/zinc/11/89/22/1121118922.db2.gz PRFPZHJPJBRZHE-HJWRWDBZSA-N -1 3 354.402 4.019 20 30 FIEDHM COc1cc(C(=O)/C=C/c2nc(C(C)C)n3ccccc23)c(OC)cc1[O-] ZINC000763107836 1121119617 /nfs/dbraw/zinc/11/96/17/1121119617.db2.gz YLEDOYMVTNJKTM-CMDGGOBGSA-N -1 3 366.417 4.077 20 30 FIEDHM COc1cccc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000194319193 1121261799 /nfs/dbraw/zinc/26/17/99/1121261799.db2.gz JKYGVJWXEAQACO-LBPRGKRZSA-N -1 3 371.418 4.107 20 30 FIEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000915982275 1121362028 /nfs/dbraw/zinc/36/20/28/1121362028.db2.gz VLZIMBZLDHQIAH-BPXUPMHTSA-N -1 3 373.250 4.220 20 30 FIEDHM CCOc1ccc(C=Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c(O)c1 ZINC000915983385 1121364311 /nfs/dbraw/zinc/36/43/11/1121364311.db2.gz ZWTPAGZERONJGS-UHFFFAOYSA-N -1 3 363.417 4.267 20 30 FIEDHM COc1cc(C=NNc2cccc3ncccc32)cc(Br)c1[O-] ZINC000915964548 1121365181 /nfs/dbraw/zinc/36/51/81/1121365181.db2.gz CBSJIWNWVMSWCY-UHFFFAOYSA-N -1 3 372.222 4.158 20 30 FIEDHM CCCCN([O-])C(=O)c1cnc(-c2ccccc2Br)s1 ZINC001649061789 1121451316 /nfs/dbraw/zinc/45/13/16/1121451316.db2.gz ZJIGGICKCAIONY-UHFFFAOYSA-N -1 3 355.257 4.204 20 30 FIEDHM S=c1[n-]nc(SCc2ccccc2)n1N=CC=Cc1ccccc1 ZINC000916368637 1121482479 /nfs/dbraw/zinc/48/24/79/1121482479.db2.gz LBEPPFVERRLRJM-USDPNEGZSA-N -1 3 352.488 4.406 20 30 FIEDHM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001649069626 1121543150 /nfs/dbraw/zinc/54/31/50/1121543150.db2.gz FNPDZSYWWRQZKK-LBPRGKRZSA-N -1 3 371.330 4.321 20 30 FIEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000130454842 1121586311 /nfs/dbraw/zinc/58/63/11/1121586311.db2.gz LUZMTEJVQUTLBU-GFCCVEGCSA-N -1 3 368.245 4.028 20 30 FIEDHM Cc1ccc(-c2cncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2)cc1 ZINC000124417149 1121692632 /nfs/dbraw/zinc/69/26/32/1121692632.db2.gz MJEIRYUWJHYKKF-SFHVURJKSA-N -1 3 352.397 4.423 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000225227038 1122219087 /nfs/dbraw/zinc/21/90/87/1122219087.db2.gz GNYJWJSYEJUOLF-UHFFFAOYSA-N -1 3 361.637 4.319 20 30 FIEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(Br)co3)sc2C1 ZINC000556789494 1123091556 /nfs/dbraw/zinc/09/15/56/1123091556.db2.gz IIOCSCLHDHBQQI-QMMMGPOBSA-N -1 3 365.252 4.352 20 30 FIEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(-c2ccccc2F)s1 ZINC000920383030 1123449811 /nfs/dbraw/zinc/44/98/11/1123449811.db2.gz FERGCUAFQBUYDI-UHFFFAOYSA-N -1 3 374.462 4.008 20 30 FIEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000920383322 1123450067 /nfs/dbraw/zinc/45/00/67/1123450067.db2.gz IZJUUGWQAYGOLS-UHFFFAOYSA-N -1 3 374.849 4.054 20 30 FIEDHM COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)cc(Br)c1[O-] ZINC000921263614 1123606899 /nfs/dbraw/zinc/60/68/99/1123606899.db2.gz HPMUPCSURQWGRD-MLPAPPSSSA-N -1 3 359.219 4.294 20 30 FIEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2)nc1 ZINC000609548542 1123754426 /nfs/dbraw/zinc/75/44/26/1123754426.db2.gz INXXZCVNJBSGBW-UHFFFAOYSA-N -1 3 365.776 4.357 20 30 FIEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000079172708 1123862192 /nfs/dbraw/zinc/86/21/92/1123862192.db2.gz NNGALYPXVUYICA-INIZCTEOSA-N -1 3 358.463 4.172 20 30 FIEDHM Cc1nc(-c2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)cs1 ZINC000079988482 1123942309 /nfs/dbraw/zinc/94/23/09/1123942309.db2.gz YVOHCPSHVRASMD-UHFFFAOYSA-N -1 3 351.391 4.133 20 30 FIEDHM CCCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)CCC ZINC000067935834 1123997476 /nfs/dbraw/zinc/99/74/76/1123997476.db2.gz GPJBHZMIOVYSRJ-HNNXBMFYSA-N -1 3 359.514 4.003 20 30 FIEDHM C[C@]([N-]C(=O)c1ccc(F)c(F)c1F)(c1ccc(F)cc1)C(F)(F)F ZINC000542869021 1124529598 /nfs/dbraw/zinc/52/95/98/1124529598.db2.gz QJSQKDMYBMCPDP-HNNXBMFYSA-N -1 3 365.248 4.451 20 30 FIEDHM C[C@@]([N-]C(=O)c1ccc(F)c(F)c1F)(c1ccc(F)cc1)C(F)(F)F ZINC000542869024 1124529816 /nfs/dbraw/zinc/52/98/16/1124529816.db2.gz QJSQKDMYBMCPDP-OAHLLOKOSA-N -1 3 365.248 4.451 20 30 FIEDHM Cc1ccc(-c2nc(C(=O)[N-]c3sc4c(c3C#N)CCC4)cs2)o1 ZINC000075488278 1124897523 /nfs/dbraw/zinc/89/75/23/1124897523.db2.gz ADOBXMMXMHEIGY-UHFFFAOYSA-N -1 3 355.444 4.386 20 30 FIEDHM N#CCc1ccc([N+](=O)[O-])c(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168525985 1124920960 /nfs/dbraw/zinc/92/09/60/1124920960.db2.gz ODBKSCDIMZXRAW-UHFFFAOYSA-N -1 3 368.780 4.180 20 30 FIEDHM Cc1c2cccc(Br)c2oc1C([O-])=C(C#N)c1ccccn1 ZINC000542950547 1124963717 /nfs/dbraw/zinc/96/37/17/1124963717.db2.gz ONWPJWLEJQKOLX-LBPRGKRZSA-N -1 3 355.191 4.389 20 30 FIEDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1 ZINC000554942772 1124980341 /nfs/dbraw/zinc/98/03/41/1124980341.db2.gz NASVQMCOHBKHRA-UHFFFAOYSA-N -1 3 373.434 4.476 20 30 FIEDHM CNC(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543020024 1125426165 /nfs/dbraw/zinc/42/61/65/1125426165.db2.gz CTEQNQGZFIIAID-MRVPVSSYSA-N -1 3 368.199 4.257 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000103193979 209495193 /nfs/dbraw/zinc/49/51/93/209495193.db2.gz HSMSPQFNUZVNBP-UHFFFAOYSA-N -1 3 360.744 4.031 20 30 FIEDHM N#Cc1c([N-]C(=O)c2sccc2Br)sc2c1CCC2 ZINC000070163988 221331700 /nfs/dbraw/zinc/33/17/00/221331700.db2.gz AKYSXHWTDMCAFD-UHFFFAOYSA-N -1 3 353.266 4.185 20 30 FIEDHM C=CCN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)c1ccccc1 ZINC000647741949 568286732 /nfs/dbraw/zinc/28/67/32/568286732.db2.gz RTSNHINKRXTBOS-UHFFFAOYSA-N -1 3 357.409 4.456 20 30 FIEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc(-c4ccccc4F)co3)on2)c1 ZINC000482137181 568287568 /nfs/dbraw/zinc/28/75/68/568287568.db2.gz IIMTVSYURRGUKD-UHFFFAOYSA-N -1 3 374.331 4.260 20 30 FIEDHM COc1cc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c(OC)cc1[O-] ZINC000254955151 1080091904 /nfs/dbraw/zinc/09/19/04/1080091904.db2.gz ADTUPHCXZDXQSV-HJWRWDBZSA-N -1 3 361.397 4.368 20 30 FIEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)cn1)c1ccc2ccccc2n1 ZINC000683689487 1081386976 /nfs/dbraw/zinc/38/69/76/1081386976.db2.gz WWNXACFEIWOFMZ-AWEZNQCLSA-N -1 3 371.318 4.061 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc(OC)c1C ZINC000430595752 1082548728 /nfs/dbraw/zinc/54/87/28/1082548728.db2.gz VMCSEYHIUVIIGH-ZDUSSCGKSA-N -1 3 358.463 4.256 20 30 FIEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccnc(Cl)c1 ZINC000255323707 1082674005 /nfs/dbraw/zinc/67/40/05/1082674005.db2.gz OIINUYMGYXRLCC-IDTUSYRASA-N -1 3 363.804 4.130 20 30 FIEDHM Cn1cc(-c2ncc(C(=O)[N-]c3cc(C(C)(C)C)sc3C#N)s2)cn1 ZINC000179551277 1083557018 /nfs/dbraw/zinc/55/70/18/1083557018.db2.gz JISZVPVKZFNLLP-UHFFFAOYSA-N -1 3 371.491 4.027 20 30 FIEDHM C=CCC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000431271379 1084081729 /nfs/dbraw/zinc/08/17/29/1084081729.db2.gz YNFAQPMVTHWGJG-UHFFFAOYSA-N -1 3 372.490 4.337 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccc(Br)s2)c(OC)cc1[O-] ZINC000255549470 1085743472 /nfs/dbraw/zinc/74/34/72/1085743472.db2.gz KXJVBSLYUCHXPA-HYXAFXHYSA-N -1 3 369.236 4.130 20 30 FIEDHM COc1c(F)ccc(F)c1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000150920467 1086584405 /nfs/dbraw/zinc/58/44/05/1086584405.db2.gz IOVKRCDORHCJCN-LLVKDONJSA-N -1 3 362.401 4.477 20 30 FIEDHM Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c([O-])c1 ZINC000425091026 1088755329 /nfs/dbraw/zinc/75/53/29/1088755329.db2.gz WEMJFIWQPWAFBA-ZDUSSCGKSA-N -1 3 362.351 4.274 20 30 FIEDHM N#Cc1c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)sc2c1CCC2 ZINC000515285072 1089937803 /nfs/dbraw/zinc/93/78/03/1089937803.db2.gz OCCHZTUAOPNWDK-UHFFFAOYSA-N -1 3 353.359 4.015 20 30 FIEDHM CCCCc1ccc(C(=O)CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000051266615 1090153732 /nfs/dbraw/zinc/15/37/32/1090153732.db2.gz WURDYIOLQQOODN-UHFFFAOYSA-N -1 3 368.359 4.417 20 30 FIEDHM CCCCc1ccc(C(=O)CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000051266615 1090153738 /nfs/dbraw/zinc/15/37/38/1090153738.db2.gz WURDYIOLQQOODN-UHFFFAOYSA-N -1 3 368.359 4.417 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1OC ZINC000041535362 1090238541 /nfs/dbraw/zinc/23/85/41/1090238541.db2.gz QGMQBEWRYDQUEH-OAHLLOKOSA-N -1 3 364.426 4.317 20 30 FIEDHM O=C(CCC(F)(F)F)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000511704653 1091549316 /nfs/dbraw/zinc/54/93/16/1091549316.db2.gz SQHQWICYIFTAEP-JTQLQIEISA-N -1 3 365.220 4.350 20 30 FIEDHM CC(C)=CCOc1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429579593 1092336156 /nfs/dbraw/zinc/33/61/56/1092336156.db2.gz RHDZMPXDFKFUHQ-KRWDZBQOSA-N -1 3 360.417 4.101 20 30 FIEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000442622516 1092702203 /nfs/dbraw/zinc/70/22/03/1092702203.db2.gz VXDKUOVZSWVXMU-LBPRGKRZSA-N -1 3 352.287 4.128 20 30 FIEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000442622512 1092702518 /nfs/dbraw/zinc/70/25/18/1092702518.db2.gz VXDKUOVZSWVXMU-GFCCVEGCSA-N -1 3 352.287 4.128 20 30 FIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1 ZINC000178706846 1093131692 /nfs/dbraw/zinc/13/16/92/1093131692.db2.gz MDOCYGCTEMMRMW-INIZCTEOSA-N -1 3 355.463 4.064 20 30 FIEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1noc2c1C[C@H](C)CC2 ZINC000433975283 1094225957 /nfs/dbraw/zinc/22/59/57/1094225957.db2.gz FJKVPWDXNYVJTG-CHWSQXEVSA-N -1 3 355.463 4.446 20 30 FIEDHM Cc1ccc(Cl)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000434017983 1094240670 /nfs/dbraw/zinc/24/06/70/1094240670.db2.gz WFJLUJFZAJKKSY-UHFFFAOYSA-N -1 3 357.841 4.117 20 30 FIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000041516483 1094641416 /nfs/dbraw/zinc/64/14/16/1094641416.db2.gz XUKQCUKAVZVZSP-QGZVFWFLSA-N -1 3 361.426 4.194 20 30 FIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)s2)c1 ZINC000127779858 1099535858 /nfs/dbraw/zinc/53/58/58/1099535858.db2.gz DSPVTWGEBAFZGG-MRXNPFEDSA-N -1 3 361.426 4.080 20 30 FIEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 ZINC000438778358 1100914033 /nfs/dbraw/zinc/91/40/33/1100914033.db2.gz ZMWUUEANYVCKPH-UHFFFAOYSA-N -1 3 368.380 4.303 20 30 FIEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000439641292 1101624651 /nfs/dbraw/zinc/62/46/51/1101624651.db2.gz CCARXRZJMNRQMR-LLVKDONJSA-N -1 3 357.385 4.225 20 30 FIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccccc3F)o2)c1 ZINC000127567582 1102003604 /nfs/dbraw/zinc/00/36/04/1102003604.db2.gz ILYFEANHCHZTJJ-MRXNPFEDSA-N -1 3 362.360 4.355 20 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ZINC000060423540 1115635255 /nfs/dbraw/zinc/63/52/55/1115635255.db2.gz WFZQAQWQFGUSBE-UHFFFAOYSA-N -1 3 372.450 4.464 20 30 FIEDHM N#Cc1cnc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c(Cl)c1 ZINC000535419299 1116304028 /nfs/dbraw/zinc/30/40/28/1116304028.db2.gz ZQQIODXJTARGNT-UHFFFAOYSA-N -1 3 363.804 4.155 20 30 FIEDHM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1ccc(C(F)(F)F)cn1 ZINC000463064791 1117949073 /nfs/dbraw/zinc/94/90/73/1117949073.db2.gz PWDADHMSSWRWLF-CYBMUJFWSA-N -1 3 366.726 4.179 20 30 FIEDHM N#CC(=C([O-])c1cccc(OC(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464414093 1118548261 /nfs/dbraw/zinc/54/82/61/1118548261.db2.gz GLLQXXTXICNXCR-LBPRGKRZSA-N -1 3 374.240 4.489 20 30 FIEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)nc1)c1cc(C(F)(F)F)ccn1 ZINC000464418670 1118550184 /nfs/dbraw/zinc/55/01/84/1118550184.db2.gz HSHSFSXDYNVYGM-SNVBAGLBSA-N -1 3 359.229 4.004 20 30 FIEDHM CC1(C)COc2c1cccc2C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421394 1118558761 /nfs/dbraw/zinc/55/87/61/1118558761.db2.gz 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ZINC001649051855 1121336542 /nfs/dbraw/zinc/33/65/42/1121336542.db2.gz IXJLOYGLDVMUMI-UHFFFAOYSA-N -1 3 353.447 4.059 20 30 FIEDHM COCCOCc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000915981221 1121362658 /nfs/dbraw/zinc/36/26/58/1121362658.db2.gz OOITYXZWWMKZQC-UHFFFAOYSA-N -1 3 364.239 4.068 20 30 FIEDHM COc1cc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)ccc1[O-] ZINC000915984106 1121364718 /nfs/dbraw/zinc/36/47/18/1121364718.db2.gz IMEBMIVGVLRJGY-XBXARRHUSA-N -1 3 361.397 4.271 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC001649056886 1121380815 /nfs/dbraw/zinc/38/08/15/1121380815.db2.gz KDXWNPQVZOVKTI-HZPDHXFCSA-N -1 3 366.458 4.048 20 30 FIEDHM CCCCCCN([O-])C(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC001649056902 1121380933 /nfs/dbraw/zinc/38/09/33/1121380933.db2.gz KMOCLOKHJWXLHJ-UHFFFAOYSA-N -1 3 370.287 4.287 20 30 FIEDHM COc1ccc(C(=O)CC(C)(C)CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001649070142 1121542304 /nfs/dbraw/zinc/54/23/04/1121542304.db2.gz SHNSVFFQCUFCCX-UHFFFAOYSA-N -1 3 373.424 4.241 20 30 FIEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000124948920 1121734153 /nfs/dbraw/zinc/73/41/53/1121734153.db2.gz BLHKRZUDRSVNNH-TZMCWYRMSA-N -1 3 373.503 4.499 20 30 FIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3)oc2C)cc1 ZINC000916908935 1121931294 /nfs/dbraw/zinc/93/12/94/1121931294.db2.gz GNMBRLRUQZWCDS-SFHVURJKSA-N -1 3 373.412 4.174 20 30 FIEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CSc1ccccc1 ZINC000916912329 1121932905 /nfs/dbraw/zinc/93/29/05/1121932905.db2.gz ZYQTXXCHTDMMLW-VNDWYCCKSA-N -1 3 356.834 4.293 20 30 FIEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CSc1ccccc1 ZINC000916912313 1121933588 /nfs/dbraw/zinc/93/35/88/1121933588.db2.gz ZYQTXXCHTDMMLW-IWMPZKFUSA-N -1 3 356.834 4.293 20 30 FIEDHM COc1cccc(Oc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)c1 ZINC000917558739 1122353067 /nfs/dbraw/zinc/35/30/67/1122353067.db2.gz WXIRFJOMDMASNJ-UHFFFAOYSA-N -1 3 364.401 4.139 20 30 FIEDHM CCOC(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000917556576 1122360038 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CC(C)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000080449375 1123965669 /nfs/dbraw/zinc/96/56/69/1123965669.db2.gz XNSMVFYMWRFVRO-HNNXBMFYSA-N -1 3 353.447 4.105 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000080454288 1123966153 /nfs/dbraw/zinc/96/61/53/1123966153.db2.gz OTGOHJJODBFRMY-LLVKDONJSA-N -1 3 354.391 4.146 20 30 FIEDHM N#Cc1nc(Sc2nnc([N-]c3ccccc3F)s2)ccc1Cl ZINC000301506097 1124237641 /nfs/dbraw/zinc/23/76/41/1124237641.db2.gz GXMAFSCABYCRHE-UHFFFAOYSA-N -1 3 363.830 4.492 20 30 FIEDHM Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000328602524 525037260 /nfs/dbraw/zinc/03/72/60/525037260.db2.gz BYFFNJITQNJHFR-YWZLYKJASA-N -1 3 363.417 4.252 20 30 FIEDHM N#Cc1ccc(Cc2cnc(NCc3c(F)ccc([O-])c3F)s2)cc1 ZINC000568134684 567930646 /nfs/dbraw/zinc/93/06/46/567930646.db2.gz BNEOHFLGFDYSDA-UHFFFAOYSA-N -1 3 357.385 4.201 20 30 FIEDHM Cc1c2cc(F)ccc2sc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000065880109 568063543 /nfs/dbraw/zinc/06/35/43/568063543.db2.gz CQPXJUKIYCATMP-UHFFFAOYSA-N -1 3 353.382 4.165 20 30 FIEDHM Cc1c2cc(F)ccc2sc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065880109 568063544 /nfs/dbraw/zinc/06/35/44/568063544.db2.gz CQPXJUKIYCATMP-UHFFFAOYSA-N -1 3 353.382 4.165 20 30 FIEDHM Cc1c2cc(F)ccc2sc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000065880109 568063545 /nfs/dbraw/zinc/06/35/45/568063545.db2.gz CQPXJUKIYCATMP-UHFFFAOYSA-N -1 3 353.382 4.165 20 30 FIEDHM Cc1cc2nc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)oc2c(C)c1 ZINC000619221389 1125530323 /nfs/dbraw/zinc/53/03/23/1125530323.db2.gz TWQHTBSDUFHUPH-UHFFFAOYSA-N -1 3 358.357 4.224 20 30 FIEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ncccc1[O-] ZINC000471254628 1080594966 /nfs/dbraw/zinc/59/49/66/1080594966.db2.gz VTHRSJINUWNIQL-UHFFFAOYSA-N -1 3 374.400 4.081 20 30 FIEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c1Cl ZINC000610338981 1081491396 /nfs/dbraw/zinc/49/13/96/1081491396.db2.gz ZNLVSIHYEUNWAP-NSHDSACASA-N -1 3 369.273 4.213 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c(F)c1 ZINC000580507414 1081986973 /nfs/dbraw/zinc/98/69/73/1081986973.db2.gz YDGFDXRVCYEGIY-UHFFFAOYSA-N -1 3 366.373 4.398 20 30 FIEDHM CC[C@H](c1nnc([N-]C(=O)c2cc(C#N)cs2)s1)c1ccccc1 ZINC000084108669 1082605984 /nfs/dbraw/zinc/60/59/84/1082605984.db2.gz GUNROZIOBAOGKL-ZDUSSCGKSA-N -1 3 354.460 4.265 20 30 FIEDHM Cc1c(C[S@](C)=O)cccc1N=Cc1cc(Br)ccc1[O-] ZINC000255384523 1083011044 /nfs/dbraw/zinc/01/10/44/1083011044.db2.gz ASTDXWHFGCCPFF-NRFANRHFSA-N -1 3 366.280 4.092 20 30 FIEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccc(Cl)nc1 ZINC000255717851 1083437137 /nfs/dbraw/zinc/43/71/37/1083437137.db2.gz HKQUBSMEGOENDY-DDJMYBDESA-N -1 3 363.804 4.130 20 30 FIEDHM Cc1cc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)sc1Cl ZINC000431641211 1083649382 /nfs/dbraw/zinc/64/93/82/1083649382.db2.gz VYAREWCJMXWVCR-AWEZNQCLSA-N -1 3 368.911 4.423 20 30 FIEDHM C=C(C)COc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000277055154 1083729584 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4.282 20 30 FIEDHM N#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Cl)c1Cl ZINC000433345792 1093599588 /nfs/dbraw/zinc/59/95/88/1093599588.db2.gz ZUUOOBONKJZYIK-CYBMUJFWSA-N -1 3 355.608 4.347 20 30 FIEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(SC)ccc1[O-] ZINC000614730041 1095946988 /nfs/dbraw/zinc/94/69/88/1095946988.db2.gz SXISNFCDGCKAPN-UHFFFAOYSA-N -1 3 359.495 4.110 20 30 FIEDHM N#CCn1c(/C=C\c2ccc([O-])c(Br)c2)nc2ccccc21 ZINC000436932111 1099429160 /nfs/dbraw/zinc/42/91/60/1099429160.db2.gz MPGZVNKLMXLMAB-VURMDHGXSA-N -1 3 354.207 4.198 20 30 FIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)s2)c1 ZINC000127779602 1099535798 /nfs/dbraw/zinc/53/57/98/1099535798.db2.gz DSPVTWGEBAFZGG-INIZCTEOSA-N -1 3 361.426 4.080 20 30 FIEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000537442901 1101795407 /nfs/dbraw/zinc/79/54/07/1101795407.db2.gz JMIFRTGBPCKRQP-FZMZJTMJSA-N -1 3 363.339 4.163 20 30 FIEDHM C=CCN(CC1CCCCC1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000894730941 1102787254 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FIEDHM O=C(c1nc2ccccc2nc1C1CC1)N([O-])CCCCc1ccccc1 ZINC001649052539 1121345390 /nfs/dbraw/zinc/34/53/90/1121345390.db2.gz ZRGWSPBCTHDUQE-UHFFFAOYSA-N -1 3 361.445 4.362 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001649056857 1121380706 /nfs/dbraw/zinc/38/07/06/1121380706.db2.gz ISYFFGFLYCHTOF-OAHLLOKOSA-N -1 3 361.511 4.311 20 30 FIEDHM CCCCCCN([O-])C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001649056742 1121383723 /nfs/dbraw/zinc/38/37/23/1121383723.db2.gz HQERZOUVZIABRI-DLBZAZTESA-N -1 3 370.534 4.458 20 30 FIEDHM [O-]c1ccc(Cl)cc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000916276755 1121461709 /nfs/dbraw/zinc/46/17/09/1121461709.db2.gz IJTJXEBJVVYBFS-UHFFFAOYSA-N -1 3 365.245 4.128 20 30 FIEDHM CCN(CC)c1nc2sc(C([O-])=C(C#N)c3ccccn3)cc2s1 ZINC000062675820 1121638530 /nfs/dbraw/zinc/63/85/30/1121638530.db2.gz GUZMPVGCTYJOMY-LLVKDONJSA-N -1 3 356.476 4.089 20 30 FIEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000916906942 1121930227 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353.230 4.325 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)n1 ZINC000080451480 1123966105 /nfs/dbraw/zinc/96/61/05/1123966105.db2.gz HRGICDKHCDNDQM-DAXOMENPSA-N -1 3 367.474 4.351 20 30 FIEDHM COc1cc(Cl)cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000499458752 1124727352 /nfs/dbraw/zinc/72/73/52/1124727352.db2.gz WMNRQJFZABQJND-CYBMUJFWSA-N -1 3 354.715 4.252 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)c1OC ZINC000672583962 1125184687 /nfs/dbraw/zinc/18/46/87/1125184687.db2.gz VAQMQJABTXHSFV-CYBMUJFWSA-N -1 3 370.405 4.251 20 30 FIEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc2ccccc21 ZINC000046301778 208362482 /nfs/dbraw/zinc/36/24/82/208362482.db2.gz OJVWPRSFWZDBRI-UHFFFAOYSA-N -1 3 373.456 4.002 20 30 FIEDHM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000619462188 1125596459 /nfs/dbraw/zinc/59/64/59/1125596459.db2.gz MUDPIHMIHHKQMW-UHFFFAOYSA-N -1 3 358.463 4.041 20 30 FIEDHM O=C(COc1cc(Cl)ccc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868687 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4.352 20 30 FIEDHM CCOC(=O)c1sc([N-]C(=O)c2scc(C)c2Cl)c(C#N)c1C ZINC000616903214 1124410710 /nfs/dbraw/zinc/41/07/10/1124410710.db2.gz RWMALJIWHMEJBK-UHFFFAOYSA-N -1 3 368.867 4.381 20 30 FIEDHM COc1cc(Cl)cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000499458753 1124726864 /nfs/dbraw/zinc/72/68/64/1124726864.db2.gz WMNRQJFZABQJND-ZDUSSCGKSA-N -1 3 354.715 4.252 20 30 FIEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001212483596 1125318068 /nfs/dbraw/zinc/31/80/68/1125318068.db2.gz XLRGROXZWJIURC-FZMZJTMJSA-N -1 3 365.392 4.258 20 30 FIEDHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@@H]1CCC[C@@H]1C#N ZINC000602978358 568036496 /nfs/dbraw/zinc/03/64/96/568036496.db2.gz PNUGKISXHWKBSA-GDBMZVCRSA-N -1 3 364.474 4.188 20 30 FIEDHM COc1cc(Cl)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000065647946 568055162 /nfs/dbraw/zinc/05/51/62/568055162.db2.gz QQBKPUJROYQACT-GFCCVEGCSA-N -1 3 354.715 4.252 20 30 FIEDHM N#CC(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000603836632 568159581 /nfs/dbraw/zinc/15/95/81/568159581.db2.gz QCISFSXDJSTXII-LLVKDONJSA-N -1 3 372.793 4.190 20 30 FIEDHM COc1cccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1[O-] ZINC001625775511 1079527206 /nfs/dbraw/zinc/52/72/06/1079527206.db2.gz PMGABEYMJNJQLP-UHFFFAOYSA-N -1 3 360.369 4.317 20 30 FIEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(F)cc(Br)c2F)s1 ZINC001125280134 1079665317 /nfs/dbraw/zinc/66/53/17/1079665317.db2.gz VUBVTLPDDGPPEA-UHFFFAOYSA-N -1 3 371.206 4.475 20 30 FIEDHM N#CC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCCC1 ZINC001167053510 1079690657 /nfs/dbraw/zinc/69/06/57/1079690657.db2.gz UILXMUDUZMRLRJ-UHFFFAOYSA-N -1 3 350.418 4.388 20 30 FIEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000134453753 1080234647 /nfs/dbraw/zinc/23/46/47/1080234647.db2.gz KWPIEJYHVAODQV-RWXDYVFQSA-N -1 3 372.621 4.100 20 30 FIEDHM COC(=O)N(C)c1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255119178 1081286211 /nfs/dbraw/zinc/28/62/11/1081286211.db2.gz OBMQQBACDZQMKI-UHFFFAOYSA-N -1 3 363.211 4.108 20 30 FIEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1Cl ZINC000610412093 1081808207 /nfs/dbraw/zinc/80/82/07/1081808207.db2.gz PXVQYTZKRVIDKA-UHFFFAOYSA-N -1 3 374.771 4.340 20 30 FIEDHM COc1cc(C(=O)/C=C\c2cc(Br)cs2)c(OC)cc1[O-] ZINC000255294406 1082480212 /nfs/dbraw/zinc/48/02/12/1082480212.db2.gz CLZDKAVDWVWEAL-ARJAWSKDSA-N -1 3 369.236 4.130 20 30 FIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1cnc(C(C)(C)C)s1 ZINC000255366874 1082822613 /nfs/dbraw/zinc/82/26/13/1082822613.db2.gz VCGKYKDTBKXDLM-CMUBDUJZSA-N -1 3 364.474 4.217 20 30 FIEDHM N#C[C@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000121612507 1083333071 /nfs/dbraw/zinc/33/30/71/1083333071.db2.gz MGWZRUQLMOQJPM-LBPRGKRZSA-N -1 3 359.134 4.405 20 30 FIEDHM N#CC(=C([O-])c1ccc2c(c1)CCCCC2=O)c1cnc2ccccc2n1 ZINC000685797264 1084007353 /nfs/dbraw/zinc/00/73/53/1084007353.db2.gz SCIOOSURXYVEJA-QGZVFWFLSA-N -1 3 355.397 4.029 20 30 FIEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnc4n3CCCC4)n2)cc1 ZINC000651605270 1085225071 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CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(SC2CCCCC2)cc1C ZINC000416934077 1090578400 /nfs/dbraw/zinc/57/84/00/1090578400.db2.gz CTEUPNIKVLPLQI-MRXNPFEDSA-N -1 3 352.525 4.464 20 30 FIEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CSCc2ccccc2)c1 ZINC000416955247 1090596185 /nfs/dbraw/zinc/59/61/85/1090596185.db2.gz MBKKZERNWYKPBK-GOSISDBHSA-N -1 3 360.504 4.164 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)c1 ZINC000442878754 1092834613 /nfs/dbraw/zinc/83/46/13/1092834613.db2.gz UPOCKTAKEMSXJX-GOSISDBHSA-N -1 3 373.437 4.489 20 30 FIEDHM CCOc1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1Br ZINC001211758496 1093225420 /nfs/dbraw/zinc/22/54/20/1093225420.db2.gz MSLKFGWRLINCMZ-UHFFFAOYSA-N -1 3 351.175 4.308 20 30 FIEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Cl)c1Cl ZINC000433345793 1093600038 /nfs/dbraw/zinc/60/00/38/1093600038.db2.gz ZUUOOBONKJZYIK-ZDUSSCGKSA-N -1 3 355.608 4.347 20 30 FIEDHM N#CC(=C([O-])c1ccc(-n2cccc2)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620583 1093659830 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FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C(C)C)[C@@H](C)c1ccsc1 ZINC000421689233 1095827492 /nfs/dbraw/zinc/82/74/92/1095827492.db2.gz JMENBDPVKAREHC-HNNXBMFYSA-N -1 3 371.506 4.268 20 30 FIEDHM Cn1cccc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000515541834 1098705562 /nfs/dbraw/zinc/70/55/62/1098705562.db2.gz AJAFUPILECHJEE-IIFATDLDSA-N -1 3 365.502 4.439 20 30 FIEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000436118552 1098744012 /nfs/dbraw/zinc/74/40/12/1098744012.db2.gz PCQDKBBYKLEMLF-UHFFFAOYSA-N -1 3 362.773 4.023 20 30 FIEDHM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000517520116 1100448797 /nfs/dbraw/zinc/44/87/97/1100448797.db2.gz VOAJMRSPAJGPPS-HNNXBMFYSA-N -1 3 360.504 4.065 20 30 FIEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)s1 ZINC000140384709 1101674749 /nfs/dbraw/zinc/67/47/49/1101674749.db2.gz DHQSUEQRFAPPEF-MLGOLLRUSA-N -1 3 369.490 4.489 20 30 FIEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000537442903 1101796317 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FIEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)ccc1C#N ZINC000447262677 1109489636 /nfs/dbraw/zinc/48/96/36/1109489636.db2.gz GAMVMEGEGOIOGB-UHFFFAOYSA-N -1 3 356.378 4.067 20 30 FIEDHM Cc1cccc([O-])c1C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000600036227 1112818661 /nfs/dbraw/zinc/81/86/61/1112818661.db2.gz AIKWJGAHVOEICU-ZDUSSCGKSA-N -1 3 362.351 4.274 20 30 FIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000128589118 1113036082 /nfs/dbraw/zinc/03/60/82/1113036082.db2.gz AAWZKIXJJAIBRO-GOSISDBHSA-N -1 3 356.372 4.269 20 30 FIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1 ZINC000128593440 1113061550 /nfs/dbraw/zinc/06/15/50/1113061550.db2.gz YGPRKQUKJYJPMJ-INIZCTEOSA-N -1 3 355.463 4.064 20 30 FIEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1c(Cl)cccc1Cl ZINC000555938323 1113077375 /nfs/dbraw/zinc/07/73/75/1113077375.db2.gz MFIQFNPHDKEKFQ-ZDUSSCGKSA-N -1 3 355.608 4.347 20 30 FIEDHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3nccc4ccccc43)cnc21 ZINC000483187986 1113463539 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CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(C#N)CCCCC3)c2)n1 ZINC000596822137 1115620094 /nfs/dbraw/zinc/62/00/94/1115620094.db2.gz DQJHFEULASYSNV-UHFFFAOYSA-N -1 3 364.449 4.214 20 30 FIEDHM CCOC(=O)c1sc([N-]C(=O)c2oc(C(F)F)cc2C)c(C#N)c1C ZINC000602228034 1115690566 /nfs/dbraw/zinc/69/05/66/1115690566.db2.gz MCMBDDTVNSBDRJ-UHFFFAOYSA-N -1 3 368.361 4.196 20 30 FIEDHM CCCCC[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000598461206 1115729431 /nfs/dbraw/zinc/72/94/31/1115729431.db2.gz QBFVQRIAKGBJEG-KRWDZBQOSA-N -1 3 357.498 4.170 20 30 FIEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4cccnc4)on3)sc2C1 ZINC000603727305 1115809810 /nfs/dbraw/zinc/80/98/10/1115809810.db2.gz MRURIUBSNQOOME-LLVKDONJSA-N -1 3 364.430 4.047 20 30 FIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3sccc3Br)nc21 ZINC000605362366 1115891035 /nfs/dbraw/zinc/89/10/35/1115891035.db2.gz DEGRKDUKTWGKMG-VIFPVBQESA-N -1 3 360.236 4.185 20 30 FIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1cnc(C(C)(C)C)s1 ZINC000173900418 1116098209 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FIEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000303461037 568280674 /nfs/dbraw/zinc/28/06/74/568280674.db2.gz LNSOKORCBQKAJU-UHFFFAOYSA-N -1 3 372.273 4.037 20 30 FIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C4CC4)n(C(C)(C)C)n3)nc21 ZINC000605362647 1079767461 /nfs/dbraw/zinc/76/74/61/1079767461.db2.gz OCPBKMOOJOAQFT-AWEZNQCLSA-N -1 3 361.449 4.190 20 30 FIEDHM COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)cc(Br)c1[O-] ZINC000728230300 1080667626 /nfs/dbraw/zinc/66/76/26/1080667626.db2.gz CVNXPOLMMNNDHB-HYXAFXHYSA-N -1 3 363.207 4.073 20 30 FIEDHM CC(C)C(=O)Nc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255093713 1081168144 /nfs/dbraw/zinc/16/81/44/1081168144.db2.gz IUHFJWJHNQDWET-UHFFFAOYSA-N -1 3 361.239 4.500 20 30 FIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)cs2)cc1 ZINC000177599706 1081233596 /nfs/dbraw/zinc/23/35/96/1081233596.db2.gz DWTCTCBBTQQVMI-MRXNPFEDSA-N -1 3 356.447 4.060 20 30 FIEDHM COc1cc(/C=C\C(=O)c2cc(OC)c(OC)cc2C)cc(Cl)c1[O-] ZINC000255282222 1082404920 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CCOc1cc(/C=C\C(=O)c2cncc(C)c2)cc(Br)c1[O-] ZINC000588476460 1083753867 /nfs/dbraw/zinc/75/38/67/1083753867.db2.gz NJVKKCLHRMPMEJ-PLNGDYQASA-N -1 3 362.223 4.153 20 30 FIEDHM COCc1ncsc1C(=O)[N-]c1sc(-c2ccccc2)cc1C#N ZINC000570065223 1083882664 /nfs/dbraw/zinc/88/26/64/1083882664.db2.gz VBFJPQCBXYHFKA-UHFFFAOYSA-N -1 3 355.444 4.142 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)CCCC(=O)N3)s1 ZINC000684673706 1084189934 /nfs/dbraw/zinc/18/99/34/1084189934.db2.gz BUAGVPQMRRIELE-AWEZNQCLSA-N -1 3 367.474 4.205 20 30 FIEDHM Cc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cnn1Cc1ccccc1 ZINC000613292453 1084563174 /nfs/dbraw/zinc/56/31/74/1084563174.db2.gz KNKIJNSDYLNALC-IBGZPJMESA-N -1 3 366.424 4.278 20 30 FIEDHM N#CC(=C([O-])c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2s1 ZINC000048824824 1085707698 /nfs/dbraw/zinc/70/76/98/1085707698.db2.gz NLBYWWIJFPCBDD-NSHDSACASA-N -1 3 362.370 4.176 20 30 FIEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000662085664 1086110430 /nfs/dbraw/zinc/11/04/30/1086110430.db2.gz IMOOQMNTDKUSAY-BETUJISGSA-N -1 3 353.447 4.340 20 30 FIEDHM N#CC(=C([O-])c1ccc([C@H]2CCCOC2)cc1)c1cnc2ccccc2n1 ZINC000583356850 1086604251 /nfs/dbraw/zinc/60/42/51/1086604251.db2.gz CVGVTKDPUVTPMX-ROUUACIJSA-N -1 3 357.413 4.014 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OC3CCOCC3)cc2)n1 ZINC000080454839 1086738834 /nfs/dbraw/zinc/73/88/34/1086738834.db2.gz QTMDBIWMTOURPK-KRWDZBQOSA-N -1 3 370.474 4.314 20 30 FIEDHM Cc1ccc(C(=O)Nc2ccccc2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255579999 1087105549 /nfs/dbraw/zinc/10/55/49/1087105549.db2.gz CUELDHKDTNDIAA-UHFFFAOYSA-N -1 3 362.385 4.115 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1OC(C)C ZINC000647372145 1087786931 /nfs/dbraw/zinc/78/69/31/1087786931.db2.gz GEUPAWXXDKYWFK-AWEZNQCLSA-N -1 3 356.447 4.306 20 30 FIEDHM N#CCCN(Cc1ccccn1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179541970 1088753357 /nfs/dbraw/zinc/75/33/57/1088753357.db2.gz XIQXYEOQNYNFCA-UHFFFAOYSA-N -1 3 373.412 4.136 20 30 FIEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CSCc2ccccc2)c1 ZINC000416955251 1090596389 /nfs/dbraw/zinc/59/63/89/1090596389.db2.gz MBKKZERNWYKPBK-SFHVURJKSA-N -1 3 360.504 4.164 20 30 FIEDHM N#CCCCOc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432704688 1092162238 /nfs/dbraw/zinc/16/22/38/1092162238.db2.gz OUNHRGGNWUZLAL-CAPFRKAQSA-N -1 3 371.440 4.236 20 30 FIEDHM Cn1c(C(C#N)=C([O-])c2ccncc2Oc2ccccc2)nc2ccccc21 ZINC000442037301 1092395646 /nfs/dbraw/zinc/39/56/46/1092395646.db2.gz XJFLCSWSOKNYGV-QGZVFWFLSA-N -1 3 368.396 4.251 20 30 FIEDHM COC(=O)CCc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000729150131 1093934954 /nfs/dbraw/zinc/93/49/54/1093934954.db2.gz SWKKOKCJPRPWFU-UHFFFAOYSA-N -1 3 362.223 4.011 20 30 FIEDHM N#CC(=C([O-])c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccn1 ZINC000041493749 1094611174 /nfs/dbraw/zinc/61/11/74/1094611174.db2.gz ZLTXNSPWHTZMNY-AWEZNQCLSA-N -1 3 362.410 4.071 20 30 FIEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000664293256 1096247369 /nfs/dbraw/zinc/24/73/69/1096247369.db2.gz UIXJNSDCVDJFAV-YJBOKZPZSA-N -1 3 366.465 4.414 20 30 FIEDHM C=CCn1c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436775524 1099297401 /nfs/dbraw/zinc/29/74/01/1099297401.db2.gz QFKFYMPLIAETPQ-UHFFFAOYSA-N -1 3 364.430 4.270 20 30 FIEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000437160727 1099677510 /nfs/dbraw/zinc/67/75/10/1099677510.db2.gz SREJWBJGCVEGAK-UHFFFAOYSA-N -1 3 362.773 4.023 20 30 FIEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000438953656 1101044920 /nfs/dbraw/zinc/04/49/20/1101044920.db2.gz BKQSYKPDEFJDRU-KRWDZBQOSA-N -1 3 372.421 4.204 20 30 FIEDHM N#CCCN(Cc1cccnc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000054422574 1102016040 /nfs/dbraw/zinc/01/60/40/1102016040.db2.gz QUQZKADLUHSXDQ-UHFFFAOYSA-N -1 3 361.445 4.328 20 30 FIEDHM CCCCOc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000015352703 1102452414 /nfs/dbraw/zinc/45/24/14/1102452414.db2.gz SMIFDYPRMXDFJD-RMKNXTFCSA-N -1 3 356.418 4.484 20 30 FIEDHM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC ZINC000426729715 1102949535 /nfs/dbraw/zinc/94/95/35/1102949535.db2.gz GDXJLESAVPITEF-OAQYLSRUSA-N -1 3 369.461 4.182 20 30 FIEDHM N#Cc1cccc(COc2cccc(CN[C@@H](C(=O)[O-])c3ccccc3)c2)c1 ZINC000426793826 1102995071 /nfs/dbraw/zinc/99/50/71/1102995071.db2.gz PBTWUVOJOIAHJE-JOCHJYFZSA-N -1 3 372.424 4.053 20 30 FIEDHM C=CCOc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1OC ZINC000477404292 1103463430 /nfs/dbraw/zinc/46/34/30/1103463430.db2.gz KDDCDMYLAPVEEG-XDJHFCHBSA-N -1 3 374.440 4.127 20 30 FIEDHM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000520186823 1104165906 /nfs/dbraw/zinc/16/59/06/1104165906.db2.gz YJOWGXRTIAACPG-UHFFFAOYSA-N -1 3 368.389 4.290 20 30 FIEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1ccc(C(F)(F)F)cn1 ZINC000444458468 1107924593 /nfs/dbraw/zinc/92/45/93/1107924593.db2.gz FYVFSAMRQKVPQT-NSHDSACASA-N -1 3 362.336 4.042 20 30 FIEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000160093181 1113295022 /nfs/dbraw/zinc/29/50/22/1113295022.db2.gz ZARKLSWEASFGAU-INIZCTEOSA-N -1 3 359.429 4.044 20 30 FIEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)oc1CC ZINC000128728644 1113362713 /nfs/dbraw/zinc/36/27/13/1113362713.db2.gz OVNLWWMHZHUGJW-KRWDZBQOSA-N -1 3 366.461 4.490 20 30 FIEDHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483228905 1113471598 /nfs/dbraw/zinc/47/15/98/1113471598.db2.gz NNIGGXGREJJLED-IBGZPJMESA-N -1 3 369.428 4.359 20 30 FIEDHM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1Cc1ccccc1 ZINC000483231475 1113472241 /nfs/dbraw/zinc/47/22/41/1113472241.db2.gz QWLYIQGBHYOKNS-FQEVSTJZSA-N -1 3 366.424 4.278 20 30 FIEDHM COc1ccc(C=NNc2cccc(Cl)c2F)c(Br)c1[O-] ZINC000761013226 1115301710 /nfs/dbraw/zinc/30/17/10/1115301710.db2.gz QYHOHYFXYGONNW-UHFFFAOYSA-N -1 3 373.609 4.402 20 30 FIEDHM COc1ccc(C=NNc2ccc(F)cc2C)c(Br)c1[O-] ZINC000761014021 1115308007 /nfs/dbraw/zinc/30/80/07/1115308007.db2.gz WGURCMOZIUQZOG-UHFFFAOYSA-N -1 3 353.191 4.057 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000598234646 1115714965 /nfs/dbraw/zinc/71/49/65/1115714965.db2.gz WACCKIQAVSDVPX-UHFFFAOYSA-N -1 3 361.445 4.197 20 30 FIEDHM N#Cc1c([N-]C(=O)c2cc(F)c(Cl)nc2Cl)sc2c1CCC2 ZINC000171426562 1115866203 /nfs/dbraw/zinc/86/62/03/1115866203.db2.gz JRFNXAYJKIQVFC-UHFFFAOYSA-N -1 3 356.209 4.202 20 30 FIEDHM N#C[C@H]([N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccccc1F ZINC000464405221 1118553288 /nfs/dbraw/zinc/55/32/88/1118553288.db2.gz NKBOONYNJHJRDS-ZDUSSCGKSA-N -1 3 358.241 4.117 20 30 FIEDHM N#CC(=C([O-])c1cc(Oc2ccccc2)ccn1)c1nc2ccccc2[nH]1 ZINC000173966748 1119083867 /nfs/dbraw/zinc/08/38/67/1119083867.db2.gz UGPOTTCJDFOJID-INIZCTEOSA-N -1 3 354.369 4.240 20 30 FIEDHM COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)c(OC)cc1[O-] ZINC000761478962 1119168572 /nfs/dbraw/zinc/16/85/72/1119168572.db2.gz ITRMEWYRKULTHR-HWKANZROSA-N -1 3 358.337 4.386 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c(F)c1 ZINC000493132390 1119309206 /nfs/dbraw/zinc/30/92/06/1119309206.db2.gz MVKMSFLIWCOGKU-UHFFFAOYSA-N -1 3 360.797 4.305 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1OC(F)F ZINC000177759946 1119349433 /nfs/dbraw/zinc/34/94/33/1119349433.db2.gz BQVIIXFHFOVFMY-NSHDSACASA-N -1 3 366.389 4.367 20 30 FIEDHM CCCCCCCCc1nnc([N-]C(=O)c2nccn3cc(C)nc23)s1 ZINC000761602128 1119671741 /nfs/dbraw/zinc/67/17/41/1119671741.db2.gz JMYWAUWUZGMSKI-UHFFFAOYSA-N -1 3 372.498 4.045 20 30 FIEDHM Cc1ncc(CO)c(C=Nc2cccc(OCc3ccc(F)cc3)c2)c1[O-] ZINC000914557086 1120361416 /nfs/dbraw/zinc/36/14/16/1120361416.db2.gz AIUUWFYBFCOLNM-UHFFFAOYSA-N -1 3 366.392 4.057 20 30 FIEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914892069 1120629521 /nfs/dbraw/zinc/62/95/21/1120629521.db2.gz YPMYLSJWOLCWJE-UHFFFAOYSA-N -1 3 372.471 4.303 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccc(Br)c(F)c2)ccc1[O-] ZINC000763100623 1121115737 /nfs/dbraw/zinc/11/57/37/1121115737.db2.gz GGDWKXPHYMCAMN-UTCJRWHESA-N -1 3 351.171 4.199 20 30 FIEDHM COc1cc(C(=O)/C=C/c2ccc(Br)c(F)c2)ccc1[O-] ZINC000763100625 1121116262 /nfs/dbraw/zinc/11/62/62/1121116262.db2.gz GGDWKXPHYMCAMN-ZZXKWVIFSA-N -1 3 351.171 4.199 20 30 FIEDHM COc1cc(C(=O)/C=C/c2cccc3c2OC(C)(C)C3)c(OC)cc1[O-] ZINC000763105383 1121118472 /nfs/dbraw/zinc/11/84/72/1121118472.db2.gz PRFPZHJPJBRZHE-CMDGGOBGSA-N -1 3 354.402 4.019 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)c(OC)cc1[O-] ZINC000763106841 1121118722 /nfs/dbraw/zinc/11/87/22/1121118722.db2.gz RDQNXILPSGKDJW-YVMONPNESA-N -1 3 352.308 4.324 20 30 FIEDHM COc1cc(C(=O)/C=C/c2cccc(Br)c2)c(OC)cc1[O-] ZINC000763105203 1121118731 /nfs/dbraw/zinc/11/87/31/1121118731.db2.gz JORMYJFIGKMTGU-VOTSOKGWSA-N -1 3 363.207 4.068 20 30 FIEDHM COc1cc(C(=O)/C=C\c2nc(C(C)C)n3ccccc23)c(OC)cc1[O-] ZINC000763107838 1121119525 /nfs/dbraw/zinc/11/95/25/1121119525.db2.gz YLEDOYMVTNJKTM-HJWRWDBZSA-N -1 3 366.417 4.077 20 30 FIEDHM O=C(c1ccnc(OCc2ccccc2)c1)N([O-])Cc1ccccc1Cl ZINC001649046569 1121308981 /nfs/dbraw/zinc/30/89/81/1121308981.db2.gz YNAOAVMTBMZGGP-UHFFFAOYSA-N -1 3 368.820 4.346 20 30 FIEDHM COc1ccc2cccc(CC(=O)N([O-])Cc3ccccc3Cl)c2c1 ZINC001649046570 1121309067 /nfs/dbraw/zinc/30/90/67/1121309067.db2.gz YNBJGCMUXJJQSQ-UHFFFAOYSA-N -1 3 355.821 4.462 20 30 FIEDHM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000614381610 1121321823 /nfs/dbraw/zinc/32/18/23/1121321823.db2.gz PSTHIGDYUUCWDB-AWEZNQCLSA-N -1 3 355.319 4.447 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)o1 ZINC000130446032 1121336856 /nfs/dbraw/zinc/33/68/56/1121336856.db2.gz IHAOXZIEDAHVEA-AWEZNQCLSA-N -1 3 351.189 4.164 20 30 FIEDHM Cc1ccc2c(c1C)NC(=O)C2=N[N-]c1ncc(C(F)(F)F)cc1Cl ZINC000916286754 1121464076 /nfs/dbraw/zinc/46/40/76/1121464076.db2.gz SZBQEBJNEOTSOJ-UHFFFAOYSA-N -1 3 368.746 4.139 20 30 FIEDHM [O-]c1ccc(Cl)cc1C=NN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000916345258 1121477095 /nfs/dbraw/zinc/47/70/95/1121477095.db2.gz WYHSWDSNSZQZJR-UHFFFAOYSA-N -1 3 365.245 4.128 20 30 FIEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(C)c1 ZINC000916368896 1121481987 /nfs/dbraw/zinc/48/19/87/1121481987.db2.gz TWTMTISQNSKFLZ-UHFFFAOYSA-N -1 3 354.504 4.358 20 30 FIEDHM CN(c1nc(C(=O)N([O-])Cc2ccc(F)cc2)cs1)c1ccccc1 ZINC001649075803 1121581128 /nfs/dbraw/zinc/58/11/28/1121581128.db2.gz FZXJNTAWSAVXOG-UHFFFAOYSA-N -1 3 357.410 4.082 20 30 FIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(F)c(F)c1 ZINC000130461774 1121597250 /nfs/dbraw/zinc/59/72/50/1121597250.db2.gz HHGXEXJXADTWSJ-LBPRGKRZSA-N -1 3 369.154 4.233 20 30 FIEDHM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000916916622 1121925323 /nfs/dbraw/zinc/92/53/23/1121925323.db2.gz YDHJFBCVLONPSK-OAHLLOKOSA-N -1 3 362.410 4.065 20 30 FIEDHM N#CC(C(=O)Nc1ccccc1Oc1ccccc1)=C([O-])C=Cc1ccco1 ZINC000916906444 1121930140 /nfs/dbraw/zinc/93/01/40/1121930140.db2.gz TXLJQAQSXIYHJI-QFQMRYFISA-N -1 3 372.380 4.433 20 30 FIEDHM CCOC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000917556577 1122360313 /nfs/dbraw/zinc/36/03/13/1122360313.db2.gz DDHARMPZGHWKIF-RHLNUJDMSA-N -1 3 361.825 4.168 20 30 FIEDHM COc1ccc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2c1 ZINC000498977593 1123118461 /nfs/dbraw/zinc/11/84/61/1123118461.db2.gz IAHZEDRJGBOMFM-SFHVURJKSA-N -1 3 353.381 4.282 20 30 FIEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc(F)cc3)CCCCC2)c1[O-] ZINC000920175682 1123404138 /nfs/dbraw/zinc/40/41/38/1123404138.db2.gz ZXIGLVGHXOMTKU-FSJBWODESA-N -1 3 356.441 4.048 20 30 FIEDHM COc1cc(/C=C2/COc3c(OC)cc(C)cc3C2=O)cc(Cl)c1[O-] ZINC000920389175 1123451291 /nfs/dbraw/zinc/45/12/91/1123451291.db2.gz JCAJNNXIMFLZFW-SDQBBNPISA-N -1 3 360.793 4.030 20 30 FIEDHM CC1CCN([C@H](C/N=C\c2cc([N+](=O)[O-])ccc2[O-])c2cccs2)CC1 ZINC000920944254 1123540044 /nfs/dbraw/zinc/54/00/44/1123540044.db2.gz SKVYOLDUDFIFQB-SYERDGIWSA-N -1 3 373.478 4.254 20 30 FIEDHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000609427206 1123711375 /nfs/dbraw/zinc/71/13/75/1123711375.db2.gz USKSUFCFAAWPKZ-UHFFFAOYSA-N -1 3 360.369 4.317 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000080449381 1123965584 /nfs/dbraw/zinc/96/55/84/1123965584.db2.gz XNSMVFYMWRFVRO-OAHLLOKOSA-N -1 3 353.447 4.105 20 30 FIEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc2ccccc2n1C(F)F ZINC000179800217 1124089301 /nfs/dbraw/zinc/08/93/01/1124089301.db2.gz PVEPPAUJBYVGGT-HOSRBBHYSA-N -1 3 372.762 4.369 20 30 FIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000108237098 1124266048 /nfs/dbraw/zinc/26/60/48/1124266048.db2.gz PPYLWCIORXYTFK-LBPRGKRZSA-N -1 3 371.418 4.107 20 30 FIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000108237096 1124266181 /nfs/dbraw/zinc/26/61/81/1124266181.db2.gz PPYLWCIORXYTFK-GFCCVEGCSA-N -1 3 371.418 4.107 20 30 FIEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(Cl)c(F)c1 ZINC000765916658 1124561435 /nfs/dbraw/zinc/56/14/35/1124561435.db2.gz VLYURESKWOMNTA-SNVBAGLBSA-N -1 3 351.164 4.094 20 30 FIEDHM CCOc1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1Cl ZINC000602493480 567986391 /nfs/dbraw/zinc/98/63/91/567986391.db2.gz NVQIFZUNAYFQDZ-CQSZACIVSA-N -1 3 351.793 4.172 20 30 FIEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000051656526 568139947 /nfs/dbraw/zinc/13/99/47/568139947.db2.gz ZROAMQOHXRSPJA-ZDUSSCGKSA-N -1 3 370.359 4.104 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C(C)(C)C2=CCCCC2)no1 ZINC000568948245 568255001 /nfs/dbraw/zinc/25/50/01/568255001.db2.gz FEMOXCIWYLTYPL-UHFFFAOYSA-N -1 3 366.465 4.222 20 30 FIEDHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1scc(C)c1C#N ZINC000569033346 568270008 /nfs/dbraw/zinc/27/00/08/568270008.db2.gz MOVKAZXAAJDRGA-UHFFFAOYSA-N -1 3 366.446 4.155 20 30 FIEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000132250520 1125501735 /nfs/dbraw/zinc/50/17/35/1125501735.db2.gz MAWXHEDCMJGTCU-UHFFFAOYSA-N -1 3 364.323 4.079 20 30 FIEDHM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000581162996 1082353822 /nfs/dbraw/zinc/35/38/22/1082353822.db2.gz JQJDDIFDHOHPDW-LBPRGKRZSA-N -1 3 368.462 4.008 20 30 FIEDHM CCCCc1nnc([N-]C(=O)c2cc(F)cc3nc(C)c(C)nc32)s1 ZINC000050914679 1082461384 /nfs/dbraw/zinc/46/13/84/1082461384.db2.gz MTJQEJYHTHZDKG-UHFFFAOYSA-N -1 3 359.430 4.216 20 30 FIEDHM COc1cc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc(Cl)c1[O-] ZINC000255303279 1082568196 /nfs/dbraw/zinc/56/81/96/1082568196.db2.gz YDRZSJZIZMEVQF-RQOWECAXSA-N -1 3 373.714 4.070 20 30 FIEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2ccc(C)cc2)c(OC)cc1[O-] ZINC000255694976 1083418366 /nfs/dbraw/zinc/41/83/66/1083418366.db2.gz XWTGAEQXBCBKOA-HJWRWDBZSA-N -1 3 364.401 4.004 20 30 FIEDHM Cc1noc2nc(-c3ccc(C)cc3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000181409387 1083906594 /nfs/dbraw/zinc/90/65/94/1083906594.db2.gz IUFZOXWVLYGLPK-QGZVFWFLSA-N -1 3 368.396 4.392 20 30 FIEDHM Cc1nn(Cc2ccccc2Cl)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000049456922 1086024238 /nfs/dbraw/zinc/02/42/38/1086024238.db2.gz FBVDMECOLGLSOX-MRXNPFEDSA-N -1 3 364.836 4.087 20 30 FIEDHM CCc1oc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C(=O)OC ZINC000584125595 1087180121 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FIEDHM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c1C#N ZINC000542720500 1124150424 /nfs/dbraw/zinc/15/04/24/1124150424.db2.gz ACHLJKYDZQFLBH-UHFFFAOYSA-N -1 3 356.781 4.259 20 30 FIEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(-c2ccncc2)on1 ZINC000108981273 1124426964 /nfs/dbraw/zinc/42/69/64/1124426964.db2.gz LWSUBRLGZMBUBD-ZDUSSCGKSA-N -1 3 364.430 4.383 20 30 FIEDHM C=C(C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC001128141516 1124545252 /nfs/dbraw/zinc/54/52/52/1124545252.db2.gz KRXZZSCQTAUGTO-QGZVFWFLSA-N -1 3 367.342 4.499 20 30 FIEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000072554193 1124556388 /nfs/dbraw/zinc/55/63/88/1124556388.db2.gz CYVPJBLRJVPBJG-GOSISDBHSA-N -1 3 358.825 4.197 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)c1OC ZINC000672583963 1125184954 /nfs/dbraw/zinc/18/49/54/1125184954.db2.gz VAQMQJABTXHSFV-ZDUSSCGKSA-N -1 3 370.405 4.251 20 30 FIEDHM CC(C)c1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000436569093 567885187 /nfs/dbraw/zinc/88/51/87/567885187.db2.gz ZSWHVVZLAXZYEU-UHFFFAOYSA-N -1 3 364.445 4.071 20 30 FIEDHM CC(C)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000436692058 568279540 /nfs/dbraw/zinc/27/95/40/568279540.db2.gz WMXWRGBOVCPSFM-UHFFFAOYSA-N -1 3 364.445 4.071 20 30 FIEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000123707188 568308375 /nfs/dbraw/zinc/30/83/75/568308375.db2.gz VJXRVHVMNHVNQU-UHFFFAOYSA-N -1 3 360.744 4.031 20 30 FIEDHM N#Cc1ccccc1Oc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000254912909 1079975146 /nfs/dbraw/zinc/97/51/46/1079975146.db2.gz SBIIYUFGLRXPEE-UHFFFAOYSA-N -1 3 364.332 4.357 20 30 FIEDHM Cc1cc(C(=O)/C=C\c2cnn(Cc3ccccc3Cl)c2)ccc1[O-] ZINC000728232963 1080707415 /nfs/dbraw/zinc/70/74/15/1080707415.db2.gz YYVUBEYAVVFXGU-VURMDHGXSA-N -1 3 352.821 4.495 20 30 FIEDHM Cc1cnn(-c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2)c1 ZINC000430587638 1082530421 /nfs/dbraw/zinc/53/04/21/1082530421.db2.gz WWOWQFFAJWKCMD-INIZCTEOSA-N -1 3 364.474 4.425 20 30 FIEDHM CCCc1nnc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)s1 ZINC000050980319 1082570065 /nfs/dbraw/zinc/57/00/65/1082570065.db2.gz SZEDLCXQXAWICY-UHFFFAOYSA-N -1 3 368.418 4.171 20 30 FIEDHM COCCCOc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430614273 1082689635 /nfs/dbraw/zinc/68/96/35/1082689635.db2.gz XSMHHTGBPPWYJI-MRXNPFEDSA-N -1 3 372.490 4.346 20 30 FIEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ocnc3C3CC3)sc2C1 ZINC000581772089 1082891902 /nfs/dbraw/zinc/89/19/02/1082891902.db2.gz KMBWQKOHGBGJLI-GFCCVEGCSA-N -1 3 355.463 4.498 20 30 FIEDHM COc1cc(C(=O)/C=C\c2csc(-c3ccsc3)n2)c(OC)cc1[O-] ZINC000255697521 1083424436 /nfs/dbraw/zinc/42/44/36/1083424436.db2.gz SAHZYEXEVNSOFS-ARJAWSKDSA-N -1 3 373.455 4.491 20 30 FIEDHM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482511 1083896254 /nfs/dbraw/zinc/89/62/54/1083896254.db2.gz JHUWQDWXXMOZBO-ASCRHOAZSA-N -1 3 362.838 4.043 20 30 FIEDHM CCOc1c(F)cccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000174000030 1084711862 /nfs/dbraw/zinc/71/18/62/1084711862.db2.gz KCUGMVVMEZKBPQ-GFCCVEGCSA-N -1 3 373.334 4.459 20 30 FIEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000436673931 1086604036 /nfs/dbraw/zinc/60/40/36/1086604036.db2.gz QJSWJAPGMCZUHK-UHFFFAOYSA-N -1 3 374.352 4.037 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Nc3ccn(C)n3)cc2)n1 ZINC000659115247 1088123971 /nfs/dbraw/zinc/12/39/71/1088123971.db2.gz UQUQBNFZNUCTQB-OAHLLOKOSA-N -1 3 365.462 4.234 20 30 FIEDHM C=C(C)COc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000417633334 1090946012 /nfs/dbraw/zinc/94/60/12/1090946012.db2.gz UCKFEGFZQUMDQF-MOPGFXCFSA-N -1 3 367.445 4.053 20 30 FIEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000417633275 1090946170 /nfs/dbraw/zinc/94/61/70/1090946170.db2.gz XQHRTPPMBBDTQP-CQSZACIVSA-N -1 3 353.340 4.474 20 30 FIEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000512958376 1093605679 /nfs/dbraw/zinc/60/56/79/1093605679.db2.gz GTEFIGKJBMWPRO-UHFFFAOYSA-N -1 3 364.426 4.460 20 30 FIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621374 1093659641 /nfs/dbraw/zinc/65/96/41/1093659641.db2.gz QSONICPGIKJBCN-KRWDZBQOSA-N -1 3 361.426 4.260 20 30 FIEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2c(Cl)cccc2Cl)c1[O-] ZINC000729148484 1093934510 /nfs/dbraw/zinc/93/45/10/1093934510.db2.gz AYCVVSYBXZMZLY-WNFQYIGGSA-N -1 3 367.276 4.291 20 30 FIEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000329945967 1095325532 /nfs/dbraw/zinc/32/55/32/1095325532.db2.gz GBNGWLSLKNOGDP-UHFFFAOYSA-N -1 3 372.400 4.098 20 30 FIEDHM O=C(Nc1ccccc1N1CCCCCC1)c1cc(F)cc2n[n-]nc21 ZINC000330341979 1095548104 /nfs/dbraw/zinc/54/81/04/1095548104.db2.gz ZZQWKKBAEMXHJA-UHFFFAOYSA-N -1 3 353.401 4.114 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1-n1cccn1 ZINC000422120479 1096090015 /nfs/dbraw/zinc/09/00/15/1096090015.db2.gz MUCDBILCVJGRDW-HNNXBMFYSA-N -1 3 364.474 4.425 20 30 FIEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)nc2c1 ZINC000515539981 1098678561 /nfs/dbraw/zinc/67/85/61/1098678561.db2.gz IJXZMCPHGRLOSH-LBPRGKRZSA-N -1 3 366.833 4.396 20 30 FIEDHM N#CCCN(Cc1ccco1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436549134 1099097487 /nfs/dbraw/zinc/09/74/87/1099097487.db2.gz WSWMQQITXNTIBG-UHFFFAOYSA-N -1 3 374.440 4.326 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Cn3ccnc3)c2)n1 ZINC000436698150 1099229447 /nfs/dbraw/zinc/22/94/47/1099229447.db2.gz OQPHQJWOFRSPCF-INIZCTEOSA-N -1 3 350.447 4.001 20 30 FIEDHM CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436964595 1099464215 /nfs/dbraw/zinc/46/42/15/1099464215.db2.gz RPBJJTKUEDLWHL-UHFFFAOYSA-N -1 3 364.445 4.230 20 30 FIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3)n2)c1 ZINC000127594178 1102068769 /nfs/dbraw/zinc/06/87/69/1102068769.db2.gz DTINZJQZTUDSQO-MRXNPFEDSA-N -1 3 361.426 4.080 20 30 FIEDHM Cc1noc2nc(-c3ccc(F)cc3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000102118531 1102873400 /nfs/dbraw/zinc/87/34/00/1102873400.db2.gz CQPXCGLAZZITLM-INIZCTEOSA-N -1 3 372.359 4.222 20 30 FIEDHM CSCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)ccc1F ZINC000473947828 1104451152 /nfs/dbraw/zinc/45/11/52/1104451152.db2.gz JNCXNJGYDXMQFK-CQSZACIVSA-N -1 3 353.422 4.364 20 30 FIEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnc([C@@H]4CCCO4)s3)sc2C1 ZINC000536276642 1104469798 /nfs/dbraw/zinc/46/97/98/1104469798.db2.gz WIIHTLMABAZXQD-GWCFXTLKSA-N -1 3 373.503 4.305 20 30 FIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OC4CCCC4)c3)nc1-2 ZINC000531186393 1107617297 /nfs/dbraw/zinc/61/72/97/1107617297.db2.gz ABSPYJJEDZOZQE-KRWDZBQOSA-N -1 3 360.417 4.078 20 30 FIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4[nH]c5c(c4c3)CCCC5)nc1-2 ZINC000531186532 1107618051 /nfs/dbraw/zinc/61/80/51/1107618051.db2.gz IFFGMNKWYJDREE-INIZCTEOSA-N -1 3 369.428 4.117 20 30 FIEDHM C=CC[C@@H]1N(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCCC1(C)C ZINC000898707703 1112393509 /nfs/dbraw/zinc/39/35/09/1112393509.db2.gz GXMUUFVQVIMEBS-KRWDZBQOSA-N -1 3 360.404 4.013 20 30 FIEDHM CC[C@@H](C)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000600198875 1112923949 /nfs/dbraw/zinc/92/39/49/1112923949.db2.gz GJIXHZQILBPBJW-CYBMUJFWSA-N -1 3 351.450 4.361 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c2cnn(C(C)C)c2n1 ZINC000483189563 1113463224 /nfs/dbraw/zinc/46/32/24/1113463224.db2.gz CDKSLTROQRAOMG-GOSISDBHSA-N -1 3 369.428 4.359 20 30 FIEDHM CC(C)(C)OCc1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483221182 1113467947 /nfs/dbraw/zinc/46/79/47/1113467947.db2.gz QOZRPXWOGHTSJP-QGZVFWFLSA-N -1 3 359.429 4.435 20 30 FIEDHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483228907 1113471907 /nfs/dbraw/zinc/47/19/07/1113471907.db2.gz NNIGGXGREJJLED-LJQANCHMSA-N -1 3 369.428 4.359 20 30 FIEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000488061238 1113848296 /nfs/dbraw/zinc/84/82/96/1113848296.db2.gz BSQFUZRGRSPGFD-MRXNPFEDSA-N -1 3 358.426 4.159 20 30 FIEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000156595293 1114466841 /nfs/dbraw/zinc/46/68/41/1114466841.db2.gz JKLRXLQJYDIBPQ-UHFFFAOYSA-N -1 3 363.373 4.156 20 30 FIEDHM CCOc1cc(/C=C/C(=O)c2cccc(O)c2)cc(Br)c1[O-] ZINC000057457768 1114929305 /nfs/dbraw/zinc/92/93/05/1114929305.db2.gz DTXKGRFIKSQXIY-VOTSOKGWSA-N -1 3 363.207 4.155 20 30 FIEDHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000593201216 1115306064 /nfs/dbraw/zinc/30/60/64/1115306064.db2.gz VCZALQUHKWDPCL-UHFFFAOYSA-N -1 3 372.490 4.386 20 30 FIEDHM CC(C)(C#N)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000593947750 1115362483 /nfs/dbraw/zinc/36/24/83/1115362483.db2.gz NDJFFDNOUJXIID-KRWDZBQOSA-N -1 3 360.816 4.196 20 30 FIEDHM N#CC1(c2ccc(CN[C@@H](CC(=O)[O-])c3cccc(Cl)c3)cc2)CC1 ZINC000594691625 1115476254 /nfs/dbraw/zinc/47/62/54/1115476254.db2.gz WLAXSWMSYJTGID-SFHVURJKSA-N -1 3 354.837 4.201 20 30 FIEDHM CC1(C)CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000761254584 1115706306 /nfs/dbraw/zinc/70/63/06/1115706306.db2.gz QFFJOROZWFYWNU-UHFFFAOYSA-N -1 3 371.868 4.491 20 30 FIEDHM COc1ccc([O-])c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000603638582 1115801944 /nfs/dbraw/zinc/80/19/44/1115801944.db2.gz GHRZRLJSERFDEE-UHFFFAOYSA-N -1 3 374.396 4.104 20 30 FIEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4cccnc4)on3)sc2C1 ZINC000603727306 1115809714 /nfs/dbraw/zinc/80/97/14/1115809714.db2.gz MRURIUBSNQOOME-NSHDSACASA-N -1 3 364.430 4.047 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCCC(C)(C)C2)no1 ZINC000535250055 1116286939 /nfs/dbraw/zinc/28/69/39/1116286939.db2.gz BPQCLFLAQFUABS-CQSZACIVSA-N -1 3 354.454 4.128 20 30 FIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccc2ccccc2n1 ZINC000176453191 1119231023 /nfs/dbraw/zinc/23/10/23/1119231023.db2.gz BBMMAZNUVVOMGK-GZKZCVOOSA-N -1 3 352.397 4.011 20 30 FIEDHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000032085383 1120374918 /nfs/dbraw/zinc/37/49/18/1120374918.db2.gz SWSZQJZWOWJLFU-UHFFFAOYSA-N -1 3 356.491 4.487 20 30 FIEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1N1CCCCC1=O ZINC000915270858 1120904539 /nfs/dbraw/zinc/90/45/39/1120904539.db2.gz DKYBBCVNDFDAHH-UHFFFAOYSA-N -1 3 358.825 4.322 20 30 FIEDHM Cc1ncc(CO)c(C=Nc2ccc3cc(Br)ccc3c2)c1[O-] ZINC000763096041 1121111620 /nfs/dbraw/zinc/11/16/20/1121111620.db2.gz HATGOXZEZYWKDK-UHFFFAOYSA-N -1 3 371.234 4.254 20 30 FIEDHM COc1ccc2cc(/C=C/C(=O)c3cc(OC)c([O-])cc3OC)ccc2c1 ZINC000763106538 1121118368 /nfs/dbraw/zinc/11/83/68/1121118368.db2.gz QEIQSCFNJITFJR-WEVVVXLNSA-N -1 3 364.397 4.467 20 30 FIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)c1[N+](=O)[O-] ZINC000193812508 1121127580 /nfs/dbraw/zinc/12/75/80/1121127580.db2.gz QFMLNDNUWPGSEN-UHFFFAOYSA-N -1 3 371.418 4.058 20 30 FIEDHM CCOc1ccc(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC001649025897 1121260662 /nfs/dbraw/zinc/26/06/62/1121260662.db2.gz GASWGKZFVPGVRR-UHFFFAOYSA-N -1 3 354.233 4.353 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 ZINC001649057518 1121387575 /nfs/dbraw/zinc/38/75/75/1121387575.db2.gz ZRMKSPXFENDWBU-SFHVURJKSA-N -1 3 360.498 4.180 20 30 FIEDHM COc1cccc(-c2nc(/C=C\C(=O)c3ccc([O-])c(OC)c3)cs2)c1 ZINC000916157786 1121430989 /nfs/dbraw/zinc/43/09/89/1121430989.db2.gz QBKUTALGNKZYCS-CLFYSBASSA-N -1 3 367.426 4.429 20 30 FIEDHM COc1cc(CN=Nc2ncnc3sc(C)c(C)c32)cc(Cl)c1[O-] ZINC000916307426 1121469080 /nfs/dbraw/zinc/46/90/80/1121469080.db2.gz FJTMHXJYFLIXBE-UHFFFAOYSA-N -1 3 362.842 4.122 20 30 FIEDHM Cc1ccc(C)c(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000916368457 1121482444 /nfs/dbraw/zinc/48/24/44/1121482444.db2.gz GJMPRYYZWSZHCN-UHFFFAOYSA-N -1 3 354.504 4.358 20 30 FIEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1ccc2ccccc2n1 ZINC000916849509 1121873442 /nfs/dbraw/zinc/87/34/42/1121873442.db2.gz SVYHVVDVVRPIBK-JICACKBISA-N -1 3 350.381 4.068 20 30 FIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1 ZINC000091208851 1122250131 /nfs/dbraw/zinc/25/01/31/1122250131.db2.gz ZPOZZRGCNNXELH-UHFFFAOYSA-N -1 3 359.407 4.086 20 30 FIEDHM CC[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000917558905 1122352764 /nfs/dbraw/zinc/35/27/64/1122352764.db2.gz CKYPXJQZDSAQDS-ORWNMUSCSA-N -1 3 374.868 4.083 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(Cl)c1 ZINC000918764362 1122779671 /nfs/dbraw/zinc/77/96/71/1122779671.db2.gz BGUCZUNLFFCSTP-ZDUSSCGKSA-N -1 3 358.825 4.166 20 30 FIEDHM CC(C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(F)cc(C#N)c1 ZINC000556937066 1123243024 /nfs/dbraw/zinc/24/30/24/1123243024.db2.gz HPOMVOIZGZALOQ-UHFFFAOYSA-N -1 3 366.314 4.338 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCCC(C)C ZINC000073976242 1123267588 /nfs/dbraw/zinc/26/75/88/1123267588.db2.gz LXJDPYOYIGXVMX-OAHLLOKOSA-N -1 3 358.463 4.375 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000920041107 1123320257 /nfs/dbraw/zinc/32/02/57/1123320257.db2.gz SJEBJYYYCNYJFJ-VQIMIIECSA-N -1 3 371.525 4.177 20 30 FIEDHM CCOC(=O)c1sc([N-]C(=O)c2sccc2SC)c(C#N)c1C ZINC000609324085 1123561335 /nfs/dbraw/zinc/56/13/35/1123561335.db2.gz VNLROZCPBQCMEG-UHFFFAOYSA-N -1 3 366.489 4.141 20 30 FIEDHM COc1cc(/C=C2/Cc3c(cccc3F)C2=O)cc(Br)c1[O-] ZINC000921264452 1123606682 /nfs/dbraw/zinc/60/66/82/1123606682.db2.gz UEGOIERYVNZIEF-YHYXMXQVSA-N -1 3 363.182 4.125 20 30 FIEDHM COc1cc(/C=C2\Cc3cc(C)ccc3C2=O)cc(Br)c1[O-] ZINC000921263613 1123606829 /nfs/dbraw/zinc/60/68/29/1123606829.db2.gz HPMUPCSURQWGRD-AWNIVKPZSA-N -1 3 359.219 4.294 20 30 FIEDHM Cc1cscc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175111204 1123739749 /nfs/dbraw/zinc/73/97/49/1123739749.db2.gz FXQDDEQXTIXMQQ-SNVBAGLBSA-N -1 3 353.230 4.325 20 30 FIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(C(F)(F)F)c1 ZINC000055547351 1123911574 /nfs/dbraw/zinc/91/15/74/1123911574.db2.gz GXVSYEZLTOJZQT-UHFFFAOYSA-N -1 3 360.744 4.031 20 30 FIEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc2ccccc2n1C(F)F ZINC000179800204 1124089016 /nfs/dbraw/zinc/08/90/16/1124089016.db2.gz PVEPPAUJBYVGGT-PZBABLGHSA-N -1 3 372.762 4.369 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(Cl)cc1Cl ZINC000181099579 1124538926 /nfs/dbraw/zinc/53/89/26/1124538926.db2.gz RPJQZVURYDZYSJ-ZDUSSCGKSA-N -1 3 371.227 4.373 20 30 FIEDHM C=CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000110322115 210146051 /nfs/dbraw/zinc/14/60/51/210146051.db2.gz DIBMETCZWUZXRH-UHFFFAOYSA-N -1 3 358.463 4.009 20 30 FIEDHM COc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1[O-] ZINC000436674404 568290480 /nfs/dbraw/zinc/29/04/80/568290480.db2.gz RXSVGAUWRVOAIB-UHFFFAOYSA-N -1 3 360.369 4.317 20 30 FIEDHM O=C([N-][C@@H](C1CC1)C(F)(F)F)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001625801348 1080001897 /nfs/dbraw/zinc/00/18/97/1080001897.db2.gz URJIFKUWIZFARL-VNKGSWCUSA-N -1 3 355.253 4.473 20 30 FIEDHM N#Cc1cccc(COc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)c1 ZINC000254975653 1080127242 /nfs/dbraw/zinc/12/72/42/1080127242.db2.gz QSYPTUYMNWFGEW-UHFFFAOYSA-N -1 3 360.369 4.005 20 30 FIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)cs2)cc1 ZINC000177602375 1081233334 /nfs/dbraw/zinc/23/33/34/1081233334.db2.gz BIFDZSLDRRICCU-BLLLJJGKSA-N -1 3 356.447 4.231 20 30 FIEDHM O=C(Nc1ccccc1)N1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000255120830 1081289795 /nfs/dbraw/zinc/28/97/95/1081289795.db2.gz XSBFIDKEGJZLIM-BKUYFWCQSA-N -1 3 357.841 4.161 20 30 FIEDHM COc1cc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)ccc1[O-] ZINC000255211223 1082008040 /nfs/dbraw/zinc/00/80/40/1082008040.db2.gz UIDGOVBSGJYLEA-WAYWQWQTSA-N -1 3 371.824 4.276 20 30 FIEDHM COc1ccc2oc(/C=C/C(=O)c3cc(OC)c([O-])cc3OC)cc2c1 ZINC000160554757 1082025240 /nfs/dbraw/zinc/02/52/40/1082025240.db2.gz FYKMUIDHVOSAPM-GQCTYLIASA-N -1 3 354.358 4.060 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000430603923 1082575387 /nfs/dbraw/zinc/57/53/87/1082575387.db2.gz OSQXZTHMHHDBNS-OAHLLOKOSA-N -1 3 367.474 4.279 20 30 FIEDHM COc1cc(/C=C\C(=O)c2ccc(-n3ccnc3C)cc2)cc(Cl)c1[O-] ZINC000255327694 1082687106 /nfs/dbraw/zinc/68/71/06/1082687106.db2.gz ZNIFNKUPFWPWRB-BAQGIRSFSA-N -1 3 368.820 4.444 20 30 FIEDHM O=C(Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1)c1ccncc1 ZINC000255362817 1082807736 /nfs/dbraw/zinc/80/77/36/1082807736.db2.gz OFWHZHZSSPYQOQ-UHFFFAOYSA-N -1 3 351.793 4.444 20 30 FIEDHM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ocnc3C3CC3)sc2C1 ZINC000581772090 1082891819 /nfs/dbraw/zinc/89/18/19/1082891819.db2.gz KMBWQKOHGBGJLI-LBPRGKRZSA-N -1 3 355.463 4.498 20 30 FIEDHM CC(C)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c([O-])c1 ZINC001167688427 1083703310 /nfs/dbraw/zinc/70/33/10/1083703310.db2.gz BSAWTCKBHSHQTJ-INIZCTEOSA-N -1 3 373.250 4.273 20 30 FIEDHM CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000728427229 1084004302 /nfs/dbraw/zinc/00/43/02/1084004302.db2.gz JXBHPSZQFLJUQM-UHFFFAOYSA-N -1 3 357.263 4.294 20 30 FIEDHM COc1cc(C=NNc2cccc3cnccc32)cc(Br)c1[O-] ZINC000728431939 1084068725 /nfs/dbraw/zinc/06/87/25/1084068725.db2.gz IDWKSKBOFWJPTG-UHFFFAOYSA-N -1 3 372.222 4.158 20 30 FIEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000580479754 1084423638 /nfs/dbraw/zinc/42/36/38/1084423638.db2.gz HEFNGFPHWQKFMF-UHFFFAOYSA-N -1 3 372.302 4.400 20 30 FIEDHM COc1cc(Cl)c(Cl)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000175084407 1084877001 /nfs/dbraw/zinc/87/70/01/1084877001.db2.gz YPOFWMFRCOIUPC-NSHDSACASA-N -1 3 374.227 4.379 20 30 FIEDHM O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc([O-])c2ccccc2c1 ZINC000329585504 1087059920 /nfs/dbraw/zinc/05/99/20/1087059920.db2.gz RDRUTEQPWBEMPV-IBGZPJMESA-N -1 3 366.461 4.174 20 30 FIEDHM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1ccc(C(F)(F)F)cn1 ZINC000159685770 1087309146 /nfs/dbraw/zinc/30/91/46/1087309146.db2.gz KHAXAGITLFNQNU-OAHLLOKOSA-N -1 3 368.318 4.047 20 30 FIEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(Br)c(F)cc2F)c(F)c1 ZINC000188153859 1087703510 /nfs/dbraw/zinc/70/35/10/1087703510.db2.gz HXDRYDUNGDNSOT-UHFFFAOYSA-N -1 3 373.103 4.129 20 30 FIEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1OCC ZINC000647371081 1087782885 /nfs/dbraw/zinc/78/28/85/1087782885.db2.gz JVHDEQPXUFEFKC-CQSZACIVSA-N -1 3 356.447 4.308 20 30 FIEDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000279351993 1091881504 /nfs/dbraw/zinc/88/15/04/1091881504.db2.gz JLRBZKDBQMGUIX-UHFFFAOYSA-N -1 3 371.418 4.058 20 30 FIEDHM N#Cc1c(F)ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1Cl ZINC000432706129 1092161910 /nfs/dbraw/zinc/16/19/10/1092161910.db2.gz KOZLBKRGBHMYPK-RVDMUPIBSA-N -1 3 365.795 4.217 20 30 FIEDHM Cc1cc2c(o1)c(C([O-])=C(C#N)c1ccccn1)ccc2Br ZINC000443529666 1093243750 /nfs/dbraw/zinc/24/37/50/1093243750.db2.gz MBZXQOOIEPTUCF-ZDUSSCGKSA-N -1 3 355.191 4.389 20 30 FIEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1noc2c1C[C@H](C)CC2 ZINC000433975284 1094226084 /nfs/dbraw/zinc/22/60/84/1094226084.db2.gz FJKVPWDXNYVJTG-OLZOCXBDSA-N -1 3 355.463 4.446 20 30 FIEDHM CC(C)[C@H]1N(C(=O)NCc2ccc([O-])c(Br)c2)CC12CCC2 ZINC000330206408 1095415630 /nfs/dbraw/zinc/41/56/30/1095415630.db2.gz FCFWRGGTULWOLD-OAHLLOKOSA-N -1 3 367.287 4.079 20 30 FIEDHM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000522694041 1095578885 /nfs/dbraw/zinc/57/88/85/1095578885.db2.gz VQIMCFIEQXOMEJ-UHFFFAOYSA-N -1 3 361.463 4.068 20 30 FIEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436752515 1099288234 /nfs/dbraw/zinc/28/82/34/1099288234.db2.gz ANIPFYHIWJLSDR-UHFFFAOYSA-N -1 3 358.397 4.328 20 30 FIEDHM N#C[C@@H]([N-]C(=O)c1c(F)cc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000505936957 1099543647 /nfs/dbraw/zinc/54/36/47/1099543647.db2.gz DBHDUAUIBQSNJD-CYBMUJFWSA-N -1 3 358.241 4.117 20 30 FIEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1ccc(C(F)(F)F)cn1 ZINC000509566429 1100964462 /nfs/dbraw/zinc/96/44/62/1100964462.db2.gz FIAMTCCTOZCQFO-ZDUSSCGKSA-N -1 3 374.297 4.120 20 30 FIEDHM N#Cc1c([N-]C(=O)c2cc(Br)co2)sc2c1CCCC2 ZINC000459849410 1101429425 /nfs/dbraw/zinc/42/94/25/1101429425.db2.gz QHLSKKVBLCLEOT-UHFFFAOYSA-N -1 3 351.225 4.106 20 30 FIEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000518741604 1101488881 /nfs/dbraw/zinc/48/88/81/1101488881.db2.gz HFNSKMFJTFWHFL-UHFFFAOYSA-N -1 3 364.426 4.460 20 30 FIEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(Cl)cc1F ZINC000121986546 1101885796 /nfs/dbraw/zinc/88/57/96/1101885796.db2.gz LYVNCUVOSFWVKJ-UHFFFAOYSA-N -1 3 359.209 4.113 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000760339405 1101925647 /nfs/dbraw/zinc/92/56/47/1101925647.db2.gz JRONJFJAQQCKDW-FQEVSTJZSA-N -1 3 358.445 4.498 20 30 FIEDHM Cc1nc(-c2ccc(NC(=O)NCC3CCC(C)CC3)cc2)cc(=O)[n-]1 ZINC000328831055 1104573658 /nfs/dbraw/zinc/57/36/58/1104573658.db2.gz KUZMTCCHQCQELM-UHFFFAOYSA-N -1 3 354.454 4.310 20 30 FIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OC4CCCCC4)c3)nc1-2 ZINC000531186632 1107617684 /nfs/dbraw/zinc/61/76/84/1107617684.db2.gz WLTVJLBBUYXNEF-GOSISDBHSA-N -1 3 374.444 4.468 20 30 FIEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(Cl)c1 ZINC000523128824 1107923995 /nfs/dbraw/zinc/92/39/95/1107923995.db2.gz SBFKVLVUFOLEJQ-UHFFFAOYSA-N -1 3 374.771 4.340 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)n1[C@@H]1CCOC1 ZINC000529007351 1110175525 /nfs/dbraw/zinc/17/55/25/1110175525.db2.gz DSSFCLBQXGVYQI-GDBMZVCRSA-N -1 3 371.506 4.310 20 30 FIEDHM CCC(CC)n1nc(C)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000538366153 1111111715 /nfs/dbraw/zinc/11/17/15/1111111715.db2.gz ISOQUCQALFXDBF-AWEZNQCLSA-N -1 3 364.371 4.457 20 30 FIEDHM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nccc3ccccc32)o1 ZINC000483234358 1113468441 /nfs/dbraw/zinc/46/84/41/1113468441.db2.gz VQKDIEGFGGIHNT-GOSISDBHSA-N -1 3 354.369 4.083 20 30 FIEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000488060292 1113848083 /nfs/dbraw/zinc/84/80/83/1113848083.db2.gz WFFUCQOZRHMXOT-INIZCTEOSA-N -1 3 363.442 4.296 20 30 FIEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nc1 ZINC000573193397 1115063518 /nfs/dbraw/zinc/06/35/18/1115063518.db2.gz NJZOSMVGFRNKNN-CYBMUJFWSA-N -1 3 370.359 4.104 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc(OC)c1C ZINC000592974043 1115272701 /nfs/dbraw/zinc/27/27/01/1115272701.db2.gz MTIYYYNOSVSPHD-ZDUSSCGKSA-N -1 3 370.405 4.251 20 30 FIEDHM Cc1c(Br)ccc([O-])c1NC(=O)CC1(C#N)CCCCC1 ZINC000597706892 1115681612 /nfs/dbraw/zinc/68/16/12/1115681612.db2.gz CXKKHBCDRWLTIW-UHFFFAOYSA-N -1 3 351.244 4.266 20 30 FIEDHM C=C(C)COc1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)ccc1OC ZINC000060822102 1115711544 /nfs/dbraw/zinc/71/15/44/1115711544.db2.gz YFWFMCOCGDBCHD-VMPITWQZSA-N -1 3 354.402 4.260 20 30 FIEDHM N#Cc1ccc(CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C2CC2)cc1 ZINC000598657618 1115744185 /nfs/dbraw/zinc/74/41/85/1115744185.db2.gz QICIQUZEEUAEKS-UHFFFAOYSA-N -1 3 360.335 4.087 20 30 FIEDHM N#CC(=C([O-])c1ccc(F)cc1OC(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464407837 1118553854 /nfs/dbraw/zinc/55/38/54/1118553854.db2.gz BIAKBQGCAKUGID-NSHDSACASA-N -1 3 374.240 4.331 20 30 FIEDHM Cn1c(C(C#N)=C([O-])c2cc(Oc3ccccc3)ccn2)nc2ccccc21 ZINC000173966643 1119083600 /nfs/dbraw/zinc/08/36/00/1119083600.db2.gz IWHBSGDTGVXOSA-KRWDZBQOSA-N -1 3 368.396 4.251 20 30 FIEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000184219450 1119599198 /nfs/dbraw/zinc/59/91/98/1119599198.db2.gz GCIMRKCVQUFAKH-MRXNPFEDSA-N -1 3 372.490 4.337 20 30 FIEDHM Cc1nc(COc2ccc(F)cc2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000193253141 1120608061 /nfs/dbraw/zinc/60/80/61/1120608061.db2.gz MNGKFCCHTKIHAJ-OAHLLOKOSA-N -1 3 367.405 4.055 20 30 FIEDHM COc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c1[O-] ZINC000915088178 1120796525 /nfs/dbraw/zinc/79/65/25/1120796525.db2.gz ILSZGFDIEZOURQ-IBGZPJMESA-N -1 3 358.397 4.309 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccccc2Br)c(OC)cc1[O-] ZINC000763104377 1121116838 /nfs/dbraw/zinc/11/68/38/1121116838.db2.gz MBUBPTUDBSCEPZ-FPLPWBNLSA-N -1 3 363.207 4.068 20 30 FIEDHM CCOc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1OCC ZINC000763107447 1121119593 /nfs/dbraw/zinc/11/95/93/1121119593.db2.gz YDKMIHQVDGFZIX-CLFYSBASSA-N -1 3 372.417 4.103 20 30 FIEDHM O=C(c1cncc(C(F)(F)F)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025893 1121260901 /nfs/dbraw/zinc/26/09/01/1121260901.db2.gz FYIFNISONNQRBQ-UHFFFAOYSA-N -1 3 365.138 4.439 20 30 FIEDHM CN(C)c1cc(C(=O)N([O-])Cc2ccccc2Cl)cc(C(F)(F)F)c1 ZINC001649045935 1121301028 /nfs/dbraw/zinc/30/10/28/1121301028.db2.gz GHCOYNIDNAWGLC-UHFFFAOYSA-N -1 3 372.774 4.456 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)ccc1[O-] ZINC000915984107 1121364123 /nfs/dbraw/zinc/36/41/23/1121364123.db2.gz IMEBMIVGVLRJGY-YWEYNIOJSA-N -1 3 361.397 4.271 20 30 FIEDHM CCOc1cc(/C=C\C(=O)c2scnc2C)cc(Br)c1[O-] ZINC000915988028 1121368145 /nfs/dbraw/zinc/36/81/45/1121368145.db2.gz PUTSEIQUASVWFB-PLNGDYQASA-N -1 3 368.252 4.214 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001649056856 1121381268 /nfs/dbraw/zinc/38/12/68/1121381268.db2.gz ISYFFGFLYCHTOF-HNNXBMFYSA-N -1 3 361.511 4.311 20 30 FIEDHM Fc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1F ZINC000916368942 1121482544 /nfs/dbraw/zinc/48/25/44/1121482544.db2.gz WUFTXGKCOYMNGW-UHFFFAOYSA-N -1 3 362.430 4.020 20 30 FIEDHM O=C(c1ncccc1Br)N([O-])Cc1cccc2ccccc21 ZINC001649070187 1121542280 /nfs/dbraw/zinc/54/22/80/1121542280.db2.gz UYKAWDOWLYWEEY-UHFFFAOYSA-N -1 3 357.207 4.029 20 30 FIEDHM CS(C)(=O)=Nc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC001649069600 1121542934 /nfs/dbraw/zinc/54/29/34/1121542934.db2.gz DWQCWOUAPFFQNB-UHFFFAOYSA-N -1 3 368.458 4.231 20 30 FIEDHM Cc1c(Br)ccc(F)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001649075757 1121580053 /nfs/dbraw/zinc/58/00/53/1121580053.db2.gz DUWSFEDLPPSZLZ-UHFFFAOYSA-N -1 3 356.166 4.067 20 30 FIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000131492232 1121641196 /nfs/dbraw/zinc/64/11/96/1121641196.db2.gz LKPROIXFNNLDBC-KPZWWZAWSA-N -1 3 356.372 4.439 20 30 FIEDHM Cc1c(Cl)cnc(NCc2cc(Cl)c3cccnc3c2[O-])c1C#N ZINC001168522061 1121899416 /nfs/dbraw/zinc/89/94/16/1121899416.db2.gz OJRCLEAESVXTGQ-UHFFFAOYSA-N -1 3 359.216 4.434 20 30 FIEDHM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000916916621 1121925459 /nfs/dbraw/zinc/92/54/59/1121925459.db2.gz YDHJFBCVLONPSK-HNNXBMFYSA-N -1 3 362.410 4.065 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000066545031 1122072555 /nfs/dbraw/zinc/07/25/55/1122072555.db2.gz HWQPHJSHMCOVHZ-QGZVFWFLSA-N -1 3 359.410 4.180 20 30 FIEDHM CCOC(=O)C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000917556578 1122359865 /nfs/dbraw/zinc/35/98/65/1122359865.db2.gz DDHARMPZGHWKIF-WCEBZYJUSA-N -1 3 361.825 4.168 20 30 FIEDHM O=C(Nc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1)c1ccncc1 ZINC000917557669 1122361443 /nfs/dbraw/zinc/36/14/43/1122361443.db2.gz FXYOVBRXQPYCAO-YDZHTSKRSA-N -1 3 365.820 4.312 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000920041106 1123320112 /nfs/dbraw/zinc/32/01/12/1123320112.db2.gz SJEBJYYYCNYJFJ-QFBILLFUSA-N -1 3 371.525 4.177 20 30 FIEDHM Cc1ncc(CO)c(C=Nc2cccc(COC3CCCCC3)c2)c1[O-] ZINC000921138319 1123569744 /nfs/dbraw/zinc/56/97/44/1123569744.db2.gz DVBVEIANTXPXLL-UHFFFAOYSA-N -1 3 354.450 4.188 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000179848807 1124118372 /nfs/dbraw/zinc/11/83/72/1124118372.db2.gz KQIITGGWCFGSNG-ZDUSSCGKSA-N -1 3 371.227 4.373 20 30 FIEDHM N#CCCSc1ccc(C(F)(F)F)cc1[N-]C(=O)c1cscn1 ZINC000108242212 1124268523 /nfs/dbraw/zinc/26/85/23/1124268523.db2.gz RTZXSDZDAMDKEO-UHFFFAOYSA-N -1 3 357.382 4.420 20 30 FIEDHM N#Cc1cccc(COc2cccc(CNCc3cccc(C(=O)[O-])c3)c2)c1 ZINC000617338523 1124514224 /nfs/dbraw/zinc/51/42/24/1124514224.db2.gz KWLHIABCYRKILM-UHFFFAOYSA-N -1 3 372.424 4.125 20 30 FIEDHM N#CC(=C([O-])c1ccc(OC(F)F)c(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000499451779 1124704828 /nfs/dbraw/zinc/70/48/28/1124704828.db2.gz ABITTWXXKBTDHQ-SNVBAGLBSA-N -1 3 374.240 4.331 20 30 FIEDHM Cc1sc2[n-]c(CN[C@@H](C)CC#N)nc(=O)c2c1-c1ccc(C)cc1 ZINC000602867169 568008406 /nfs/dbraw/zinc/00/84/06/568008406.db2.gz BLJVSKBMECZNBZ-LBPRGKRZSA-N -1 3 352.463 4.073 20 30 FIEDHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)[C@@H]1CCC[C@H]1C#N ZINC000602978688 568036437 /nfs/dbraw/zinc/03/64/37/568036437.db2.gz VCHDFWYPCBKLBD-GOEBONIOSA-N -1 3 364.474 4.188 20 30 FIEDHM Cc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1[O-] ZINC000436650723 568230186 /nfs/dbraw/zinc/23/01/86/568230186.db2.gz BIZJONGVZOYPKS-UHFFFAOYSA-N -1 3 358.397 4.404 20 30 FIEDHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000569164105 568298405 /nfs/dbraw/zinc/29/84/05/568298405.db2.gz VDBRLYJKUIXBGM-UHFFFAOYSA-N -1 3 370.858 4.264 20 30 FIEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(Oc3ccncc3)c2)nc(C)n1 ZINC000604690943 568346037 /nfs/dbraw/zinc/34/60/37/568346037.db2.gz QIQVYNSUWSCTNY-GOSISDBHSA-N -1 3 358.401 4.079 20 30 FIEDHM [O-]c1c(O)ccc(C=Nc2ccc(N3CCc4sccc4C3)cc2)c1O ZINC000255035972 1080444301 /nfs/dbraw/zinc/44/43/01/1080444301.db2.gz VAPRWKLNMLNENX-UHFFFAOYSA-N -1 3 366.442 4.178 20 30 FIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)cs2)cc1 ZINC000177599696 1081233686 /nfs/dbraw/zinc/23/36/86/1081233686.db2.gz DWTCTCBBTQQVMI-INIZCTEOSA-N -1 3 356.447 4.060 20 30 FIEDHM Cc1ccn(-c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2)n1 ZINC000430607860 1082618540 /nfs/dbraw/zinc/61/85/40/1082618540.db2.gz BNUJEAXPODJQIL-MRXNPFEDSA-N -1 3 364.474 4.425 20 30 FIEDHM [O-]c1c(O)ccc(C=Nc2ccc(SCc3cccnc3)cc2)c1O ZINC000255340950 1082761200 /nfs/dbraw/zinc/76/12/00/1082761200.db2.gz SYCANOLBDVJVNG-UHFFFAOYSA-N -1 3 352.415 4.241 20 30 FIEDHM N#Cc1ccc2c(c1)CN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])C2 ZINC001143410184 1083233341 /nfs/dbraw/zinc/23/33/41/1083233341.db2.gz SJQQLZFCHRKPAL-UHFFFAOYSA-N -1 3 368.436 4.205 20 30 FIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)ncc2C)cc1 ZINC000892500535 1083869480 /nfs/dbraw/zinc/86/94/80/1083869480.db2.gz BEOCVOKMDIUNKC-PXAZEXFGSA-N -1 3 353.397 4.004 20 30 FIEDHM Cc1noc2nc(-c3ccc(C)cc3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000181409366 1083906747 /nfs/dbraw/zinc/90/67/47/1083906747.db2.gz IUFZOXWVLYGLPK-KRWDZBQOSA-N -1 3 368.396 4.392 20 30 FIEDHM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000329519505 1087006389 /nfs/dbraw/zinc/00/63/89/1087006389.db2.gz NZDCRRQWRVKELM-PBHICJAKSA-N -1 3 354.454 4.452 20 30 FIEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000119075739 1089622778 /nfs/dbraw/zinc/62/27/78/1089622778.db2.gz BMEUEWPJCTVKBM-CYBMUJFWSA-N -1 3 350.344 4.148 20 30 FIEDHM Cc1cc(O[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1C(C)C ZINC000051266445 1090154527 /nfs/dbraw/zinc/15/45/27/1090154527.db2.gz ZRQYLDIDUFLTOB-JTQLQIEISA-N -1 3 356.348 4.311 20 30 FIEDHM Cc1cc(O[C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1C(C)C ZINC000051266445 1090154530 /nfs/dbraw/zinc/15/45/30/1090154530.db2.gz ZRQYLDIDUFLTOB-JTQLQIEISA-N -1 3 356.348 4.311 20 30 FIEDHM C=CCOc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417634773 1090946184 /nfs/dbraw/zinc/94/61/84/1090946184.db2.gz VUHQAWKDCQLEGM-WMZOPIPTSA-N -1 3 357.837 4.308 20 30 FIEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc([O-])c1Br ZINC000418148831 1091084010 /nfs/dbraw/zinc/08/40/10/1091084010.db2.gz UERRAEMHVLDRST-INIZCTEOSA-N -1 3 357.251 4.194 20 30 FIEDHM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3ccccn3)s2)c(F)c1 ZINC000501329173 1094638848 /nfs/dbraw/zinc/63/88/48/1094638848.db2.gz XTFMFGJMKOYHFQ-AWEZNQCLSA-N -1 3 367.405 4.151 20 30 FIEDHM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000522830526 1095749931 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369.428 4.359 20 30 FIEDHM N#Cc1ccc(OC2CCN(Cc3cccc([O-])c3Cl)CC2)c(F)c1 ZINC000590366554 1114925516 /nfs/dbraw/zinc/92/55/16/1114925516.db2.gz GFFAVDLPFBJSHL-UHFFFAOYSA-N -1 3 360.816 4.100 20 30 FIEDHM COc1ccc(C=NNc2ccccc2Cl)c(Br)c1[O-] ZINC000760997951 1115266418 /nfs/dbraw/zinc/26/64/18/1115266418.db2.gz XVARLVASWXTXRX-UHFFFAOYSA-N -1 3 355.619 4.263 20 30 FIEDHM N#CC(=C([O-])c1ccc(-n2cccn2)cc1)c1nc2cc(F)ccc2s1 ZINC000592973722 1115272651 /nfs/dbraw/zinc/27/26/51/1115272651.db2.gz JLYIJRDLVUTPDG-OAHLLOKOSA-N -1 3 362.389 4.111 20 30 FIEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593196164 1115305402 /nfs/dbraw/zinc/30/54/02/1115305402.db2.gz QFCMMAXMGXBPLG-UHFFFAOYSA-N -1 3 358.463 4.076 20 30 FIEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc(Cl)ccc2o1 ZINC000129940832 1115740641 /nfs/dbraw/zinc/74/06/41/1115740641.db2.gz XWRABBPGPPSBMM-ZDUSSCGKSA-N -1 3 368.776 4.056 20 30 FIEDHM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000464187798 1118476751 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CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1 ZINC000131499157 1121739367 /nfs/dbraw/zinc/73/93/67/1121739367.db2.gz QYDGQMIOQNKHGG-ZBEGNZNMSA-N -1 3 355.463 4.235 20 30 FIEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccccn1 ZINC000066507072 1122069550 /nfs/dbraw/zinc/06/95/50/1122069550.db2.gz DFSXXJUFLGAGPX-ZDUSSCGKSA-N -1 3 357.200 4.064 20 30 FIEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(C)c1 ZINC000055640138 1122259524 /nfs/dbraw/zinc/25/95/24/1122259524.db2.gz ZGMDFIHSZBNUTG-UHFFFAOYSA-N -1 3 358.463 4.095 20 30 FIEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2c(Cl)ccc(F)c2Cl)c1[O-] ZINC000917558569 1122352163 /nfs/dbraw/zinc/35/21/63/1122352163.db2.gz QRUSTTHMTJWALK-PGJMODCWSA-N -1 3 357.212 4.214 20 30 FIEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2c(Cl)ccc(F)c2Cl)c1[O-] ZINC000917558568 1122352449 /nfs/dbraw/zinc/35/24/49/1122352449.db2.gz QRUSTTHMTJWALK-FYGDVGIVSA-N -1 3 357.212 4.214 20 30 FIEDHM CC[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000917558907 1122353246 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Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn4ccccc4n3)n2)cc1 ZINC000499600853 1125270848 /nfs/dbraw/zinc/27/08/48/1125270848.db2.gz PTUMHPBDIWTCSX-HNNXBMFYSA-N -1 3 358.426 4.256 20 30 FIEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000604005445 568195885 /nfs/dbraw/zinc/19/58/85/568195885.db2.gz NTSSEXLNIWDRHN-KRWDZBQOSA-N -1 3 363.442 4.482 20 30 FIEDHM COc1cc(/C=C\C(=O)c2cccc(F)c2F)cc(Br)c1[O-] ZINC000588386929 1082087203 /nfs/dbraw/zinc/08/72/03/1082087203.db2.gz QNIWVWKWDMLWBE-WAYWQWQTSA-N -1 3 369.161 4.338 20 30 FIEDHM CCOc1ccc(O)c(C=Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1 ZINC000255269062 1082330840 /nfs/dbraw/zinc/33/08/40/1082330840.db2.gz KMUVXYMOVLRHFG-UHFFFAOYSA-N -1 3 363.417 4.267 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000430603922 1082574941 /nfs/dbraw/zinc/57/49/41/1082574941.db2.gz OSQXZTHMHHDBNS-HNNXBMFYSA-N -1 3 367.474 4.279 20 30 FIEDHM [O-]c1ccc(Br)cc1C=Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000255378667 1082999503 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FIEDHM COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc(Cl)c1[O-] ZINC000215259148 1088218022 /nfs/dbraw/zinc/21/80/22/1088218022.db2.gz TXYKUACNWDADRS-WTKPLQERSA-N -1 3 371.820 4.077 20 30 FIEDHM N#Cc1c[nH]c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000179934959 1088761501 /nfs/dbraw/zinc/76/15/01/1088761501.db2.gz DIBKEVOLRNBJJZ-UHFFFAOYSA-N -1 3 360.398 4.121 20 30 FIEDHM CC[C@H](c1nnc([N-]C(=O)c2cc(C#N)oc2C)s1)c1ccccc1 ZINC000435679588 1089838173 /nfs/dbraw/zinc/83/81/73/1089838173.db2.gz AKVWLXSUMPGXTG-AWEZNQCLSA-N -1 3 352.419 4.105 20 30 FIEDHM Cc1ccc(-c2nn(-c3ccccc3)cc2C([O-])=C(C#N)c2ccccn2)o1 ZINC000046706082 1090013581 /nfs/dbraw/zinc/01/35/81/1090013581.db2.gz DTMNHMZUZCHNLK-KRWDZBQOSA-N -1 3 368.396 4.326 20 30 FIEDHM CC(C)n1ncc2c1nc(-c1ccco1)cc2C([O-])=C(C#N)c1ccccn1 ZINC000041492151 1090229726 /nfs/dbraw/zinc/22/97/26/1090229726.db2.gz SSDRWEKNLYHCMO-HNNXBMFYSA-N -1 3 371.400 4.157 20 30 FIEDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCc4cc(C#N)ccc43)nc2)n1 ZINC000419012850 1092434702 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FIEDHM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccc2n1 ZINC000509574149 1100968232 /nfs/dbraw/zinc/96/82/32/1100968232.db2.gz ZEMAVZVPPNRPOL-HNNXBMFYSA-N -1 3 355.319 4.447 20 30 FIEDHM C=CCC[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648431715 1101322210 /nfs/dbraw/zinc/32/22/10/1101322210.db2.gz BACFHIPRUWHACS-CYBMUJFWSA-N -1 3 371.790 4.209 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000760339408 1101925822 /nfs/dbraw/zinc/92/58/22/1101925822.db2.gz JRONJFJAQQCKDW-HXUWFJFHSA-N -1 3 358.445 4.498 20 30 FIEDHM N#CCCCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426801473 1102998990 /nfs/dbraw/zinc/99/89/90/1102998990.db2.gz RCZVPVKYERHSGY-IBGZPJMESA-N -1 3 372.852 4.328 20 30 FIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1C(F)(F)F ZINC000189741052 1104884757 /nfs/dbraw/zinc/88/47/57/1104884757.db2.gz YUKJYQVXXLPLPJ-UHFFFAOYSA-N -1 3 366.773 4.093 20 30 FIEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1nc2ccccc2n1C(F)F ZINC000531787501 1108179085 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FIEDHM Fc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(F)c1 ZINC000916368939 1121482264 /nfs/dbraw/zinc/48/22/64/1121482264.db2.gz WQRHDZGFESKFMD-UHFFFAOYSA-N -1 3 362.430 4.020 20 30 FIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(F)c(F)c1 ZINC000130461541 1121591981 /nfs/dbraw/zinc/59/19/81/1121591981.db2.gz HHGXEXJXADTWSJ-GFCCVEGCSA-N -1 3 369.154 4.233 20 30 FIEDHM Cc1ccc(-c2cncc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2)cc1 ZINC000124412550 1121690916 /nfs/dbraw/zinc/69/09/16/1121690916.db2.gz QYXZLDUSERZPNR-LJQANCHMSA-N -1 3 366.424 4.434 20 30 FIEDHM Cc1nc(C(C)C)sc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916882709 1121909335 /nfs/dbraw/zinc/90/93/35/1121909335.db2.gz AWZWVKKRCNEBRO-CYBMUJFWSA-N -1 3 361.854 4.190 20 30 FIEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CSc1ccccc1 ZINC000916912314 1121933436 /nfs/dbraw/zinc/93/34/36/1121933436.db2.gz ZYQTXXCHTDMMLW-PLSXKVAHSA-N -1 3 356.834 4.293 20 30 FIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000131542504 1122011927 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CCCCCCC[C@H](CC(=O)[O-])NCc1csc(-c2ccccn2)n1 ZINC000277222411 1084035669 /nfs/dbraw/zinc/03/56/69/1084035669.db2.gz HYNGJCQWCQSHNC-OAHLLOKOSA-N -1 3 361.511 4.499 20 30 FIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)cs2)cc1 ZINC000177602342 1084137118 /nfs/dbraw/zinc/13/71/18/1084137118.db2.gz BIFDZSLDRRICCU-WBMJQRKESA-N -1 3 356.447 4.231 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3ccccc3n2CC#N)s1 ZINC000684674087 1084183035 /nfs/dbraw/zinc/18/30/35/1084183035.db2.gz FCEDBEHRDGNCFT-AWEZNQCLSA-N -1 3 362.458 4.409 20 30 FIEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc2cc(Cl)ccc2s1 ZINC000120035902 1084834294 /nfs/dbraw/zinc/83/42/94/1084834294.db2.gz LZMPOGSOVFEXLH-CYBMUJFWSA-N -1 3 354.818 4.375 20 30 FIEDHM CC(=O)c1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1[O-] ZINC000582411536 1084979291 /nfs/dbraw/zinc/97/92/91/1084979291.db2.gz GDYWLPCTVMRGBW-UHFFFAOYSA-N -1 3 361.401 4.106 20 30 FIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cnc([C@H]3CCCO3)s2)s1 ZINC000584337219 1087271902 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Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000041519077 1094641113 /nfs/dbraw/zinc/64/11/13/1094641113.db2.gz WMYXFKSWQHDUDO-CQSZACIVSA-N -1 3 367.455 4.255 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C(C)C)[C@H](C)c1ccsc1 ZINC000421689234 1095828059 /nfs/dbraw/zinc/82/80/59/1095828059.db2.gz JMENBDPVKAREHC-OAHLLOKOSA-N -1 3 371.506 4.268 20 30 FIEDHM C=CCc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(OC)c1O ZINC000436961590 1099462757 /nfs/dbraw/zinc/46/27/57/1099462757.db2.gz BRTCMCGAOKYLOY-RGEXLXHISA-N -1 3 374.440 4.408 20 30 FIEDHM C[C@@H](C(=O)[N-][C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)C(F)(F)F ZINC000648581845 1099737476 /nfs/dbraw/zinc/73/74/76/1099737476.db2.gz HYHSIZNHBMBSHO-KGFZYKRKSA-N -1 3 356.241 4.225 20 30 FIEDHM C=CCn1c(=O)[n-]nc1S[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000550015264 1101317253 /nfs/dbraw/zinc/31/72/53/1101317253.db2.gz VCPBJARDXMRMKL-HNNXBMFYSA-N -1 3 365.886 4.083 20 30 FIEDHM N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1ccc(C(F)(F)F)cn1 ZINC000429668750 1101558562 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4.362 20 30 FIEDHM C[C@]([N-]C(=O)c1cc(F)c(F)c(F)c1F)(c1ccccc1)C(F)(F)F ZINC000537750816 1103913338 /nfs/dbraw/zinc/91/33/38/1103913338.db2.gz BAQYHTDGSLHSIZ-HNNXBMFYSA-N -1 3 365.248 4.451 20 30 FIEDHM N#CCc1cccc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1 ZINC000524047799 1108786126 /nfs/dbraw/zinc/78/61/26/1108786126.db2.gz ZLKRBPXTKJPCTP-UHFFFAOYSA-N -1 3 371.227 4.124 20 30 FIEDHM Cc1c2ccccc2oc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000445507211 1108823847 /nfs/dbraw/zinc/82/38/47/1108823847.db2.gz UDQAVHOPHZDUGU-UHFFFAOYSA-N -1 3 374.400 4.166 20 30 FIEDHM CCCc1nc(C(=O)[N-]c2sccc2C#N)nn1-c1ccccc1Cl ZINC000121706142 1109408479 /nfs/dbraw/zinc/40/84/79/1109408479.db2.gz XGRWGGURSZCPJX-UHFFFAOYSA-N -1 3 371.853 4.059 20 30 FIEDHM N#CC[C@H](CC(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000527521575 1109773244 /nfs/dbraw/zinc/77/32/44/1109773244.db2.gz RUPCXEAHYIMSGY-CYBMUJFWSA-N -1 3 359.223 4.181 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)n1[C@H]1CCOC1 ZINC000528913710 1110148367 /nfs/dbraw/zinc/14/83/67/1110148367.db2.gz NWMLECKDTCUMRZ-HOCLYGCPSA-N -1 3 365.458 4.166 20 30 FIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000477845743 1111583628 /nfs/dbraw/zinc/58/36/28/1111583628.db2.gz HPPXRGDIMYFIJO-INIZCTEOSA-N -1 3 360.398 4.001 20 30 FIEDHM CCCOc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000159747543 1113233159 /nfs/dbraw/zinc/23/31/59/1113233159.db2.gz DNIBZJLORNFCOC-INIZCTEOSA-N -1 3 363.442 4.484 20 30 FIEDHM N#CC(=C([O-])c1cccc(OCC(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483190394 1113463368 /nfs/dbraw/zinc/46/33/68/1113463368.db2.gz CZMIFOJXWLQYLO-AWEZNQCLSA-N -1 3 371.318 4.061 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)(C)C)c1ccccc1 ZINC000486604481 1113603950 /nfs/dbraw/zinc/60/39/50/1113603950.db2.gz QXJOJGVLWHVKKN-UHFFFAOYSA-N -1 3 365.477 4.288 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000570720892 1114295908 /nfs/dbraw/zinc/29/59/08/1114295908.db2.gz STEYZOGEIPERIM-UHFFFAOYSA-N -1 3 361.637 4.319 20 30 FIEDHM COc1ccc(C=NNc2cccc(Cl)c2)c(Br)c1[O-] ZINC000760995416 1115263131 /nfs/dbraw/zinc/26/31/31/1115263131.db2.gz FXSRJVHVRXXQIN-UHFFFAOYSA-N -1 3 355.619 4.263 20 30 FIEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1scc2c1OCCO2 ZINC000593976790 1115360217 /nfs/dbraw/zinc/36/02/17/1115360217.db2.gz YWZZZCZJCJUVEZ-LLVKDONJSA-N -1 3 360.460 4.023 20 30 FIEDHM N#Cc1c([N-]C(=O)c2ncnc3ccsc32)sc2c1CCCCC2 ZINC000598802167 1115755228 /nfs/dbraw/zinc/75/52/28/1115755228.db2.gz UGYNXULILOEUEY-UHFFFAOYSA-N -1 3 354.460 4.146 20 30 FIEDHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000063172886 1116016292 /nfs/dbraw/zinc/01/62/92/1116016292.db2.gz DFLZNFUIOKYLCK-UHFFFAOYSA-N -1 3 358.463 4.122 20 30 FIEDHM CCc1c(C)sc([N-]C(=O)c2cnc(-c3ccccn3)s2)c1C#N ZINC000609031437 1116141650 /nfs/dbraw/zinc/14/16/50/1116141650.db2.gz MZKKABOFVYSTHI-UHFFFAOYSA-N -1 3 354.460 4.261 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Nc3cnn(C)c3)c2)n1 ZINC000534994340 1116260321 /nfs/dbraw/zinc/26/03/21/1116260321.db2.gz HKZWWJYHLPYWLP-INIZCTEOSA-N -1 3 365.462 4.234 20 30 FIEDHM C[C@@]([N-]C(=O)c1c(F)cc(C#N)cc1F)(c1ccc(F)cc1)C(F)(F)F ZINC000541008242 1118343427 /nfs/dbraw/zinc/34/34/27/1118343427.db2.gz DFBWGQYTJITAPL-MRXNPFEDSA-N -1 3 372.268 4.183 20 30 FIEDHM COc1cc(Cl)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421894 1118559341 /nfs/dbraw/zinc/55/93/41/1118559341.db2.gz SLYSDQRHTUXXES-LBPRGKRZSA-N -1 3 354.715 4.252 20 30 FIEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(Cl)cc1F ZINC000494420692 1119861473 /nfs/dbraw/zinc/86/14/73/1119861473.db2.gz GBHWIJWNSNHYPQ-UHFFFAOYSA-N -1 3 359.209 4.113 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2CCCCCCC2)no1 ZINC000762363733 1120888845 /nfs/dbraw/zinc/88/88/45/1120888845.db2.gz RIMOMPZIIPZMFR-UHFFFAOYSA-N -1 3 354.454 4.272 20 30 FIEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000193475555 1120924475 /nfs/dbraw/zinc/92/44/75/1120924475.db2.gz RYCYPIQWIUPWRU-LLVKDONJSA-N -1 3 350.802 4.064 20 30 FIEDHM COc1cc(C(=O)/C=C\c2ccccc2C(F)(F)F)c(OC)cc1[O-] ZINC000763105108 1121118307 /nfs/dbraw/zinc/11/83/07/1121118307.db2.gz JFRRZAKZRDBNLG-FPLPWBNLSA-N -1 3 352.308 4.324 20 30 FIEDHM CC(C)N(CCC(=O)N([O-])Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC001649046059 1121306372 /nfs/dbraw/zinc/30/63/72/1121306372.db2.gz JUCHEBYPUNHUJH-UHFFFAOYSA-N -1 3 370.877 4.093 20 30 FIEDHM Fc1ccc(F)c(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000915955279 1121352965 /nfs/dbraw/zinc/35/29/65/1121352965.db2.gz CGGLOMKFVFLDTR-UHFFFAOYSA-N -1 3 362.430 4.020 20 30 FIEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000915982274 1121362520 /nfs/dbraw/zinc/36/25/20/1121362520.db2.gz VLZIMBZLDHQIAH-ASKIBSTCSA-N -1 3 373.250 4.220 20 30 FIEDHM CCOc1cc(/C=C/C(=O)c2scnc2C)cc(Br)c1[O-] ZINC000915988037 1121367811 /nfs/dbraw/zinc/36/78/11/1121367811.db2.gz PUTSEIQUASVWFB-SNAWJCMRSA-N -1 3 368.252 4.214 20 30 FIEDHM CCCCCCN([O-])C(=O)c1c(Br)ccc(OCC)c1F ZINC001649057266 1121383790 /nfs/dbraw/zinc/38/37/90/1121383790.db2.gz VRIOITGAMKEUMR-UHFFFAOYSA-N -1 3 362.239 4.399 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 ZINC001649057517 1121387749 /nfs/dbraw/zinc/38/77/49/1121387749.db2.gz ZRMKSPXFENDWBU-GOSISDBHSA-N -1 3 360.498 4.180 20 30 FIEDHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001649069625 1121543341 /nfs/dbraw/zinc/54/33/41/1121543341.db2.gz FNPDZSYWWRQZKK-GFCCVEGCSA-N -1 3 371.330 4.321 20 30 FIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000131541902 1122012163 /nfs/dbraw/zinc/01/21/63/1122012163.db2.gz GEIDSZINYUSBMK-ACJLOTCBSA-N -1 3 365.389 4.069 20 30 FIEDHM N#CC1(c2ccnc(NCc3cc(Cl)c4cccnc4c3[O-])c2)CC1 ZINC001168523074 1122228512 /nfs/dbraw/zinc/22/85/12/1122228512.db2.gz YWHKGXDPURNIIA-UHFFFAOYSA-N -1 3 350.809 4.156 20 30 FIEDHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[N-]c1sccc1C#N ZINC000107429299 1122282363 /nfs/dbraw/zinc/28/23/63/1122282363.db2.gz IRCPVUHUVMPJED-UHFFFAOYSA-N -1 3 366.446 4.093 20 30 FIEDHM CCOC(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(OC)c1 ZINC000917556575 1122359821 /nfs/dbraw/zinc/35/98/21/1122359821.db2.gz DDHARMPZGHWKIF-CTPANLQCSA-N -1 3 361.825 4.168 20 30 FIEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC001127437573 1122658657 /nfs/dbraw/zinc/65/86/57/1122658657.db2.gz HFTJBRJGZJOWHQ-UHFFFAOYSA-N -1 3 358.785 4.122 20 30 FIEDHM Cc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000194792894 1122832999 /nfs/dbraw/zinc/83/29/99/1122832999.db2.gz KKPYMMOHGUSHCG-SNVBAGLBSA-N -1 3 360.508 4.183 20 30 FIEDHM Cc1cc(Cl)cc(C)c1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000921234243 1123595331 /nfs/dbraw/zinc/59/53/31/1123595331.db2.gz XHSVAXULHQHLQP-UHFFFAOYSA-N -1 3 358.825 4.084 20 30 FIEDHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000079988435 1123942137 /nfs/dbraw/zinc/94/21/37/1123942137.db2.gz KGEDHVFEBIXQJR-UHFFFAOYSA-N -1 3 353.165 4.039 20 30 FIEDHM CCc1c(C)sc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1C#N ZINC000068677719 1124311731 /nfs/dbraw/zinc/31/17/31/1124311731.db2.gz VMLDKUBDZBZDNH-UHFFFAOYSA-N -1 3 361.448 4.373 20 30 FIEDHM N#CC(=C([O-])c1ccc(OC(F)F)c(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000499451778 1124704519 /nfs/dbraw/zinc/70/45/19/1124704519.db2.gz ABITTWXXKBTDHQ-JTQLQIEISA-N -1 3 374.240 4.331 20 30 FIEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001212482810 1125305207 /nfs/dbraw/zinc/30/52/07/1125305207.db2.gz KPZPJSIGOJMYOX-CJNGLKHVSA-N -1 3 351.443 4.294 20 30 FIEDHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000570439975 568476691 /nfs/dbraw/zinc/47/66/91/568476691.db2.gz OPUZHGKLNBWRIV-JKSUJKDBSA-N -1 3 358.445 4.441 20 30 FIEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000153130346 1125744687 /nfs/dbraw/zinc/74/46/87/1125744687.db2.gz TZJRRJPYSHYXCJ-CYBMUJFWSA-N -1 3 355.463 4.448 20 30 FIEDHM O=C([N-][C@H](C1CC1)C(F)(F)F)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001625801349 1080002418 /nfs/dbraw/zinc/00/24/18/1080002418.db2.gz URJIFKUWIZFARL-YTRUQHMWSA-N -1 3 355.253 4.473 20 30 FIEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc2ccccc2n1C(F)F ZINC000255369571 1082961737 /nfs/dbraw/zinc/96/17/37/1082961737.db2.gz PVEPPAUJBYVGGT-SMYYYNMVSA-N -1 3 372.762 4.369 20 30 FIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc2ccc(Cl)cc2n1 ZINC000083937552 1083003003 /nfs/dbraw/zinc/00/30/03/1083003003.db2.gz XMIXXHQNCWEJCX-AWEZNQCLSA-N -1 3 360.804 4.265 20 30 FIEDHM Cc1ccc(C(=O)NC2CC2)cc1N=Cc1cc(Br)ccc1[O-] ZINC000255674549 1083372235 /nfs/dbraw/zinc/37/22/35/1083372235.db2.gz LSDRFUINDQAOQC-UHFFFAOYSA-N -1 3 373.250 4.106 20 30 FIEDHM N#CC(=C([O-])c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccn1 ZINC000046440084 1084028569 /nfs/dbraw/zinc/02/85/69/1084028569.db2.gz JNRKZTTWUARHTG-IBGZPJMESA-N -1 3 364.408 4.424 20 30 FIEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)c(C)c1 ZINC001267525564 1084165105 /nfs/dbraw/zinc/16/51/05/1084165105.db2.gz AQWGQCMDYNCSIH-LJQANCHMSA-N -1 3 370.424 4.350 20 30 FIEDHM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 ZINC000583896135 1087022824 /nfs/dbraw/zinc/02/28/24/1087022824.db2.gz MBVHTYBADMABPO-LLVKDONJSA-N -1 3 359.229 4.004 20 30 FIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161954350 1087060308 /nfs/dbraw/zinc/06/03/08/1087060308.db2.gz GVXVERTWNPYBRW-JTQLQIEISA-N -1 3 369.154 4.233 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1OC(F)F ZINC000647371198 1087783071 /nfs/dbraw/zinc/78/30/71/1087783071.db2.gz MFAWAFWGZANMFJ-LLVKDONJSA-N -1 3 364.373 4.121 20 30 FIEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccnc(Cl)c1 ZINC000181244690 1088280045 /nfs/dbraw/zinc/28/00/45/1088280045.db2.gz OIINUYMGYXRLCC-LFAOLKIESA-N -1 3 363.804 4.130 20 30 FIEDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc(C)c(CC)c2C#N)c1 ZINC000549299164 1089638306 /nfs/dbraw/zinc/63/83/06/1089638306.db2.gz CPENQFJUFJGVCJ-UHFFFAOYSA-N -1 3 359.407 4.050 20 30 FIEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc([O-])c1Br ZINC000418148841 1091083936 /nfs/dbraw/zinc/08/39/36/1091083936.db2.gz UERRAEMHVLDRST-MRXNPFEDSA-N -1 3 357.251 4.194 20 30 FIEDHM CCCOc1c(Cl)cc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041521003 1094641740 /nfs/dbraw/zinc/64/17/40/1094641740.db2.gz HYECYWDESSAOSE-LBPRGKRZSA-N -1 3 364.854 4.392 20 30 FIEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(Cn2cccn2)cc1 ZINC000016703008 1096327195 /nfs/dbraw/zinc/32/71/95/1096327195.db2.gz XKEBBNZRPWXVRB-UDWIEESQSA-N -1 3 370.250 4.019 20 30 FIEDHM C=CCOc1ccccc1[C@H](C)Oc1cc(C(F)(F)F)nc(=S)[n-]1 ZINC001225853882 1099195481 /nfs/dbraw/zinc/19/54/81/1099195481.db2.gz SKCNGISEFKQFTP-JTQLQIEISA-N -1 3 356.369 4.489 20 30 FIEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436759966 1099274813 /nfs/dbraw/zinc/27/48/13/1099274813.db2.gz JLACJHPXVIDJLF-UHFFFAOYSA-N -1 3 358.397 4.328 20 30 FIEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000437192501 1099696100 /nfs/dbraw/zinc/69/61/00/1099696100.db2.gz XWYVVSFOLFTFGZ-OAHLLOKOSA-N -1 3 364.430 4.032 20 30 FIEDHM CCOc1ccc(Nc2ncccc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000537266345 1101593355 /nfs/dbraw/zinc/59/33/55/1101593355.db2.gz OPXUTVUVDUMHNK-GOSISDBHSA-N -1 3 358.401 4.109 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1cccc(C(C)C)c1 ZINC000760355329 1101936002 /nfs/dbraw/zinc/93/60/02/1101936002.db2.gz BFLFZDPTMRGISG-HXUWFJFHSA-N -1 3 358.445 4.498 20 30 FIEDHM C=CCCCN(C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000121065278 1102319338 /nfs/dbraw/zinc/31/93/38/1102319338.db2.gz IQOAQSRXGSDCCD-UHFFFAOYSA-N -1 3 369.490 4.058 20 30 FIEDHM CCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1[O-] ZINC000007744180 1106978875 /nfs/dbraw/zinc/97/88/75/1106978875.db2.gz LUOJFKVXIDJVLS-BQYQJAHWSA-N -1 3 359.809 4.299 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1csc2ccccc12 ZINC000487472993 1107016385 /nfs/dbraw/zinc/01/63/85/1107016385.db2.gz LLJUQQHDDFGCEI-UHFFFAOYSA-N -1 3 351.431 4.062 20 30 FIEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3cc(F)ccc3[O-])c2)c1 ZINC000530896834 1107386473 /nfs/dbraw/zinc/38/64/73/1107386473.db2.gz BSEQVTRMKQJALP-UHFFFAOYSA-N -1 3 362.360 4.234 20 30 FIEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1nc2ccccc2n1C(F)F ZINC000531787513 1108179444 /nfs/dbraw/zinc/17/94/44/1108179444.db2.gz QORDIXBYRYVZEH-ZDUSSCGKSA-N -1 3 352.344 4.194 20 30 FIEDHM COc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)cc1OC ZINC000447235933 1109481900 /nfs/dbraw/zinc/48/19/00/1109481900.db2.gz DJFFBJPWRULRLO-CYBMUJFWSA-N -1 3 352.415 4.112 20 30 FIEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447276017 1109493854 /nfs/dbraw/zinc/49/38/54/1109493854.db2.gz ZOTDCLUMXMDOBD-UHFFFAOYSA-N -1 3 356.378 4.067 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)n1[C@@H]1CCOC1 ZINC000529007354 1110175389 /nfs/dbraw/zinc/17/53/89/1110175389.db2.gz DSSFCLBQXGVYQI-ZBFHGGJFSA-N -1 3 371.506 4.310 20 30 FIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1OC ZINC000041501583 1111521049 /nfs/dbraw/zinc/52/10/49/1111521049.db2.gz LXZJDYJRDFRGRH-CQSZACIVSA-N -1 3 364.426 4.360 20 30 FIEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)nc2c1 ZINC000041534199 1111608502 /nfs/dbraw/zinc/60/85/02/1111608502.db2.gz VQZZEIBWSJXJFR-HNNXBMFYSA-N -1 3 358.426 4.256 20 30 FIEDHM N#CC(=C([O-])c1ccc(F)cc1OC(F)F)c1nccc2ccccc21 ZINC000483196844 1113461911 /nfs/dbraw/zinc/46/19/11/1113461911.db2.gz KQUUTLZERSUGDP-HNNXBMFYSA-N -1 3 356.303 4.465 20 30 FIEDHM N#CC(=C([O-])c1ccc(-n2cccn2)cc1)c1nc2cc(F)ccc2s1 ZINC000592973721 1115272712 /nfs/dbraw/zinc/27/27/12/1115272712.db2.gz JLYIJRDLVUTPDG-HNNXBMFYSA-N -1 3 362.389 4.111 20 30 FIEDHM COc1ccc(C=NNc2cccc3cnccc32)c(Br)c1[O-] ZINC000761012514 1115299417 /nfs/dbraw/zinc/29/94/17/1115299417.db2.gz NQAUEAOZVYSCJB-UHFFFAOYSA-N -1 3 372.222 4.158 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(OC)c1C ZINC000046706559 1115492563 /nfs/dbraw/zinc/49/25/63/1115492563.db2.gz FBSOIDWMWZZQLZ-CYBMUJFWSA-N -1 3 352.415 4.112 20 30 FIEDHM N#CCCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000574991331 1115527693 /nfs/dbraw/zinc/52/76/93/1115527693.db2.gz VFSJHIXCBVXBGE-UHFFFAOYSA-N -1 3 350.418 4.340 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC000598097481 1115705472 /nfs/dbraw/zinc/70/54/72/1115705472.db2.gz OMIDYKGNDQBWAL-UHFFFAOYSA-N -1 3 371.525 4.272 20 30 FIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3sccc3Br)nc21 ZINC000605362365 1115891144 /nfs/dbraw/zinc/89/11/44/1115891144.db2.gz DEGRKDUKTWGKMG-SECBINFHSA-N -1 3 360.236 4.185 20 30 FIEDHM N#Cc1ccc(CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C2CC2)cc1 ZINC000541388625 1118490369 /nfs/dbraw/zinc/49/03/69/1118490369.db2.gz BLGBBQSSPBOAOL-UHFFFAOYSA-N -1 3 370.412 4.118 20 30 FIEDHM N#CC(=C([O-])c1ccccc1OC(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464460338 1118577538 /nfs/dbraw/zinc/57/75/38/1118577538.db2.gz KAOOEQKPDIGNMA-NSHDSACASA-N -1 3 356.250 4.192 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(F)c1 ZINC000493209889 1119344628 /nfs/dbraw/zinc/34/46/28/1119344628.db2.gz JSMFHOYWQGRYPE-UHFFFAOYSA-N -1 3 352.390 4.165 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1OC(F)F ZINC000177756701 1119349306 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4.463 20 30 FIEDHM COc1cc(C(=O)/C=C\c2cccc(OC)c2OC(C)C)c(OC)cc1[O-] ZINC000763105213 1121118907 /nfs/dbraw/zinc/11/89/07/1121118907.db2.gz JTNIODKVAWYZPN-KTKRTIGZSA-N -1 3 372.417 4.101 20 30 FIEDHM O=C(COc1ccc(F)cc1Cl)N([O-])CCCCc1ccccc1 ZINC001649046521 1121308871 /nfs/dbraw/zinc/30/88/71/1121308871.db2.gz XJBJLDRALSDNOK-UHFFFAOYSA-N -1 3 351.805 4.099 20 30 FIEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCN1c1ccc(Cl)c(F)c1 ZINC000763277556 1121314116 /nfs/dbraw/zinc/31/41/16/1121314116.db2.gz OYOKGGXHJZAOOW-PZEXIZOFSA-N -1 3 367.207 4.063 20 30 FIEDHM C[C@@H]1CN(Cc2ccccc2N=Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000915981576 1121362608 /nfs/dbraw/zinc/36/26/08/1121362608.db2.gz UWLIYQPWTYZDIR-HUUCEWRRSA-N -1 3 358.869 4.405 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC001649056467 1121378757 /nfs/dbraw/zinc/37/87/57/1121378757.db2.gz ATAJGANYMMJSNI-LLVKDONJSA-N -1 3 362.239 4.154 20 30 FIEDHM CCCCCCN([O-])C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001649057207 1121383201 /nfs/dbraw/zinc/38/32/01/1121383201.db2.gz SZFOWFVHYQEHSQ-UHFFFAOYSA-N -1 3 363.408 4.051 20 30 FIEDHM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2cc(Cl)ccc2[O-])C1=O ZINC000916329777 1121468724 /nfs/dbraw/zinc/46/87/24/1121468724.db2.gz WVTWLCDGAKSRHC-GOSISDBHSA-N -1 3 365.861 4.051 20 30 FIEDHM S=c1[n-]nc(SCc2ccccc2)n1N=CC=Cc1ccccc1 ZINC000916368638 1121481861 /nfs/dbraw/zinc/48/18/61/1121481861.db2.gz LBEPPFVERRLRJM-ZZTMIRKXSA-N -1 3 352.488 4.406 20 30 FIEDHM O=C(CCCc1ccc2c(c1)CC(=O)N2)N([O-])Cc1cccc2ccccc21 ZINC001649069941 1121541745 /nfs/dbraw/zinc/54/17/45/1121541745.db2.gz NCLUHSIZHODPJR-UHFFFAOYSA-N -1 3 374.440 4.075 20 30 FIEDHM Cc1c2ccccc2c(=O)oc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001649069628 1121543230 /nfs/dbraw/zinc/54/32/30/1121543230.db2.gz FOLXEKHMOMYGLS-UHFFFAOYSA-N -1 3 359.381 4.286 20 30 FIEDHM CCC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1[O-] ZINC000916581183 1121555825 /nfs/dbraw/zinc/55/58/25/1121555825.db2.gz QGQKMHAUQZULML-UHFFFAOYSA-N -1 3 364.199 4.289 20 30 FIEDHM O=C(Nc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1)c1ccccn1 ZINC000917558719 1122352822 /nfs/dbraw/zinc/35/28/22/1122352822.db2.gz WMNOPKGMVWRMSO-LPYMAVHISA-N -1 3 365.820 4.312 20 30 FIEDHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000061053015 1124708089 /nfs/dbraw/zinc/70/80/89/1124708089.db2.gz UTRWHJNEXAJISE-JTQLQIEISA-N -1 3 374.535 4.437 20 30 FIEDHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000542941628 1124938441 /nfs/dbraw/zinc/93/84/41/1124938441.db2.gz COCZVYLYIFTQBZ-HNNXBMFYSA-N -1 3 358.445 4.134 20 30 FIEDHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000091013636 1125033526 /nfs/dbraw/zinc/03/35/26/1125033526.db2.gz MYVLOJWKNCJPDU-UHFFFAOYSA-N -1 3 358.463 4.076 20 30 FIEDHM Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c([O-])c1C ZINC000436665386 568265712 /nfs/dbraw/zinc/26/57/12/568265712.db2.gz RHNYFEPOZRFKEK-UHFFFAOYSA-N -1 3 363.442 4.180 20 30 FIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1 ZINC000031721629 568336390 /nfs/dbraw/zinc/33/63/90/568336390.db2.gz XPFSVYGYIIYCLF-UHFFFAOYSA-N -1 3 352.390 4.165 20 30 FIEDHM Cc1c2cc(Br)ccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000078316945 1125500256 /nfs/dbraw/zinc/50/02/56/1125500256.db2.gz GHKDIXNTUQPKCM-ZDUSSCGKSA-N -1 3 355.191 4.389 20 30 FIEDHM Cc1csc([N-]C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c1C#N ZINC000558244130 1079673126 /nfs/dbraw/zinc/67/31/26/1079673126.db2.gz KVINFUHASRKBCH-UHFFFAOYSA-N -1 3 369.425 4.024 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(NC(=O)C3CC3)c2)s1 ZINC000430601256 1082568306 /nfs/dbraw/zinc/56/83/06/1082568306.db2.gz JFJZLXYZDOXBHU-OAHLLOKOSA-N -1 3 367.474 4.279 20 30 FIEDHM COc1ccc(C(=O)N2CCCC2)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255360340 1082798755 /nfs/dbraw/zinc/79/87/55/1082798755.db2.gz DVLVZMUHBNZKJI-UHFFFAOYSA-N -1 3 358.825 4.041 20 30 FIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1cnc(C(C)(C)C)s1 ZINC000255366873 1082822576 /nfs/dbraw/zinc/82/25/76/1082822576.db2.gz VCGKYKDTBKXDLM-CFYYFVFUSA-N -1 3 364.474 4.217 20 30 FIEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC000121560125 1083097777 /nfs/dbraw/zinc/09/77/77/1083097777.db2.gz KNAYKYHWBLBYPN-ZDUSSCGKSA-N -1 3 370.474 4.405 20 30 FIEDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000328948034 1083210450 /nfs/dbraw/zinc/21/04/50/1083210450.db2.gz KJGQOXJZRSTURW-SNVBAGLBSA-N -1 3 352.843 4.341 20 30 FIEDHM N#C[C@@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1cccc(Cl)c1Cl ZINC000121608223 1083295593 /nfs/dbraw/zinc/29/55/93/1083295593.db2.gz AGORZAGXHSQKDE-LLVKDONJSA-N -1 3 359.134 4.405 20 30 FIEDHM C=CCc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc(OC)c1OC ZINC000647375581 1083366560 /nfs/dbraw/zinc/36/65/60/1083366560.db2.gz AGJJYLQJOWJEJJ-OAHLLOKOSA-N -1 3 368.458 4.256 20 30 FIEDHM N#CC(=C([O-])c1ccc([C@@H]2CCCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647378987 1083369754 /nfs/dbraw/zinc/36/97/54/1083369754.db2.gz RHFBOBUOXHVCMN-SJORKVTESA-N -1 3 352.459 4.405 20 30 FIEDHM CCc1nc2ccc(Cl)cn2c1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379706 1083376124 /nfs/dbraw/zinc/37/61/24/1083376124.db2.gz GPOLXHDJAZPVFO-LBPRGKRZSA-N -1 3 370.865 4.374 20 30 FIEDHM O=C(Nc1ccccn1)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255718221 1083442346 /nfs/dbraw/zinc/44/23/46/1083442346.db2.gz IWCYAQIPTQXTFX-UHFFFAOYSA-N -1 3 351.793 4.444 20 30 FIEDHM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)NCC(F)(F)F ZINC000181377971 1083893925 /nfs/dbraw/zinc/89/39/25/1083893925.db2.gz NTIKMMGFWXEEJC-QMMMGPOBSA-N -1 3 368.199 4.170 20 30 FIEDHM N#CC(=C([O-])c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccn1 ZINC000046440086 1084028078 /nfs/dbraw/zinc/02/80/78/1084028078.db2.gz JNRKZTTWUARHTG-LJQANCHMSA-N -1 3 364.408 4.424 20 30 FIEDHM CCc1c(C)sc([N-]C(=O)c2ncoc2-c2ccc(OC)cc2)c1C#N ZINC000580737372 1084458582 /nfs/dbraw/zinc/45/85/82/1084458582.db2.gz ZIYLUXSFMHACQE-UHFFFAOYSA-N -1 3 367.430 4.407 20 30 FIEDHM CC[C@@H]1CCCC[C@@H]1c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000551535733 1084674513 /nfs/dbraw/zinc/67/45/13/1084674513.db2.gz GSMLBBYBNMZCQH-ZBFHGGJFSA-N -1 3 354.454 4.128 20 30 FIEDHM Cc1csc(C(C#N)=C([O-])c2cc(Br)cn2C(C)C)n1 ZINC000173898195 1084707818 /nfs/dbraw/zinc/70/78/18/1084707818.db2.gz UUSRILBFVWJBPW-LLVKDONJSA-N -1 3 352.257 4.087 20 30 FIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(COC2CCOCC2)cc1 ZINC000255902559 1085038200 /nfs/dbraw/zinc/03/82/00/1085038200.db2.gz IOFWSUBXPDWHQW-XKZIYDEJSA-N -1 3 359.853 4.360 20 30 FIEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nccc4ccccc43)c2)o1 ZINC000582521837 1085092205 /nfs/dbraw/zinc/09/22/05/1085092205.db2.gz UCGLXDPTYIPNCR-SFHVURJKSA-N -1 3 354.369 4.083 20 30 FIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])C=CSc1ccccc1 ZINC000255553994 1085767221 /nfs/dbraw/zinc/76/72/21/1085767221.db2.gz DKOIAUQJLBMLOT-QIAWRQBBSA-N -1 3 374.824 4.432 20 30 FIEDHM CCc1oc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C(=O)OC ZINC000584125594 1087180309 /nfs/dbraw/zinc/18/03/09/1087180309.db2.gz OTBNICVBPHFMPW-GFCCVEGCSA-N -1 3 372.446 4.275 20 30 FIEDHM Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c([O-])c1 ZINC000425091025 1088754916 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/nfs/dbraw/zinc/76/21/54/1101762154.db2.gz XEUSGMRHHFLIKI-NSHDSACASA-N -1 3 360.287 4.098 20 30 FIEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1cc(C(F)(F)F)ccn1 ZINC000551951518 1103805048 /nfs/dbraw/zinc/80/50/48/1103805048.db2.gz IUWSDUGMAONEDN-HNNXBMFYSA-N -1 3 358.319 4.109 20 30 FIEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000530896454 1107387250 /nfs/dbraw/zinc/38/72/50/1107387250.db2.gz UDAUXZAZDFHNDI-UHFFFAOYSA-N -1 3 362.360 4.234 20 30 FIEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1Cl ZINC000525823244 1109526913 /nfs/dbraw/zinc/52/69/13/1109526913.db2.gz SHTVSFNULUVXLX-UHFFFAOYSA-N -1 3 374.771 4.340 20 30 FIEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cc1 ZINC000525928610 1109555791 /nfs/dbraw/zinc/55/57/91/1109555791.db2.gz QYCKJJMWNYEMCX-UHFFFAOYSA-N -1 3 354.409 4.347 20 30 FIEDHM Cc1ccc([O-])c(NC(=O)c2ccccc2Sc2ccccc2C#N)n1 ZINC000447632882 1109603811 /nfs/dbraw/zinc/60/38/11/1109603811.db2.gz QNKCPQSXQNORHJ-UHFFFAOYSA-N -1 3 361.426 4.371 20 30 FIEDHM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)n1[C@H]1CCOC1 ZINC000528966023 1110161171 /nfs/dbraw/zinc/16/11/71/1110161171.db2.gz GAPACHYLOMXMSJ-HOCLYGCPSA-N -1 3 357.479 4.136 20 30 FIEDHM Cc1ccc(C)c(C(=O)c2ccccc2C([O-])=C(C#N)c2ccccn2)c1 ZINC000041482517 1111479568 /nfs/dbraw/zinc/47/95/68/1111479568.db2.gz JGNWENMJVJYNJR-HXUWFJFHSA-N -1 3 354.409 4.420 20 30 FIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000477845753 1111583672 /nfs/dbraw/zinc/58/36/72/1111583672.db2.gz HPPXRGDIMYFIJO-MRXNPFEDSA-N -1 3 360.398 4.001 20 30 FIEDHM CCOc1ncc(C([O-])=C(C#N)c2nccc3ccccc32)cc1Cl ZINC000483191953 1113463935 /nfs/dbraw/zinc/46/39/35/1113463935.db2.gz FQBSPZBCZAWKMB-HNNXBMFYSA-N -1 3 351.793 4.172 20 30 FIEDHM CN(C(=O)C1CC1)c1ccccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483208926 1113465566 /nfs/dbraw/zinc/46/55/66/1113465566.db2.gz BCPZDQHBCCDDHP-IBGZPJMESA-N -1 3 369.424 4.098 20 30 FIEDHM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nccc3ccccc32)o1 ZINC000483234361 1113468575 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COc1ccc(C=NNc2cccc3ncccc32)c(Br)c1[O-] ZINC000761011916 1115297833 /nfs/dbraw/zinc/29/78/33/1115297833.db2.gz KSODXTYQJJAJTM-UHFFFAOYSA-N -1 3 372.222 4.158 20 30 FIEDHM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccc1OC(F)F ZINC000046442396 1115356182 /nfs/dbraw/zinc/35/61/82/1115356182.db2.gz RZMSUPMQUAOKLX-NSHDSACASA-N -1 3 374.368 4.396 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CC(C)(C)CC(C)(C)C1 ZINC000598141358 1115707642 /nfs/dbraw/zinc/70/76/42/1115707642.db2.gz LJZKNIVKWOKQAE-UHFFFAOYSA-N -1 3 371.525 4.177 20 30 FIEDHM COCc1c2ccccc2oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000605363032 1115891331 /nfs/dbraw/zinc/89/13/31/1115891331.db2.gz DQHDFQPCSZJGHV-CQSZACIVSA-N -1 3 359.385 4.254 20 30 FIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Oc3ccccc3)ccn2)c1 ZINC000173968120 1116102303 /nfs/dbraw/zinc/10/23/03/1116102303.db2.gz ASQLZANLTJPWPJ-IBGZPJMESA-N -1 3 371.396 4.144 20 30 FIEDHM CCn1c2ccc(C#N)cc2nc1-c1cc([O-])c(OC)cc1Br ZINC000535358191 1116298319 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20 30 FIEDHM [O-]c1c(O)ccc(C=Nc2ccc3cc(Br)ccc3c2)c1O ZINC000763097821 1121111568 /nfs/dbraw/zinc/11/15/68/1121111568.db2.gz QOZQAHFYHGFJAM-UHFFFAOYSA-N -1 3 358.191 4.470 20 30 FIEDHM COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c(OC)cc1[O-] ZINC000763106673 1121119824 /nfs/dbraw/zinc/11/98/24/1121119824.db2.gz RDQNXILPSGKDJW-VMPITWQZSA-N -1 3 352.308 4.324 20 30 FIEDHM Cn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)c1 ZINC001649025781 1121259717 /nfs/dbraw/zinc/25/97/17/1121259717.db2.gz AQWRQZXZAUOXQI-UHFFFAOYSA-N -1 3 367.154 4.382 20 30 FIEDHM O=C(CCc1ccc(OC(F)F)cc1)N([O-])CCCCc1ccccc1 ZINC001649046434 1121305966 /nfs/dbraw/zinc/30/59/66/1121305966.db2.gz SIQAMGIRHVWFQE-UHFFFAOYSA-N -1 3 363.404 4.461 20 30 FIEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1c[nH]c2ccccc12 ZINC000916368587 1121482284 /nfs/dbraw/zinc/48/22/84/1121482284.db2.gz IMIWLRCRNXQHDW-UHFFFAOYSA-N -1 3 365.487 4.223 20 30 FIEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000130455067 1121586266 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[O-]c1ccc(Br)cc1/C=N/CCCOCCc1ccccc1 ZINC000917557492 1122361551 /nfs/dbraw/zinc/36/15/51/1122361551.db2.gz OUDUYTHJAKFDTI-XSFVSMFZSA-N -1 3 362.267 4.223 20 30 FIEDHM Cc1ncc(CO)c(/C=N/CCSCc2cccc3ccccc32)c1[O-] ZINC000920173844 1123403202 /nfs/dbraw/zinc/40/32/02/1123403202.db2.gz GPCQEZJSUZYUFZ-WSDLNYQXSA-N -1 3 366.486 4.093 20 30 FIEDHM Cc1ncc(CO)c(C=Nc2ccc(Oc3ccccc3C#N)cc2)c1[O-] ZINC000920174049 1123403212 /nfs/dbraw/zinc/40/32/12/1123403212.db2.gz JHISFYYSQSOGGS-UHFFFAOYSA-N -1 3 359.385 4.003 20 30 FIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)c1 ZINC000920275497 1123429624 /nfs/dbraw/zinc/42/96/24/1123429624.db2.gz JRZSRULYQBASDS-UHFFFAOYSA-N -1 3 371.418 4.058 20 30 FIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cn3cccn3)cc2)n1 ZINC000080453721 1123966290 /nfs/dbraw/zinc/96/62/90/1123966290.db2.gz CVIBALAEVKPVMI-INIZCTEOSA-N -1 3 350.447 4.001 20 30 FIEDHM Cc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n1C ZINC000068349332 1124190173 /nfs/dbraw/zinc/19/01/73/1124190173.db2.gz KKXWASHRIAURMB-NSHDSACASA-N -1 3 357.385 4.225 20 30 FIEDHM Cc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000131991854 1125179913 /nfs/dbraw/zinc/17/99/13/1125179913.db2.gz YKLPLKGKFYFWGU-SFHVURJKSA-N -1 3 371.396 4.144 20 30 FIEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC000481941344 568194486 /nfs/dbraw/zinc/19/44/86/568194486.db2.gz HNRHATDNNCSTCS-UHFFFAOYSA-N -1 3 374.771 4.172 20 30 FIEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000153130446 1125744270 /nfs/dbraw/zinc/74/42/70/1125744270.db2.gz TZJRRJPYSHYXCJ-ZDUSSCGKSA-N -1 3 355.463 4.448 20 30 FIEDHM O=C([N-][C@@H](C1CC1)C(F)(F)F)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001625801346 1080002167 /nfs/dbraw/zinc/00/21/67/1080002167.db2.gz URJIFKUWIZFARL-RDQDRAATSA-N -1 3 355.253 4.473 20 30 FIEDHM COc1cc(/C=C\C(=O)c2cnn(Cc3ccccc3)c2)cc(Cl)c1[O-] ZINC000255031051 1080431738 /nfs/dbraw/zinc/43/17/38/1080431738.db2.gz JZBFSGBXUSZIAX-FPLPWBNLSA-N -1 3 368.820 4.195 20 30 FIEDHM CC[C@@H](c1ccccc1)N(C)c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001167130854 1080660198 /nfs/dbraw/zinc/66/01/98/1080660198.db2.gz VJVSSMBXUGAXQK-SGPNVBEDSA-N -1 3 350.875 4.248 20 30 FIEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc2ccccc2c1 ZINC000050380671 1082072079 /nfs/dbraw/zinc/07/20/79/1082072079.db2.gz NTAVHNZJVCYNRA-UHFFFAOYSA-N -1 3 373.456 4.002 20 30 FIEDHM CC(C)c1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)c([O-])c1 ZINC001167688429 1083704746 /nfs/dbraw/zinc/70/47/46/1083704746.db2.gz BSAWTCKBHSHQTJ-MRXNPFEDSA-N -1 3 373.250 4.273 20 30 FIEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000613112204 1084362612 /nfs/dbraw/zinc/36/26/12/1084362612.db2.gz ZYVSTPQNIMUBFG-UHFFFAOYSA-N -1 3 355.246 4.283 20 30 FIEDHM Cc1ccc2nc(-c3cccnc3)cc(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000136539852 1085299951 /nfs/dbraw/zinc/29/99/51/1085299951.db2.gz APAZECSSWLWRFT-LJQANCHMSA-N -1 3 364.408 4.490 20 30 FIEDHM N#CC(=C([O-])c1ccc([C@@H]2CCCOC2)cc1)c1cnc2ccccc2n1 ZINC000583356849 1086604174 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FIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1 ZINC000178706856 1093131523 /nfs/dbraw/zinc/13/15/23/1093131523.db2.gz MDOCYGCTEMMRMW-MRXNPFEDSA-N -1 3 355.463 4.064 20 30 FIEDHM Cc1sc([N-]C(=O)c2csc(-c3ncccc3F)n2)c(C#N)c1C ZINC000512941655 1093579254 /nfs/dbraw/zinc/57/92/54/1093579254.db2.gz ZBQZAKZZXGFMRV-UHFFFAOYSA-N -1 3 358.423 4.147 20 30 FIEDHM Cc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000047376318 1093733070 /nfs/dbraw/zinc/73/30/70/1093733070.db2.gz UZSUGYCMXMCYCZ-SFHVURJKSA-N -1 3 370.387 4.358 20 30 FIEDHM Cc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cnn1-c1ccccc1 ZINC000047375882 1093733270 /nfs/dbraw/zinc/73/32/70/1093733270.db2.gz UJLOSTNNFNWFEL-GOSISDBHSA-N -1 3 352.397 4.219 20 30 FIEDHM Cn1cccc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000515541829 1098704844 /nfs/dbraw/zinc/70/48/44/1098704844.db2.gz AJAFUPILECHJEE-HIHZZFLASA-N -1 3 365.502 4.439 20 30 FIEDHM N#CCCCOc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436826035 1099352097 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CC(C)(C)c1nnc2ccc(C([O-])=C(C#N)c3nccc4ccccc43)cn21 ZINC000483212601 1113465990 /nfs/dbraw/zinc/46/59/90/1113465990.db2.gz JSTZRRBVQLQENU-QGZVFWFLSA-N -1 3 369.428 4.065 20 30 FIEDHM N#CC(=C([O-])c1c2c(nc3ccccc31)CCC2)c1cnc2ccccc2n1 ZINC000483247177 1113471440 /nfs/dbraw/zinc/47/14/40/1113471440.db2.gz WNXKVZOJLFQNHX-MRXNPFEDSA-N -1 3 364.408 4.157 20 30 FIEDHM C=CCC[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC000489693676 1114162912 /nfs/dbraw/zinc/16/29/12/1114162912.db2.gz FEHMUGBKMCRDOE-OAHLLOKOSA-N -1 3 363.417 4.038 20 30 FIEDHM Cc1csc(C(C#N)=C([O-])c2cc3ccccc3n2CC(F)(F)F)n1 ZINC000489883689 1114182204 /nfs/dbraw/zinc/18/22/04/1114182204.db2.gz JDYCAWFSWPMGNQ-GFCCVEGCSA-N -1 3 363.364 4.459 20 30 FIEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000129629555 1114548953 /nfs/dbraw/zinc/54/89/53/1114548953.db2.gz NYWFHYOODGKINS-JTQLQIEISA-N -1 3 353.230 4.325 20 30 FIEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598691029 1115746770 /nfs/dbraw/zinc/74/67/70/1115746770.db2.gz RAVRDVMUGOVSBI-MSOLQXFVSA-N -1 3 374.362 4.323 20 30 FIEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598691032 1115746800 /nfs/dbraw/zinc/74/68/00/1115746800.db2.gz RAVRDVMUGOVSBI-ROUUACIJSA-N -1 3 374.362 4.323 20 30 FIEDHM Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173964221 1116102151 /nfs/dbraw/zinc/10/21/51/1116102151.db2.gz SGJBJSQMCUXPIE-INIZCTEOSA-N -1 3 367.474 4.379 20 30 FIEDHM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)o2)cc1 ZINC000173968041 1116102543 /nfs/dbraw/zinc/10/25/43/1116102543.db2.gz CJJFTYGWIPQDEI-GOSISDBHSA-N -1 3 358.397 4.470 20 30 FIEDHM N#CC(=C([O-])c1cccc(OCc2cccc(Cl)c2)c1)c1ccncn1 ZINC000546860011 1116207132 /nfs/dbraw/zinc/20/71/32/1116207132.db2.gz XPDNCKXHJTZIQY-SFHVURJKSA-N -1 3 363.804 4.199 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCCC(C)(C)C2)no1 ZINC000535250043 1116286882 /nfs/dbraw/zinc/28/68/82/1116286882.db2.gz BPQCLFLAQFUABS-AWEZNQCLSA-N -1 3 354.454 4.128 20 30 FIEDHM N#CC(=C([O-])c1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000540362565 1118016341 /nfs/dbraw/zinc/01/63/41/1118016341.db2.gz DEACQOWVCIHRDK-LLVKDONJSA-N -1 3 374.240 4.489 20 30 FIEDHM CC(C)(C#N)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464411989 1118547334 /nfs/dbraw/zinc/54/73/34/1118547334.db2.gz PUCQAERBURQSAT-OAHLLOKOSA-N -1 3 357.335 4.392 20 30 FIEDHM Cc1sc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C#N)c1C ZINC000443817484 1118972576 /nfs/dbraw/zinc/97/25/76/1118972576.db2.gz PBLZJHLSWCWJKI-UHFFFAOYSA-N -1 3 369.324 4.416 20 30 FIEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)c(OC)cc1[O-] ZINC000763105345 1121118798 /nfs/dbraw/zinc/11/87/98/1121118798.db2.gz PCYOZBNDTSONER-FNORWQNLSA-N -1 3 354.402 4.019 20 30 FIEDHM O=C(c1cccc2c1CCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026216 1121264609 /nfs/dbraw/zinc/26/46/09/1121264609.db2.gz SWXBKHZWHIQVCV-UHFFFAOYSA-N -1 3 352.217 4.098 20 30 FIEDHM Cc1oc(-c2ccsc2)nc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001649051742 1121335657 /nfs/dbraw/zinc/33/56/57/1121335657.db2.gz FDWVJNPPSJCRMJ-UHFFFAOYSA-N -1 3 370.474 4.495 20 30 FIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cc(F)cc(F)c1 ZINC000130450140 1121353292 /nfs/dbraw/zinc/35/32/92/1121353292.db2.gz UQTSUPNTFVDAID-CQSZACIVSA-N -1 3 369.154 4.233 20 30 FIEDHM Cc1ncc(CO)c(C=Nc2ccc(N(C)C3CCCCC3)c(F)c2)c1[O-] ZINC000915982741 1121363411 /nfs/dbraw/zinc/36/34/11/1121363411.db2.gz AMMVNFVBRCCKJB-UHFFFAOYSA-N -1 3 371.456 4.247 20 30 FIEDHM CC(=NNCc1cccc2cccnc21)c1cc(Br)ccc1[O-] ZINC000915963425 1121365159 /nfs/dbraw/zinc/36/51/59/1121365159.db2.gz WRNSZWIZDFIVIF-UHFFFAOYSA-N -1 3 370.250 4.217 20 30 FIEDHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001649056882 1121380865 /nfs/dbraw/zinc/38/08/65/1121380865.db2.gz KBRNQULDXNFHAP-LBPRGKRZSA-N -1 3 373.280 4.144 20 30 FIEDHM COc1cc(/C=C\C(=O)c2cccc(F)c2)cc(Br)c1[O-] ZINC000916134677 1121423278 /nfs/dbraw/zinc/42/32/78/1121423278.db2.gz WCAVJUXTQSPSCC-WAYWQWQTSA-N -1 3 351.171 4.199 20 30 FIEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ncc(-c2ccccc2)cn1 ZINC000763361345 1121443415 /nfs/dbraw/zinc/44/34/15/1121443415.db2.gz JKYWFINBDYIHNT-AWQFTUOYSA-N -1 3 368.234 4.231 20 30 FIEDHM CC(C)C(=O)Nc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC001649069642 1121543067 /nfs/dbraw/zinc/54/30/67/1121543067.db2.gz GBAMBSGUHLYXBY-UHFFFAOYSA-N -1 3 362.429 4.466 20 30 FIEDHM Cc1nc(NCc2cc(Cl)c3cccnc3c2[O-])c(C#N)c(C)c1C ZINC001168522461 1122006138 /nfs/dbraw/zinc/00/61/38/1122006138.db2.gz RTWSEAQJARPOQK-UHFFFAOYSA-N -1 3 352.825 4.398 20 30 FIEDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000499397867 1122224722 /nfs/dbraw/zinc/22/47/22/1122224722.db2.gz PLKOFAHJRXYLHF-UHFFFAOYSA-N -1 3 372.306 4.188 20 30 FIEDHM [O-]c1c(O)ccc(C=Nc2cccc(OCc3cccc(F)c3)c2)c1O ZINC000917558004 1122352382 /nfs/dbraw/zinc/35/23/82/1122352382.db2.gz YVFIQVWBSWXYAT-UHFFFAOYSA-N -1 3 353.349 4.272 20 30 FIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000920041104 1123320120 /nfs/dbraw/zinc/32/01/20/1123320120.db2.gz SJEBJYYYCNYJFJ-LPHOPBHVSA-N -1 3 371.525 4.177 20 30 FIEDHM Cc1nc(-c2ccccc2)sc1[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000920175408 1123403949 /nfs/dbraw/zinc/40/39/49/1123403949.db2.gz WOFGXXYBQVLBKS-HKXVIOCSSA-N -1 3 367.474 4.200 20 30 FIEDHM COc1cc(C)c(N=Cc2cc(Br)ccc2[O-])cc1OC ZINC000920943395 1123540057 /nfs/dbraw/zinc/54/00/57/1123540057.db2.gz XPMJKXKAPLWVCK-UHFFFAOYSA-N -1 3 350.212 4.231 20 30 FIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080449467 1123965688 /nfs/dbraw/zinc/96/56/88/1123965688.db2.gz LPNGRZHNXOZWII-AWEZNQCLSA-N -1 3 356.447 4.330 20 30 FIEDHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000067910153 1123987708 /nfs/dbraw/zinc/98/77/08/1123987708.db2.gz REXNSIUBVWOFHQ-UHFFFAOYSA-N -1 3 368.359 4.366 20 30 FIEDHM O=C(CCc1cccc(OC2CCCC2)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000067910153 1123987709 /nfs/dbraw/zinc/98/77/09/1123987709.db2.gz REXNSIUBVWOFHQ-UHFFFAOYSA-N -1 3 368.359 4.366 20 30 FIEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccc(Cl)nc1 ZINC000179784719 1124075532 /nfs/dbraw/zinc/07/55/32/1124075532.db2.gz HKQUBSMEGOENDY-VFADXPBXSA-N -1 3 363.804 4.130 20 30 FIEDHM COc1c(C#N)c(F)ccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168526024 1124968369 /nfs/dbraw/zinc/96/83/69/1124968369.db2.gz PVLGFIHMWMBHKP-UHFFFAOYSA-N -1 3 357.772 4.225 20 30 FIEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436575030 567915517 /nfs/dbraw/zinc/91/55/17/567915517.db2.gz LVIMCLSUOOAZSN-UHFFFAOYSA-N -1 3 356.425 4.127 20 30 FIEDHM COc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc2ccccc21 ZINC000604005475 568195872 /nfs/dbraw/zinc/19/58/72/568195872.db2.gz WICHIHLFGAHVCQ-KRWDZBQOSA-N -1 3 353.381 4.282 20 30 FIEDHM COc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1[O-] ZINC000436676741 568289492 /nfs/dbraw/zinc/28/94/92/568289492.db2.gz SOAXMTCKWXAVSB-UHFFFAOYSA-N -1 3 360.369 4.317 20 30 FIEDHM CC1(C)Cc2cccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2O1 ZINC000654996432 1079830756 /nfs/dbraw/zinc/83/07/56/1079830756.db2.gz USZDBKGPIZEHJK-CQSZACIVSA-N -1 3 360.335 4.304 20 30 FIEDHM CC(C)S(=O)(=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255107848 1081189729 /nfs/dbraw/zinc/18/97/29/1081189729.db2.gz CUFMGUPUTAAGJL-UHFFFAOYSA-N -1 3 351.855 4.119 20 30 FIEDHM CC(C)(c1nnc([N-]C(=O)c2cc(C#N)cs2)s1)c1ccccc1 ZINC000084108564 1082601008 /nfs/dbraw/zinc/60/10/08/1082601008.db2.gz HDPGNPXAUQVFPT-UHFFFAOYSA-N -1 3 354.460 4.049 20 30 FIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(-n3cccn3)c2)s1 ZINC000430606811 1082606102 /nfs/dbraw/zinc/60/61/02/1082606102.db2.gz ATTVULUZMPTBGT-OAHLLOKOSA-N -1 3 350.447 4.116 20 30 FIEDHM N#C[C@@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000121612337 1083297186 /nfs/dbraw/zinc/29/71/86/1083297186.db2.gz MGWZRUQLMOQJPM-GFCCVEGCSA-N -1 3 359.134 4.405 20 30 FIEDHM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1-c1nc2ccccc2s1 ZINC000431194835 1083486864 /nfs/dbraw/zinc/48/68/64/1083486864.db2.gz VNYSNJUIDMBSPU-UHFFFAOYSA-N -1 3 362.451 4.420 20 30 FIEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000066544171 1084643036 /nfs/dbraw/zinc/64/30/36/1084643036.db2.gz XNPNPWJDIOZDSE-KRWDZBQOSA-N -1 3 364.426 4.317 20 30 FIEDHM C=CC[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000661379686 1085543970 /nfs/dbraw/zinc/54/39/70/1085543970.db2.gz GMOSNLQOAJPOOW-ZDUSSCGKSA-N -1 3 355.463 4.445 20 30 FIEDHM N#CC(=C([O-])c1ccc(Cl)c2ncccc12)c1cnc2ccccc2n1 ZINC000549572460 1085835835 /nfs/dbraw/zinc/83/58/35/1085835835.db2.gz UERJELJLHGARLF-AWEZNQCLSA-N -1 3 358.788 4.321 20 30 FIEDHM [O-]c1c(Cl)cc(Cl)cc1/C=N\C1CCN(Cc2ccncc2)CC1 ZINC000255569600 1086773495 /nfs/dbraw/zinc/77/34/95/1086773495.db2.gz JHGQRKVMLSMTMF-JJFYIABZSA-N -1 3 364.276 4.178 20 30 FIEDHM O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([O-])c2ccccc2c1 ZINC000329521284 1087007534 /nfs/dbraw/zinc/00/75/34/1087007534.db2.gz OUBBJAMSKQMADG-GOSISDBHSA-N -1 3 366.461 4.031 20 30 FIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161954220 1087060326 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